19  8.31441  0
     O         SI        TI        AL        FE        MG        MN
     CA        NA        K         H         C         CL        NI
     ZR        S         CU        CR        E
  15.99940  28.08550  47.86700  26.98154  55.84500  24.30500  54.93805  
  40.07800  22.98977  39.09830   1.00794  12.01070  35.45300  58.69340  
  91.22400  32.06500  63.54600  51.9961    1.00000
   0.0       2.0       2.0       1.5       1.0       1.0       1.0
   1.0       0.5       0.5       0.5       2.0       0.0       0.0
   2.0       0.0       1.0       1.5       0.0

 Holland & Powell (2011) database, ver. ds62 with file comment
 tc-ds62.txt produced at 20.08 on Mon 6 Feb,2012 (sigfit =  1.028);
 256 species version


 File version 05: 2022-03-11

 FILE UPDATES/ADDITIONS
 ver 01: Sun 11 Apr 2021 19:33:10. dkt
 ver 02: Sat 17 Apr 2021. dkt
   -Added critical constants for CO2, CH4, CO, O2, H2, S2, H2S
   -Added FLUID3 COHS fluid model of Evans, Powell & Holland, 2010 JMG.
   -Added PO   model - Fe1-xS/FeS mixing, ref 0 supplemental appendix
   -Added STLP model - Fe-Mg stilpnomelane, ref 0 supplemental appendix
   -Added MIN  model - Fe-Mg minnesotaite, ref 0 supplemental appendix
   -Added PREH model - Fe-Mg prehnite, ref 0 supplemental appendix
 ver 03: Sat 15 May 2021. dkt
   -Added additional critical constants from Reid '87 4th ed.
 ver 04: Sun 13 Dec 2021. dkt 
   -Added feldspar models of Holland et al. (2021; JMG); models 4TR 
    and the plag model that goes with it to allow prediction of a
    peristerite-like gap at lower T. Thank you.
  ver 05: Fri 11 Mar 2022. dkt
   -Corrected phase components in PL4TR and ABGHP from abh to ab, based
    on tc-mp50MnNCKFMASHTO.txt (23-01-2022) models from the HPXeos site.
 

 Converted to Theriak-Domino format by D.K. Tinkham (dsaxcnvrt.wl) on 
 Sun 11 Apr 2021 19:33:10

 ----------------------------------------------------------------------------------------
 Original Data Source:
 The data come from files tc-mp50MnNCKFMASHTO.txt and tc-ds62.txt 
 obtained from the hpxeos website at: https://hpxeosandthermocalc.org
 That distribution was dated 2020-12-29. The AX and DS file are from the 
 zip distribution 'tc-thermoinput-metapelite-2019-12-12-2.zip'
 See FILE UPDATES/ADDITIONS above for changes/additions to the original
 data from the HPx-eos website file. FSP4TR and ABHGP were updated on 
 2022-03-11 to match the models appearring in the 2022-01-23 HPXeos files.

 AX Model References:
 See citation in comments of each ax model for activity model source.
 
 General Notes:
 This file should only be used with a version of Theriak-Domino
 posted after Aug. XX, 2020, on Christian de Capitani's THERIAK-DOMINO 
 website (http://titan.minpet.unibas.ch/minpet/theriak/theruser.html).
 Please read the official manual for THERIAK-DOMINO that ships with the
 program before proceeding.
 
 Each pure phase is from file tc-ds62.txt unless otherwise stated. Some
 pure phases have had a number or - appended to their name if they were
 'made' from other phases and/or had a dqf term applied and/or had
 properties adjusted by removing the landua or Bragg-Williams reference
 state contributions. Some a-x models have new members made that are not 
 part of the Holland & Powell dataset file, and references for them are 
 the same as for the a-x model itself.

 Note that various data and models are made inactive by using *** MuNERAL, 
 GuS, SuLUTION, MuRGULES. You can  correct the spelling to activate what 
 you need.

 Please report any errors found in this file to dtinkham@laurentian.ca
 so I can fix them in my files.
 ----------------------------------------------------------------------------------------
 
 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
 REFERENCES
 ref -3: White, RW, Powell, R, Holland, TJB & Worley, BA (2000) The effect of TiO2 and
         Fe2O3 on metapelitic assemblages at greenschist and amphibolite facies
         conditions: mineral equilibria calculations in the system K2O-FeO-MgO-Al2O3
         -SiO2-H2O-TiO2-Fe2O3. Journal of Metamorphic Geology, 18, 497-511.
 ref -2: White, RW, Powell, R & Clarke, GL (2002) The interpretation of reaction textures
         in Fe-rich metapelitic granulites of the Musgrave Block, central Australia:
         constraints from mineral equilibria calculations in the system K2O-FeO-MgO
         -Al2O3-SiO2-H2O-TiO2-Fe2O3. Journal of Metamorphic Geology, 20, 41-55.
 ref -1: Holland, T. & Powell, R. (2003). Activity-composition relations for phases
         in petrological calculations; an asymmetric multicomponent formulation.
         Contributions to Mineralogy and Petrology 145, 492-501.
         doi: 10.1007/s00410-003-0464-z
 ref 0:  Holland, T.J.B & Powell, R., 2011. An improved and extended internally
         consistent thermodynamic dataset for phases of petrological interest,
         involving a new equation of state for solids. Journal of Metamorphic
         Geology, 29, 333-383. The file used for conversion of this database is
         tcds62.txt, obtained from the THERMOCALC website in 2015.
 ref 1:  Green, E.C.R., Holland, T.J.B., Powell, R. & White, R.W. 2012. Garnet
         and spinel lherzolite assemblages in MgO-Al2O3-SiO2 and CaO-MgO-Al2O3-
         SiO2: thermodynamic models and an experimental conflict. Journal of
         Metamorphic Geology, 30, 561-577.
 ref 2:  Holland, T.J.B., Hudson, N.F.C., Powell, R. & Harte, B., 2013. New
         thermodynamic models and calculated phase equilibria in NCFMAS for
         basic and ultrabasic compositions through the transition zone into
         the uppermost lower mantle. Journal of Petrology, 54, 1901-1920.
 ref 3:  Powell, R., White, R.W., Green, E.C.R., Holland, T.J.B., & Diener, J.F.A.,
         2014. On parameterising thermodynamic descriptions of minerals for
         petrological calculations. Journal of Metamorphic Geology, 32, 245-260.
         calculations in metapelitic systems. Journal of Metamorphic Geology, 32,
         261-286.
 ref 4:  White, R.W., Powell, R., Holland, T.J.B., Johnson, T.E. & Green, E.C.R.,
         2014. New mineral activity-composition relations for thermodynamic
         calculations in metapelitic systems. Journal of Metamorphic Geology, 32,
         261-286.
 ref 5:  White, R.W., Powell, R. & Johnson, T.E., 2014. The effect of Mn
         on mineral stability in metapelites revisited: new a-x relations
         for manganese-bearing minerals. Journal of Metamorphic Geology,
         32, 809-828.
 ref 6:  Jennings, E.S. & Holland, T.J.B, 2015. A simple thermodynamic model for
         melting of peridotite in the system NCFMASOCr. Journal of Petrology,
         v. 56, no. 5, 869-892.
 ref 7:  Green, E.C.R., White, R.W., Diener, J.F.A., Powell, R., Holland, T.J.B. &
         Palin, R.M., 2016. Activity-composition relations for the calculation of
         partial melting equilibria in metabasic rocks.  Journal of Metamorphic
         Geology, v. 34, 845-869. doi:10.1111/jmg.12211
 ref 8:  Palin, R.M., White, R.W., Green, E.C.R., Diener, J.F.A., Powell, R. &
         Holland, T.J.B., 2016. High-grade metamorphism and partial melting of
         basic and intermediate rocks. Journal of Metamorphic Geology, v. 34,
         871-892. doi:10.1111/jmg.12212
 ref 9:  Holland, TJB, Green, ECR & Powell, R (2018). Melting of peridotites
         through to granites: a simple thermodynamic model in the system
         KNCFMASHTOCr. Journal of Petrology v. 59, 881-900.
         doi: 10.1093/petrology/egy048.
 ref 10: Wheller, CJ & Powell, R (2014). A new thermodynamic model for sapphirine:
         calculated phase equilibria in K2O-FeO-MgO-Al2O3-SiO2-H2O-TiO2-Fe2O3.
         Journal of Metamorphic Geology, 32, 287-299.
 ref 11: Shi, P & Saxena, SK (1992). Thermodynamic modeling of the C-H-O-S fluid
         system. American Mineralogist, v. 77, 1083-1049.
 ref 12: Reid, RC, Prausnitz, JM & Poling, BE (1987). The Properties of Gases and
         Liquids. 4th ed. McGraw-Hill, Inc. 742pp.
 ref 13: Evans, KA, Powell, R, & Holland, TJ (2010). Internally consistent data for 
         sulphur-bearing phases and application to the construction of pseudosections
         for mafic greenschist facies rocks in Na2O-CaO-K2O-FeO-MgO-Al2O3-SiO2-CO2
         -O-S-H2O. Journal of Metamorphic Geology, v. 28, 667-687.
 ref 14: Holland, T.J.B., Green, E., & Powell, R. (2021 online). A thermodynamic model 
         for feldspars in KAlSi3O8-NaAlSi3O8-CaAl2Si2O8 for mineral equilibrium  
         calculations. Journal of Metamorphic Geology, v. XX, XXX-XXX. 
         doi:10.1111/jmg.12639
 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
 



!=========================================================================================
! The following are pure phases to be considered in calculations. Only a subset is
! considered here. The full HP 2011 dataset from file tc-ds62.txt is included at 
! the bottom of the file for you, but is currently deactivated. Copy/paste members to 
! this section if you want. Dataset members that occur as phase components of solutions
! are further below and appear right before each solution mixing model. The activated 
! members are more-or-less suitable for amphibolite to lower granulite facies metamorphism
! of metapelites. For lower/middle greenschist, blueschist, and eclogite facies 
! assemblages, you will want to activate additional members and add suitable solution
! models.
!
! Change GAS DATA to MINERAL DATA if you want the volume of gas species listed with solid 
! phases in the output listing
!
*** GAS DATA ***  
!--
H2O                   H(2)O(1)                                H2O           code
 SPC   PS94H2O
 ST              0.0      -241810.0          188.8            0.0
 C3             40.1       0.008656       487500.0         -251.2           0.00
 !CS1         0.2212          647.3       ! Reid et al. 1987, 4th ed.; kbar, K
!--
CO2                   C(1)O(2)                                CO2           code
 SPC   PS94CO2
 ST              0.0      -393510.0          213.7            0.0
 C3             87.8      -0.002644       706400.0         -998.9           0.00
 !CS1         0.0738          304.1       ! Reid et al.  1987, 4th ed.; kbar, K
!--
*** GuS DATA ***  
CO                    C(1)O(1)                                 CO           code
 ST              0.0      -110530.0         197.67            0.0
 C3             45.7      -0.000097       662700.0         -414.7           0.00
 !CS1       0.034987          132.9  ! not HP '91 value
 !CS1      0.0349571         133.15  ! Shi & Saxena, 1992; kbar, K
 CS1          0.0350          132.9  ! Holland & Powell, 1991; kbar, K; same as Reid et al.  1987, 4th ed.
!--
CH4                   C(1)H(4)                                CH4           code
 ST              0.0       -74810.0         186.26            0.0
 C3            150.1       0.002063      3427700.0        -2650.4           0.00
 CS1          0.0460          190.6  ! Holland & Powell, 1991; kbar, k
 !CS1         0.0460          190.4  ! Reid et al.  1987, 4th ed; kbar, k
 !CS1      0.0464069         191.05  ! Shi & Saxena, 1992; kbar, K
!--
O2                    O(2)                                     O2           code
 ST              0.0            0.0          205.2            0.0
 C3             48.3      -0.000691       499200.0         -420.7           0.00
 !CS1      0.0507638        154.750   ! Shi & Saxena, 1992; kbar, K
 CS1          0.0504          154.6   ! Reid 1987 et al.  4th ed.; kbar, K
!--
H2                    H(2)                                     H2           code
 ST              0.0            0.0          130.7            0.0
 C3             23.3       0.004627            0.0           76.3           0.00
 CS1          0.0211           41.2  ! Holland & Powell, 1991; kbar, k
 !CS1      0.0129696          33.25  ! Shi & Saxena, 1992; kbar, K
 !CS1         0.0129           33.0  ! Reid 1987 et al.  4th ed.; kbar, K; H2 (equilibrium)
 !CS1         0.0130           33.2  ! Reid 1987 et al.  4th ed.; kbar, K; H2 (normal)
!--
S2                    S(2)                                     S2           code
 ST              0.0       128540.0          231.0            0.0
 C3             37.1       0.002398      -161000.0          -65.0           0.00
 !CS1       0.083000        259.600  ! Source??
 CS1        0.072954         208.15  ! Shi & Saxena, 1992; kbar, K
!--
H2S                   S(1)H(2)                                H2S           code
 ST              0.0       -20300.0         205.77            0.0
 C3             47.4        0.01024       615900.0         -397.8           0.00
 !CS1       0.089200        373.200  ! 
 CS1          0.0894          373.2  ! Reid et al.  1987, 4th ed.; kbar, K;
 !CS1      0.0900779         373.55  ! Shi & Saxena, 1992; kbar, K
*** MINERAL DATA ***
and                   AL(2)SI(1)O(5)                          and           code
 ST              0.0     -2588670.0           92.7          5.153
 C3            277.3      -0.006588     -1914100.0        -2265.6           0.00
 V11       0.0000181         1442.0           6.89        -0.0048           0.00
ky                    AL(2)SI(1)O(5)                           ky           code
 ST              0.0     -2592970.0           83.5          4.414
 C3            279.4      -0.007124     -2055600.0        -2289.4           0.00
 V11       0.0000192         1601.0           4.05        -0.0025           0.00
sill                  AL(2)SI(1)O(5)                         sill           code
 ST              0.0     -2585790.0           95.4          4.986
 C3            280.2        -0.0069     -1375700.0        -2399.4           0.00
 V11       0.0000112         1640.0           5.06        -0.0031           2.00
 BW1          4750.0           0.01         4750.0           0.01            1.0           0.25
prl                   AL(2)SI(4)H(2)O(12)                     prl           code
 ST              0.0     -5640610.0          239.0         12.804
 C3            784.5      -0.042948      1251000.0        -8495.9           0.00
 V11        0.000045          370.0           10.0        -0.0271           0.00
kao                   AL(2)SI(2)H(4)O(9)                      kao           code
 ST              0.0     -4122000.0          203.7          9.934
 C3            436.7      -0.034295     -4055900.0        -2699.1           0.00
 V11       0.0000251          645.0           4.12        -0.0064           0.00
q                     SI(1)O(2)                                 q           code
 ST              0.0      -910720.0          41.43          2.269
 C3             92.9      -0.000642      -714900.0         -716.1           0.00
 V11             0.0          730.0            6.0        -0.0082           1.00
 LA1             847           4.95         0.1188
trd                   SI(1)O(2)                               trd           code
 ST              0.0      -907110.0           44.1            2.8
 C3             74.9         0.0031     -1174000.0         -236.7           0.00
 V11             0.0          150.0           4.36        -0.0291           0.00
crst                  SI(1)O(2)                              crst           code
 ST              0.0      -904270.0          50.86          2.745
 C3             72.7       0.001304     -4129000.0            0.0           0.00
 V11             0.0          160.0           4.35        -0.0272           0.00
coe                   SI(1)O(2)                               coe           code
 ST              0.0      -907000.0           39.6          2.064
 C3            107.8      -0.003279      -190300.0        -1041.6           0.00
 V11       0.0000123          979.0           4.19        -0.0043           0.00
stv                   SI(1)O(2)                               stv           code
 ST              0.0      -876390.0           24.0          1.401
 C3             68.1        0.00601     -1978200.0          -82.1           0.00
 V11       0.0000158         3090.0            4.6        -0.0015           0.00
ne                    NA(1)AL(1)SI(1)O(4)                      ne           code
 ST              0.0     -2094560.0          124.4          5.419
 C3            272.7      -0.012398            0.0        -2763.1           0.00
 V11       0.0000463          465.0           4.16        -0.0089           1.00
 LA1             467           10.0           0.08
sph                   CA(1)TI(1)SI(1)O(5)                     sph           code
 ST              0.0     -2601660.0          124.0          5.565
 C3            227.9       0.002924     -3539500.0         -894.3           0.00
 V11       0.0000158         1017.0           9.85        -0.0097           1.00
 LA1             485            0.4          0.005
ru                    TI(1)O(2)                                ru           code
 ST              0.0      -944360.0           50.5          1.882
 C3             90.4         0.0029            0.0         -623.8           0.00
 V11       0.0000224         2220.0           4.24        -0.0019           0.00
per                   MG(1)O(1)                               per           code
 ST              0.0      -601530.0           26.5          1.125
 C3             60.5       0.000362      -535800.0         -299.2           0.00
 V11       0.0000311         1616.0           3.95        -0.0024           0.00
mang                  MN(1)O(1)                              mang           code
 ST              0.0      -385550.0           59.7          1.322
 C3             59.8         0.0036       -31400.0         -282.6           0.00
 V11       0.0000369         1645.0           4.46        -0.0027           0.00
cor                   AL(2)O(3)                               cor           code
 ST              0.0     -1675270.0           50.9          2.558
 C3            139.5        0.00589     -2460600.0         -589.2           0.00
 V11        0.000018         2540.0           4.34        -0.0017           0.00
law                   CA(1)AL(2)SI(2)H(4)O(10)                law           code
 ST              0.0     -4868630.0          229.0         10.132
 C3            687.8       0.001566       375900.0        -7179.2           0.00
 V11       0.0000265         1229.0           5.45        -0.0044           0.00
fstp           K(0.5)FE(5)AL(2)SI(8)H(12.5)O(30.5)           fstp           code
 ST              0.0    -1.255107e7          930.2         37.239
 C3           1944.3      -0.012289     -4840200.0       -16635.0           0.00
 V11       0.0000368          513.0           7.33        -0.0143           0.00
mstp           K(0.5)MG(5)AL(2)SI(8)H(12.5)O(30.5)           mstp           code
 ST              0.0    -1.428838e7          847.4         36.577
 C3           1862.2      -0.014018     -8983100.0       -14923.0           0.00
 V11       0.0000371          513.0           7.33        -0.0143           0.00
pre                   CA(2)AL(2)SI(3)H(2)O(12)                pre           code
 ST              0.0     -6202170.0          292.8         14.026
 C3            724.9      -0.013865     -2059000.0        -6323.9           0.00
 V11       0.0000158         1093.0           4.01        -0.0037           0.00
*** MINERAL DATA *** F3
fpre                  CA(2)FE(1)AL(1)SI(3)H(2)O(12)          fpre           code
 ST              0.0     -5766640.0          320.0           14.8
 C3            737.1       -0.01681     -1957300.0        -6358.1           0.00
 V11       0.0000158         1093.0           4.01        -0.0037           0.00
*** MINERAL DATA ***
minn                  FE(3)SI(4)H(2)O(12)                    minn           code
 ST              0.0     -4819310.0          355.0         14.851
 C3            579.7       0.039494     -6459300.0        -3088.1           0.00
 V11        0.000018          430.0           6.17        -0.0144           0.00
minm                  MG(3)SI(4)H(2)O(12)                    minm           code
 ST              0.0     -5866000.0          263.9         14.291
 C3            622.2            0.0     -6385500.0        -3916.3           0.00
 V11        0.000018          430.0           6.17        -0.0144           0.00
mpm                   CA(4)MG(1)AL(5)SI(6)H(7)O(28)           mpm           code
 ST              0.0    -1.438691e7          629.0          29.55
 C3           1720.8      -0.024928     -5998700.0       -14620.3           0.00
 V11       0.0000248         1615.0           4.05        -0.0025           0.00
fpm                   CA(4)FE(1)AL(5)SI(6)H(7)O(28)           fpm           code
 ST              0.0    -1.403404e7          657.0          29.68
 C3           1737.2      -0.024582     -5161100.0       -14963.0           0.00
 V11       0.0000249         1615.0           4.05        -0.0025           0.00
*** MINERAL DATA *** F3
jgd                   CA(4)FE(6)SI(6)H(7)O(28)                jgd           code
 ST              0.0    -1.180896e7          830.0          31.08
 C3           1795.4      -0.037986     -4455700.0       -14888.0           0.00
 V11       0.0000249         1615.0           4.05        -0.0025           0.00
*** MINERAL DATA ***
!
!
!Activating microcline works to give a K-feldspar phase in greenschist facies assemblages,
!  which can be nice, but it can also dispace biotite-in to somewhat higher T's than you 
!  may like, at least for some bulk compositions. It can also be predicted as a stable phase
!  at melting conditions, suppressing? the predition of a K-rich feldspar solid solution that
!  is generally the preferred prediction. Thus, you may need to calculate the high-T end of
!  your section separately from the low-T portion if you want microcline at low-T and 
!  K-rich solid solution at high-T. Investigate feldspar and melt predictions as other
!  scenarios may occur!
!
***  MuNERAL DATA  *** 
mic                   K(1)AL(1)SI(3)O(8)                      mic           code
 ST              0.0     -3975350.0          214.3         10.871
 C3            448.8      -0.010075     -1007300.0        -3973.1           0.00
 V11       0.0000166          583.0           4.02        -0.0069           0.00
!
!
!cz is the member used in the EP11 solution model (no dqf). Sometimes you will want 
!  zo activated also.
***  MINERAL DATA  ***
zo                    CA(2)AL(3)SI(3)H(1)O(13)                 zo           code
 ST              0.0     -6896290.0          298.0         13.575
 C3            662.0       0.010416     -6006400.0        -4260.7           0.00
 V11       0.0000312         1044.0            4.0        -0.0038           0.00
!=========================================================================================
!=========================================================================================
***  MINERAL DATA  ***  S 
S                     S(1)                                      S           code
 ST              0.0            0.0          32.05          1.551
 C3             56.6      -0.004557       638000.0         -681.8           0.00
 V11        0.000064          145.0            7.0         -0.048           0.00
pyr                   FE(1)S(2)                               pyr           code
 ST              0.0      -171640.0           52.9          2.394
 C3             37.3       0.026715     -1817000.0          649.3           0.00
 V11        0.000031         1395.0           4.09        -0.0029           0.00
trot                  FE(1)S(1)                              trot           code
 ST              0.0       -99030.0           65.5          1.819
 C3             50.2       0.011052      -940000.0            0.0           0.00
 V11       0.0000568          658.0           4.17        -0.0063           1.00
 LA1             598           12.0          0.041
!tro                   FE(1)S(1)                               tro           code
! ST              0.0       -97760.0           70.8          1.819
! C3             50.2       0.011052      -940000.0            0.0           0.00
! V11       0.0000573          658.0           4.17        -0.0063           1.00
! LA1             598           12.0          0.041
!lot                   FE(1)S(1)                               lot           code
! ST              0.0      -102160.0           60.0          1.818
! C3             50.2       0.011052      -940000.0            0.0           0.00
! V11       0.0000493          658.0           4.17        -0.0063           1.00
! LA1             420           10.0            0.0
trov                  FE(0.875)S(1)                          trov           code
 ST              0.0       -96020.0           57.5          1.738
 C3             51.1       0.008307      -669700.0            0.0           0.00
 V11       0.0000594          658.0           4.17        -0.0063           1.00
 LA1             595           10.0          0.016
any                   CA(1)S(1)O(4)                           any           code
 ST              0.0     -1434400.0          106.9          4.594
 C3            128.7       0.048545     -1223000.0         -560.5           0.00
 V11       0.0000418          543.8           4.19        -0.0077           0.00
!=========================================================================================
!=========================================================================================
***  MINERAL DATA  ***  C 
gph                   C(1)                                    gph           code
 ST              0.0            0.0           5.76           0.53
 C3             34.3            0.0      -240700.0         -403.8           0.00
 V11       0.0000165          312.0            3.9        -0.0125           0.00
diam                  C(1)                                   diam           code
 ST              0.0         1890.0           2.36          0.342
 C3             40.0            0.0       -28500.0         -580.5           0.00
 V11        0.000004         4465.0           1.61       -0.00036           0.00
spu                   CA(5)SI(2)C(1)O(11)                     spu           code
 ST              0.0     -5846720.0          332.0         14.697
 C3            614.1      -0.003508     -2493100.0        -4168.0           0.00
 V11        0.000034          950.0           4.09        -0.0043           0.00
ty                    CA(5)SI(2)C(2)O(13)                      ty           code
 ST              0.0     -6368040.0          390.0         17.039
 C3            741.7      -0.005345     -1434600.0        -5878.5           0.00
 V11       0.0000342          950.0           4.09        -0.0043           0.00
me                    CA(4)AL(6)SI(6)C(1)O(27)                 me           code
 ST              0.0    -1.384182e7          752.0         33.985
 C3           1359.0       0.036442     -8594700.0        -9598.2           0.00
 V11       0.0000181          870.0           4.09        -0.0047           0.00
cc                    CA(1)C(1)O(3)                            cc           code
 ST              0.0     -1207760.0           92.5          3.689
 C3            140.9       0.005029      -950700.0         -858.4           0.00
 V11       0.0000252          733.0           4.06        -0.0055           1.00
 LA1            1240           10.0           0.04
arag                  CA(1)C(1)O(3)                          arag           code
 ST              0.0     -1207650.0           89.8          3.415
 C3            167.1       0.010695       162000.0        -1564.9           0.00
 V11       0.0000614          614.0           5.87        -0.0096           0.00
mag                   MG(1)C(1)O(3)                           mag           code
 ST              0.0     -1110920.0           65.5          2.803
 C3            186.4      -0.003772            0.0        -1886.2           0.00
 V11       0.0000338         1028.0           5.41        -0.0053           0.00
sid                   FE(1)C(1)O(3)                           sid           code
 ST              0.0      -762220.0           93.3          2.943
 C3            168.4            0.0            0.0        -1483.6           0.00
 V11       0.0000439         1200.0           4.07        -0.0034           0.00
rhc                   MN(1)C(1)O(3)                           rhc           code
 ST              0.0      -892280.0           98.0          3.107
 C3            169.5            0.0            0.0        -1534.3           0.00
 V11       0.0000244          953.0           3.88        -0.0041           0.00
dol                   CA(1)MG(1)C(2)O(6)                      dol           code
 ST              0.0     -2326220.0          156.1          6.429
 C3            358.9      -0.004905            0.0        -3456.2           0.00
 V11       0.0000328          943.0           3.74         -0.004           2.00
 BW1         11910.0          0.016        11900.0          0.016            1.0            1.0
ank                   CA(1)FE(1)C(2)O(6)                      ank           code
 ST              0.0     -1971410.0         188.46          6.606
 C3            341.0      -0.001161            0.0        -3054.8           0.00
 V11       0.0000346          914.0           3.88        -0.0043           2.00
 BW1         11910.0          0.016        11900.0          0.016            1.0            1.0
!=========================================================================================
!=========================================================================================
***  MINERAL DATA  ***  Other elements/oxides
!iron                  FE(1)                                  iron           code
! ST              0.0            0.0          27.09          0.709
! C3             46.2       0.005159       723100.0         -556.2           0.00
! V11       0.0000356         1640.0           5.16        -0.0031           1.00
! LA1            1042            8.3            0.0
Ni                    NI(1)                                    Ni           code
 ST              0.0            0.0          29.87          0.659
 C3             49.8            0.0       585900.0         -533.9           0.00
 V11       0.0000428         1905.0           4.25        -0.0022           1.00
 LA1             631            3.0            0.0
NiO                   NI(1)O(1)                               NiO           code
 ST              0.0      -239470.0           38.0          1.097
 C3             47.7       0.007824      -392500.0            0.0           0.00
 V11        0.000033         2000.0           3.94         -0.002           1.00
 LA1             520            5.7            0.0
Cu                    CU(1)                                    Cu           code
 ST              0.0            0.0          33.14          0.711
 C3             12.4        0.00922      -379900.0          233.5           0.00
 V11       0.0000358         1625.0           4.24        -0.0026           0.00
ten                   CU(1)O(1)                               ten           code
 ST              0.0      -156100.0           42.6          1.222
 C3             31.0        0.01374     -1258000.0          369.3           0.00
 V11       0.0000357         2000.0           3.94         -0.002           0.00
cup                   CU(2)O(1)                               cup           code
 ST              0.0      -170600.0           92.4          2.344
 C3            110.3            0.0            0.0         -674.8           0.00
 V11       0.0000333         1310.0            5.7        -0.0043           0.00






!=========================================================================================
! The following are 'minus' phases used in COM statements in solution models.
! They are only used for calculating G's of COM phases, and are not considered
! for phase stability. The code '-code' can be changed to something else, as 
! long as you start your code with '-'. Often these don't need a -, but sometimes the
! non-dqf'd pure phase becomes stable along with the solution model containing the
! dqf'd version of these (you don't want that), so I make all dataset species that
! are used in COM statements -phases. A few of these have had their Landua or 
! Bragg-Williams ordering contributions (at ref conditions) stripped off (D- appended)
! or had their ordering contributions stripped off at elevated P-T (O- apppended). 
*** MINERAL DATA ***
py-                   MG(3)AL(2)SI(3)O(12)                    py-          -c
 ST              0.0     -6281960.0          269.5         11.313
 C3            633.5            0.0     -5196100.0        -4315.2           0.00
 V11       0.0000237         1743.0           4.05        -0.0023           0.00
gr-                   CA(3)AL(2)SI(3)O(12)                    gr-          -c
 ST              0.0     -6643010.0          255.0         12.535
 C3            626.0            0.0     -5779200.0        -4002.9           0.00
 V11        0.000022         1720.0           5.53        -0.0032           0.00
andr-                 CA(3)FE(2)SI(3)O(12)                  andr-          -c
 ST              0.0     -5769100.0          316.4         13.204
 C3            638.6            0.0     -4955100.0        -3989.2           0.00
 V11       0.0000286         1588.0           5.68        -0.0036           0.00
qL-                   SI(1)O(2)                               qL-          -c
 ST              0.0      -921070.0           16.3           2.73
 C3             82.5            0.0            0.0            0.0           0.00
 V11             0.0          220.0           9.46         -0.043           4.00
 DK1          -0.035
silL-                 AL(2)SI(1)O(5)                        silL-          -c
 ST              0.0     -2593430.0           10.0          6.051
 C3            253.0            0.0            0.0            0.0           0.00
 V11       0.0000408          220.0           6.36        -0.0289           4.00
 DK1          -0.029
foL-                  MG(2)SI(1)O(4)                         foL-          -c
 ST              0.0     -2237350.0          -62.0          4.312
 C3            269.4            0.0            0.0            0.0           0.00
 V11        0.000092          362.0          10.06        -0.0278           4.00
 DK1          -0.044
faL-                  FE(2)SI(1)O(4)                         faL-          -c
 ST              0.0     -1463020.0           96.0          4.677
 C3            243.7            0.0            0.0            0.0           0.00
 V11       0.0001071          290.0          10.42        -0.0359           4.00
 DK1          -0.055
abE-                  NA(1)AL(1)SI(3)O(8)                    abE-          -code
 ST              0.0     -3935480.0          207.4         10.067
 C3            452.0      -0.013364     -1275900.0        -3953.6           0.00
 V11       0.0000236          541.0           5.91        -0.0109           2.00
 BW1         14000.0          0.042        13000.0          0.042            3.0            0.9
anE-                  CA(1)AL(2)SI(2)O(8)                    anE-          -c
 ST              0.0     -4232690.0          200.5         10.079
 C3            370.5        0.01001     -4339100.0        -1960.6           0.00
 V11       0.0000141          860.0           4.09        -0.0048           2.00
 BW1         42010.0            0.1        42000.0            0.1            1.0            2.0
abh-                  NA(1)AL(1)SI(3)O(8)                    abh-          -c
 ST              0.0     -3921480.0          224.3         10.105
 C3            452.0      -0.013364     -1275900.0        -3953.6           0.00
 V11       0.0000241          541.0           5.91        -0.0109           0.00
mu-                   K(1)AL(3)SI(3)H(2)O(12)                 mu-          -c
 ST              0.0     -5976510.0          292.0         14.083
 C3            756.4       -0.01984     -2170000.0        -6979.2           0.00
 V11       0.0000307          490.0           4.15        -0.0085           0.00
cel-                  K(1)MG(1)AL(1)SI(4)H(2)O(12)           cel-          -c
 ST              0.0     -5834840.0          290.0         13.957
 C3            741.2      -0.018748     -2368800.0        -6616.9           0.00
 V11       0.0000307          700.0           4.11        -0.0059           0.00
fcel-                 K(1)FE(1)AL(1)SI(4)H(2)O(12)          fcel-          -c
 ST              0.0     -5468490.0          330.0          14.07
 C3            756.3      -0.019147     -1586100.0        -6928.7           0.00
 V11       0.0000318          700.0           4.11        -0.0059           0.00
pa-                   NA(1)AL(3)SI(3)H(2)O(12)                pa-          -c
 ST              0.0     -5942840.0          277.0         13.211
 C3            803.0       -0.03158       217000.0        -8151.0           0.00
 V11        0.000037          515.0           6.51        -0.0126           0.00
ma-                   CA(1)AL(4)SI(2)H(2)O(12)                ma-          -c
 ST              0.0     -6242070.0          265.0         12.964
 C3            744.4        -0.0168     -2074400.0        -6783.2           0.00
 V11       0.0000233         1000.0           4.08        -0.0041           0.00
ann-                  K(1)FE(3)AL(1)SI(3)H(2)O(12)           ann-          -c
 ST              0.0     -5143720.0          420.0         15.432
 C3            815.7      -0.034861        19800.0        -7466.7           0.00
 V11        0.000038          513.0           7.33        -0.0143           0.00
phl-                  K(1)MG(3)AL(1)SI(3)H(2)O(12)           phl-          -c
 ST              0.0     -6214880.0          326.0         14.964
 C3            770.3      -0.036939     -2328900.0        -6531.6           0.00
 V11        0.000038          513.0           7.33        -0.0143           0.00
br-                   MG(1)H(2)O(2)                           br-          -c
 ST              0.0      -925560.0           63.2          2.463
 C3            158.4      -0.004076     -1052300.0        -1171.3           0.00
 V11        0.000062          415.0           6.45        -0.0155           0.00
ru-                   TI(1)O(2)                               ru-          -c
 ST              0.0      -944360.0           50.5          1.882
 C3             90.4         0.0029            0.0         -623.8           0.00
 V11       0.0000224         2220.0           4.24        -0.0019           0.00
east-                 K(1)MG(2)AL(3)SI(2)H(2)O(12)          east-          -c
 ST              0.0     -6330380.0          318.0         14.738
 C3            785.5      -0.038031     -2130300.0        -6893.7           0.00
 V11        0.000038          530.0           7.33        -0.0143           0.00
mnbi-                 K(1)MN(3)AL(1)SI(3)H(2)O(12)          mnbi-          -c
 ST              0.0     -5477520.0          433.0         15.264
 C3            809.9      -0.059213     -1514400.0        -6998.7           0.00
 V11        0.000038          530.0           7.33        -0.0143           0.00
en-                   MG(2)SI(2)O(6)                          en-          -c
 ST              0.0     -3090220.0          132.5          6.262
 C3            356.2       -0.00299      -596900.0        -3185.3           0.00
 V11       0.0000227         1059.0           8.65        -0.0082           0.00
fs-                   FE(2)SI(2)O(6)                          fs-          -c
 ST              0.0     -2388710.0          189.9          6.592
 C3            398.7      -0.006579      1290100.0        -4058.0           0.00
 V11       0.0000326         1010.0           4.08         -0.004           0.00
mgts-                 MG(1)AL(2)SI(1)O(6)                   mgts-          -c
 ST              0.0     -3196670.0          131.0           6.05
 C3            371.4      -0.004082      -398400.0        -3547.1           0.00
 V11       0.0000217         1028.0           8.55        -0.0083           0.00
pxmn-                 MN(1)SI(1)O(3)                        pxmn-          -c
 ST              0.0     -1323160.0           99.3          3.472
 C3            138.4       0.004088     -1936000.0         -538.9           0.00
 V11        0.000028          840.0            4.0        -0.0048           0.00
di-                   CA(1)MG(1)SI(2)O(6)                     di-          -c
 ST              0.0     -3201850.0          142.9          6.619
 C3            314.5       0.000041     -2745900.0        -2020.1           0.00
 V11       0.0000273         1192.0           5.19        -0.0044           0.00
fspr-                 FE(4)AL(8)SI(2)O(20)                  fspr-          -c
 ST              0.0     -9659530.0          485.0         19.923
 C3           1132.9      -0.007348     -1.04202e7        -7036.6           0.00
 V11       0.0000196         2500.0           4.04        -0.0017           0.00
spr4-                 MG(4)AL(8)SI(2)O(20)                  spr4-          -c
 ST              0.0    -1.102202e7          425.5           19.9
 C3           1133.1      -0.007596     -8816600.0        -8180.6           0.00
 V11       0.0000205         2500.0           4.04        -0.0016           0.00
spr5-                 MG(3)AL(10)SI(1)O(20)                 spr5-          -c
 ST              0.0    -1.113557e7          419.5          19.75
 C3           1103.4       0.001015      -1.0957e7        -7409.2           0.00
 V11       0.0000206         2500.0           4.04        -0.0016           0.00
mncrdE-               MN(2)AL(4)SI(5)O(18)                mncrdE-          -c
 ST              0.0     -8693590.0          473.0         24.027
 C3            886.5            0.0     -8840000.0        -5590.4           0.00
 V11       0.0000069         1290.0            4.1        -0.0031           2.00
 BW1         36710.0            0.1        36700.0            0.1            2.0            1.5
mst-                  MG(4)AL(18)SI(7.5)H(4)O(48)            mst-          -c
 ST              0.0    -2.512374e7          910.0          44.26
 C3           2820.5      -0.059366      -1.3774e7       -24126.0           0.00
 V11       0.0000181         1684.0           4.05        -0.0024           0.00
mnst-                 MN(4)AL(18)SI(7.5)H(4)O(48)           mnst-          -c
 ST              0.0    -2.424585e7         1034.0          45.46
 C3           2873.3      -0.089064      -1.2688e7       -24749.0           0.00
 V11       0.0000209         1800.0           4.76        -0.0026           0.00
cor-                  AL(2)O(3)                              cor-          -c
 ST              0.0     -1675270.0           50.9          2.558
 C3            139.5        0.00589     -2460600.0         -589.2           0.00
 V11        0.000018         2540.0           4.34        -0.0017           0.00
afchl-                MG(6)SI(4)H(8)O(18)                  afchl-          -c
 ST              0.0     -8727860.0          439.0          21.57
 C3           1155.0      -0.000417     -4024400.0        -9952.9           0.00
 V11       0.0000204          870.0           4.09        -0.0047           0.00
clin-                 MG(5)AL(2)SI(3)H(8)O(18)              clin-          -c
 ST              0.0     -8909160.0          437.0          21.14
 C3           1170.8      -0.001508     -3825800.0       -10315.0           0.00
 V11       0.0000204          870.0           4.09        -0.0047           0.00
daph-                 FE(5)AL(2)SI(3)H(8)O(18)              daph-          -c
 ST              0.0     -7116910.0          584.0          21.62
 C3           1192.0       -0.00594     -4826400.0        -9768.3           0.00
 V11       0.0000227          870.0           4.09        -0.0047           0.00
mnchl-                MN(5)AL(2)SI(3)H(8)O(18)             mnchl-          -c
 ST              0.0     -7702320.0          595.0          22.59
 C3           1136.5      -0.005243     -5548100.0        -8911.5           0.00
 V11       0.0000223          870.0           4.09        -0.0047           0.00
mnctd-                MN(1)AL(2)SI(1)H(2)O(7)              mnctd-          -c
 ST              0.0     -3336150.0          166.0          7.175
 C3            464.4      -0.012654     -1147200.0        -4341.0           0.00
 V11        0.000026         1456.0           4.06        -0.0028           0.00
mctd-                 MG(1)AL(2)SI(1)H(2)O(7)               mctd-          -c
 ST              0.0     -3549250.0          146.0          6.875
 C3            417.4      -0.003771     -2920600.0        -3417.8           0.00
 V11       0.0000263         1456.0           4.06        -0.0028           0.00
ilmD-                 FE(1)TI(1)O(3)                        ilmD-          -c
 ST              0.0  -1215398.4244   120.51831967   3.1873638661
 C3            138.9       0.005081     -1288800.0         -463.7           0.00
 V11        0.000024         1700.0            8.3        -0.0049           0.00
hemD-                 FE(2)O(3)                             hemD-          -c
 ST              0.0   -816087.2292   100.33766837          3.027
 C3            163.9            0.0     -2257200.0         -657.6           0.00
 V11       0.0000279         2230.0           4.04        -0.0018           0.00
mtD-                  FE(3)O(4)                              mtD-          -c
 ST              0.0   -1095766.074   175.08332527          4.452
 C3            262.5      -0.007205     -1926200.0        -1655.7           0.00
 V11       0.0000371         1857.0           4.05        -0.0022           0.00
!=========================================================================================
!=========================================================================================






! Solid-solution phases. In general, the phase components for the a-x model appear
! immediately before the mixing model.
!
!=========================================================================================
!=========================================================================== AX MODEL STLP
**** SOLUTION DATA ****
! ref 0
! note   HP ds6 Appendix Table S2
! entry:  D.K. Tinkham. Sat 24 Apr 2021
STLP     (SITE,MARGULES)   M(5):Fe,Mg
   fstp           Fe,Fe,Fe,Fe,Fe
   mstp           Mg,Mg,Mg,Mg,Mg
**** MARGULES PARAMETER ****
fstp - mstp
12     20000.0   0.0   0.0
!
!
!
!=========================================================================================
!============================================================================ AX MODEL MIN
**** SOLUTION DATA ****
! ref 0
! note   HP ds6 Appendix Table S2
! entry:  D.K. Tinkham. Sat 24 Apr 2021
MIN     (SITE,MARGULES)   M(3):Fe,Mg
   minn           Fe,Fe,Fe
   minm           Mg,Mg,Mg
**** MARGULES PARAMETER ****
minn - minm
12     12000.0   0.0   0.0
!
!
!
!=========================================================================================
!=========================================================================== AX MODEL PREH
**** SOLUTION DATA ****
! ref 0
! note:   HP ds6 Appendix Table S2
! entry:  D.K. Tinkham. Sat 24 Apr 2021
PREH     (SITE,MARGULES)   M(1):AL,F3
   pre           AL
   fpre          F3
**** MARGULES PARAMETER ****
pre - fpre
12      1000.0   0.0   0.0
!
!
!
!=========================================================================================
!============================================================================ AX MODEL PMP
**** SOLUTION DATA ****
! ref 0
! note:   HP ds6 Appendix Table S2
! entry:  D.K. Tinkham. Sat 24 Apr 2021
PMP     (-SITE,IDEAL)   M2A(1):Mg,Fe - M2B(1):Al,F3 - M1(4):Al,F3
   mpm        Mg - Al - Al,Al,Al,Al   
   fpm        Fe - Al - Al,Al,Al,Al
   jgd        Fe - F3 - F3,F3,F3,F3
!
!
!
!=========================================================================================
!============================================================================= AX MODEL PO
**** SOLUTION DATA ****
! ref 0
! note   HP ds6 Appendix Table S2; apparently do not distinguish ferric/ferrous in 
!        site mixing.
PO     (-SITE,MARGULES)1/8   M(8):Fe,v
!                 Model is from Appendix Table S2 in HP 2011 dbs
   trot           Fe,Fe,Fe,Fe,Fe,Fe,Fe,Fe
   trov           Fe,Fe,Fe,Fe,Fe,Fe,Fe,v
**** MARGULES PARAMETER ****
trot - trov
!3.2 in appendix
12     -3190.0   0.0   0.0 
!
!
!
!
!
!=========================================================================================
!========================================================================= AX MODEL FLUID3
! ref -1,13
! entry: D.K. Tinkham. Sun 11 Apr 2021
! note:  Use at your own risk. You may need to comment or uncomment the 
!        O2 & S2 components depending on P-T-X conditions you are working at.
!        If looking at G-excess in thalia, plot REX, not GEX. GEX is calculated in thalia 
!        using WG, so it doesn't know that MARGULES in this case are not normal ones.
!        Input by D.K.T.  Feb. 2011
!
****  SuLUTION DATA  ****
FLUID3   (-SITE,MARGULES)     M(1):h2o,h2s,ch4,co2,s2,o2,h2,co
!                      model has hard time finding solutions with O2
!                      component left in. I recommend leaving it out
!                      if you have C in system.
!                      Neg size param (VLAA0) flags TD to use
!                      VV of species for size param, and that
!                      W's below are "a" interaction params.
!                      If looking at G-excess in thalia, plot
!                      REX, not GEX. GEX is calculated in thalia
!                      using WG, so it doesn't know that MARGULES
!                      in this case are not normal ones. To Fix
!                      Input by D.K.T.  Feb. 2011
!
! NOTE: H2O-CH4-CO work together well but limited component
!       H2O-CH4-CO-H2 @400/6000 is first combo that gave both equal MUE and ACTIVI in coesisting fluid

   H2O        h2o      -1.0  0.0  0.0
   H2S        h2s      -1.0  0.0  0.0
   CH4        ch4      -1.0  0.0  0.0
   CO2        co2      -1.0  0.0  0.0
   O2         o2       -1.0  0.0  0.0
   S2         s2       -1.0  0.0  0.0
   H2         h2       -1.0  0.0  0.0
   CO         co       -1.0  0.0  0.0
**** MuRGULES PARAMETER ****
!        a parameters from HP 2003, except where indicated.
!        a H2O-H2S, H2S-CH4, H2S-CO2  from Evans et al. 2010
!        a units are kJ^2/kbar; to convert to J^2/bar,
!          do 1000*1000/1000 = *1000 value in paper.
H2O - H2S
12      6500.0   0.0   0.0
H2O - CH4
12     15500.0   0.0   0.0
H2O - CO2
!12     12000.0   0.0   0.0
!      HP '03 must have used 10.5 kJ^2/kbar in paper, Fig. 8
12    10500.0   0.0   0.0
!H2O - S2
!12        0.0   0.0   0.0
!H2O - O2
!12        0.0   0.0   0.0
H2O - H2
12     14900.0   0.0   0.0
H2S - CH4
12      4150.0   0.0   0.0
H2S - CO2
12        45.0   0.0   0.0
!H2S - S2
!12        0.0   0.0   0.0
!H2S - O2
!12        0.0   0.0   0.0
!H2S - H2
!12        0.0   0.0   0.0
CH4 - CO2
12       600.0   0.0   0.0
!CH4 - S2
!12        0.0   0.0   0.0
!CH4 - O2
!12        0.0   0.0   0.0
CH4 - H2
12       800.0   0.0   0.0
!CO2 - S2
!12        0.0   0.0   0.0
!CO2 - O2
!12        0.0   0.0   0.0
CO2 - H2
12      2200.0   0.0   0.0
!S2 - O2
!12        0.0   0.0   0.0
!S2 - H2
!12        0.0   0.0   0.0
!O2 - H2
!12        0.0   0.0   0.0
H2O - CO
12     16800.0   0.0   0.0
CO2 - CO
12      1200.0   0.0   0.0
!CH4 - CO
!12        0.0   0.0   0.0
H2 - CO
12       300.0   0.0   0.0
!
!
!
!=========================================================================================
!============================================================================ AX MODEL GRT
! ref 0,4,5
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MINERAL DATA ***
!  Required dataset phase components for COM's: {py-, gr-, andr-}
py                    MG(3)AL(2)SI(3)O(12)                     py           code
 ST              0.0     -6281960.0          269.5         11.313
 C3            633.5            0.0     -5196100.0        -4315.2           0.00
 V11       0.0000237         1743.0           4.05        -0.0023           0.00
alm                   FE(3)AL(2)SI(3)O(12)                    alm           code
 ST              0.0     -5260700.0          342.0         11.525
 C3            677.3            0.0     -3772700.0        -5044.0           0.00
 V11       0.0000212         1900.0           2.98        -0.0016           0.00
spss                  MN(3)AL(2)SI(3)O(12)                   spss           code
 ST              0.0     -5693490.0          335.3         11.792
 C3            646.9            0.0     -4525800.0        -4452.8           0.00
 V11       0.0000227         1740.0           6.68        -0.0038           0.00
gr                    CA(3)AL(2)SI(3)O(12)                     gr           code
 ST              0.0     -6643010.0          255.0         12.535
 C3            626.0            0.0     -5779200.0        -4002.9           0.00
 V11        0.000022         1720.0           5.53        -0.0032           0.00
kho                   FE(2)MG(3)SI(3)O(12)                    kho           code
 ST              0.0          27000              0              0
 COM      py-[1]gr-[-1]andr-[1]
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SOLUTION DATA ***
GRT    (-SITE,MARGULES)   X(3):Mg,Fe,Mn,Ca - Y(2):Al,F3 
  py            Mg,Mg,Mg - Al,Al    1       0       0       
  alm           Fe,Fe,Fe - Al,Al    1       0       0       
  spss          Mn,Mn,Mn - Al,Al    1       0       0       
  gr            Ca,Ca,Ca - Al,Al    2.7     0       0       
  kho           Mg,Mg,Mg - F3,F3    1       0       0       
*** MARGULES PARAMETERS ***
py - alm  
12          2500.0        0        0
py - spss  
12            2000        0        0
py - gr  
12           31000        0        0
py - kho  
12          5400.0        0        0
alm - spss  
12            2000        0        0
alm - gr  
12            5000        0        0
alm - kho  
12         22600.0        0        0
spss - gr  
12               0        0        0
spss - kho  
12         29400.0        0        0
gr - kho  
12        -15300.0        0        0
!END AX MODEL GRT
!-----------------------------------------------------------------------------------------



!=========================================================================================
!=================================================================== AX MODEL LIQtc6/LIQ14
! ref 0,4
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a. Long names are used to match a hard-coded liq activity model.
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MINERAL DATA ***
!  Required dataset phase components for COM's: {qL-, silL-, foL-, faL-}
Quartz8_liq           SI(4)O(8)                               q4L           code
 ST              0.0            0.0            0.0            0.0
 COM      qL-[4]
Albite_liq            NA(1)AL(1)SI(3)O(8)                     abL           code
 ST              0.0     -3926520.0          149.9         10.858
 C3            358.0            0.0            0.0            0.0           0.00
 V11       0.0000337          176.0          14.35        -0.0815           4.00
 DK1          -0.026
K-feldspar_liq        K(1)AL(1)SI(3)O(8)                     kspL           code
 ST              0.0     -3985190.0          129.2         11.431
 C3            368.0            0.0            0.0            0.0           0.00
 V11       0.0000493          173.0           6.84        -0.0393           4.00
 DK1          -0.009
Anorthite_liq         CA(1)AL(2)SI(2)O(8)                     anL           code
 ST              0.0     -4277970.0           29.0         10.014
 C3            430.0            0.0            0.0            0.0           0.00
 V11       0.0000514          210.0           6.38        -0.0304           4.00
 DK1          -0.055
Sillimanite8_liq      AL(3.2)SI(1.6)O(8)                      slL           code
 ST              0.0         -23000              0              0
 COM      silL-[8/5]
Forsterite8_liq       MG(4)SI(2)O(8)                         fo2L           code
 ST              0.0         -10000              0              0
 COM      foL-[2]
Fayalite8_liq         FE(4)SI(2)O(8)                         fa2L           code
 ST              0.0          -9000              0           -1.3
 COM      faL-[2]
H2O_liq               H(2)O(1)                               h2oL           code
 ST              0.0      -295010.0           45.5           1.39
 C3             80.0            0.0            0.0            0.0           0.00
 V11        0.000521           50.6            4.0         -0.079           4.00
 DK1         -0.0037
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SOLUTION DATA ***
LIQtc6    (EXT,MARGULES)
  Quartz8_liq             
  Albite_liq              
  K-feldspar_liq          
  Anorthite_liq           
  Sillimanite8_liq        
  Forsterite8_liq         
  Fayalite8_liq           
  H2O_liq                 
*** MARGULES PARAMETERS ***
Quartz8_liq - Albite_liq  
12           12000        0     -0.4
Quartz8_liq - K-feldspar_liq  
12           -2000        0     -0.5
Quartz8_liq - Anorthite_liq  
12            5000        0        0
Quartz8_liq - Sillimanite8_liq  
12           12000        0        0
Quartz8_liq - Forsterite8_liq  
12           12000        0     -0.4
Quartz8_liq - Fayalite8_liq  
12           14000        0        0
Quartz8_liq - H2O_liq  
12           17000        0     -0.5
Albite_liq - K-feldspar_liq  
12           -6000        0      3.0
Albite_liq - Anorthite_liq  
12               0        0        0
Albite_liq - Sillimanite8_liq  
12           12000        0        0
Albite_liq - Forsterite8_liq  
12           10000        0        0
Albite_liq - Fayalite8_liq  
12            2000        0        0
Albite_liq - H2O_liq  
12         -1500.0        0     -0.3
K-feldspar_liq - Anorthite_liq  
12               0        0     -1.0
K-feldspar_liq - Sillimanite8_liq  
12           12000        0        0
K-feldspar_liq - Forsterite8_liq  
12           12000        0        0
K-feldspar_liq - Fayalite8_liq  
12           12000        0        0
K-feldspar_liq - H2O_liq  
12          9500.0        0     -0.3
Anorthite_liq - Sillimanite8_liq  
12               0        0        0
Anorthite_liq - Forsterite8_liq  
12               0        0        0
Anorthite_liq - Fayalite8_liq  
12               0        0        0
Anorthite_liq - H2O_liq  
12          7500.0        0     -0.5
Sillimanite8_liq - Forsterite8_liq  
12           12000        0        0
Sillimanite8_liq - Fayalite8_liq  
12           12000        0        0
Sillimanite8_liq - H2O_liq  
12           11000        0        0
Forsterite8_liq - Fayalite8_liq  
12           18000        0        0
Forsterite8_liq - H2O_liq  
12           11000        0     -0.5
Fayalite8_liq - H2O_liq  
12           12000        0        0
!END AX MODEL LIQ14
!-----------------------------------------------------------------------------------------


!=========================================================================================
!=========================================================================== AX MODEL PlHP
! ref 0,-1
! PLAGIOCLASE: HP 2003, CMP - Cbar1 and Ibar1 fields
! Note: Use of this model requires a version of domino/theriak with this routine
!       hard-coded. Contact D.K. Tinkham for such a version. This model handles
!       the C1/I1 transition for you automatically but is not a ternary model.
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
**** MuNERAL DATA **** 
abh                   NA(1)AL(1)SI(3)O(8)                     abh           code
 ST              0.0     -3921480.0          224.3         10.105
 C3            452.0      -0.013364     -1275900.0        -3953.6           0.00
 V11       0.0000241          541.0           5.91        -0.0109           0.00
an                    CA(1)AL(2)SI(2)O(8)                      an           code
 ST              0.0     -4232690.0          200.5         10.079
 C3            370.5        0.01001     -4339100.0        -1960.6           0.00
 V11       0.0000141          860.0           4.09        -0.0048           2.00
 BW1         42010.0            0.1        42000.0            0.1            1.0            2.0
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
**** SuLUTION DATA ****
PlHP      (EXT)
    an
    abh
!
!
!-----------------------------------------------------------------------------------------

!=========================================================================================
!========================================================================= AX MODEL FSP4TR
! ref 14
! note:   This is model 4TR from Holland et al. (2021 JMG).
! entry:  D.K. Tinkham. Sun 13 Dec 2021 (manual); corrected abh->ab, 2022-03-11
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MINERAL DATA ***
!  Required dataset phase components for COM's: {}
ab                    NA(1)AL(1)SI(3)O(8)                      ab           code
 ST              0.0     -3935480.0          207.4         10.067
 C3            452.0      -0.013364     -1275900.0        -3953.6           0.00
 V11       0.0000236          541.0           5.91        -0.0109           2.00
 BW1         14000.0          0.042        13000.0          0.042            3.0            0.9
an                    CA(1)AL(2)SI(2)O(8)                      an           code
 ST              0.0     -4232690.0          200.5         10.079
 C3            370.5        0.01001     -4339100.0        -1960.6           0.00
 V11       0.0000141          860.0           4.09        -0.0048           2.00
 BW1         42010.0            0.1        42000.0            0.1            1.0            2.0
san                   K(1)AL(1)SI(3)O(8)                      san           code
 ST              0.0     -3966700.0          214.3         10.871
 C3            448.8      -0.010075     -1007300.0        -3973.1           0.00
 V11       0.0000166          583.0           4.02        -0.0069           2.00
 BW1          8650.0          0.024         8500.0          0.024            3.0            0.8
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SOLUTION DATA ***
FSP4TR    (SITE,MARGULES)1/4   A(4):Na,K,Ca - T(4):Al,Si 
   ab             Na,Na,Na,Na - Al,Si,Si,Si      0.674   0.0   0.0
   an             Ca,Ca,Ca,Ca - Al,Al,Si,Si      0.550   0.0   0.0
   san            K,K,K,K - Al,Si,Si,Si          1.000   0.0   0.0 
*** MARGULES PARAMETER ***
ab - an  
12         14600.0      9.35  -0.04
ab - san  
12         24100.0      9.57   0.338
an - san  
12         48500.0      0     -0.13
!END AX MODEL FSP4TR
!-----------------------------------------------------------------------------------------

!=========================================================================================
!=========================================================================- AX MODEL ABHGP
! ref 14
! note: This is a model for the peristerit gap/loop at low-T, from Holland et al. (2021 JMG).
!       It is based on ab and not abh, and should be used with the FSP4TR model above.
! entry: D.K. Tinkham. Sun 13 Dec 2021 (manual); corrected abh->ab, 2022-03-11
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MINERAL DATA ***
!  Required dataset phase components for COM's: {abE-,anE-}
abM                   NA(1)AL(1)SI(3)O(8)                     abM           code
 ST              0.0        -1746.0          -2.00              0
 COM      abE-[1]
anM                   CA(1)AL(2)SI(2)O(8)                     anM           code
 ST              0.0        10000.0           0.00              0
 COM      anE-[1]
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SOLUTION DATA ***
ABHGP     (SITE,MARGULES)   A(1):Na,Ca
   abM            Na      0.64   0.0   0.0
   anM            Ca      1.00   0.0   0.0
*** MARGULES PARAMETER ***
abM - anM  
12           3400.0      0.00   0.00
!END AX MODEL ABHGP
!-----------------------------------------------------------------------------------------


!=========================================================================================
!============================================================================ AX MODEL PLC
! ref 0,-1
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a. DQF on anC from Baldwin et al.
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MuNERAL DATA ***
!  Required dataset phase components for COM's: {anE-}
abh                   NA(1)AL(1)SI(3)O(8)                     abh           code
 ST              0.0     -3921480.0          224.3         10.105
 C3            452.0      -0.013364     -1275900.0        -3953.6           0.00
 V11       0.0000241          541.0           5.91        -0.0109           0.00
anC                   CA(1)AL(2)SI(2)O(8)                     anC           code
 ST              0.0         7030.0           4.66              0
 COM      anE-[1]
san                   K(1)AL(1)SI(3)O(8)                      san           code
 ST              0.0     -3966700.0          214.3         10.871
 C3            448.8      -0.010075     -1007300.0        -3973.1           0.00
 V11       0.0000166          583.0           4.02        -0.0069           2.00
 BW1          8650.0          0.024         8500.0          0.024            3.0            0.8
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SuLUTION DATA ***
PLC    (SITE,MARGULES)   A(1):Na,Ca,K 
  abh           Na    0.643   0       0       
  anC           Ca    1.0     0       0       
  san           K     1.0     0       0       
*** MuRGULES PARAMETERS ***
abh - anC  
12          3100.0        0        0
abh - san  
12         25100.0     10.8    0.338
anC - san  
12           40000        0        0
!END AX MODEL PLC
!-----------------------------------------------------------------------------------------

!=========================================================================================
!============================================================================ AX MODEL PLI
! ref 0,-1
!         Converted from HPx-eos website files
!         tc-mb50NCKFMASHTO.txt & tc-ds62.txt
! note: ds62a
! entry:  D.K. Tinkham. Sun 25 Apr 2021 10:04:48 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
**** MuNERAL DATA ****
!  Required dataset phase components for COM's: {abh-}
abhI                  NA(1)AL(1)SI(3)O(8)                    abhI           code
 ST              0.0          570.0           4.12              0
 COM      abh-[1]
an                    CA(1)AL(2)SI(2)O(8)                      an           code
 ST              0.0     -4232690.0          200.5         10.079
 C3            370.5        0.01001     -4339100.0        -1960.6           0.00
 V11       0.0000141          860.0           4.09        -0.0048           2.00
 BW1         42010.0            0.1        42000.0            0.1            1.0            2.0
san                   K(1)AL(1)SI(3)O(8)                      san           code
 ST              0.0     -3966700.0          214.3         10.871
 C3            448.8      -0.010075     -1007300.0        -3973.1           0.00
 V11       0.0000166          583.0           4.02        -0.0069           2.00
 BW1          8650.0          0.024         8500.0          0.024            3.0            0.8
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
**** SuLUTION DATA ****
PLI    (SITE,MARGULES)   A(1):Na,Ca,K 
  abhI          Na    0.643   0       0       
  an            Ca    1.0     0       0       
  san           K    1.0     0       0       
**** MuRGULES PARAMETERS ****
abhI - an  
12           15000        0        0
abhI - san  
12         25100.0     10.8    0.338
an - san  
12           40000        0        0
!END AX MODEL PLI
!-----------------------------------------------------------------------------------------


!=========================================================================================
! EXACT DUPLICATE OF PLC & IS NOT NEEDED; DON'T ACTIVATE BOTH PLC AND KSP AT THE SAME TIME
!============================================================================ AX MODEL KSP
! ref 0,-1
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a. DQF on anC from Baldwin et al.
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MuNERAL DATA ***
!  Required dataset phase components for COM's: {anE-}
san                   K(1)AL(1)SI(3)O(8)                      san           code
 ST              0.0     -3966700.0          214.3         10.871
 C3            448.8      -0.010075     -1007300.0        -3973.1           0.00
 V11       0.0000166          583.0           4.02        -0.0069           2.00
 BW1          8650.0          0.024         8500.0          0.024            3.0            0.8
abh                   NA(1)AL(1)SI(3)O(8)                     abh           code
 ST              0.0     -3921480.0          224.3         10.105
 C3            452.0      -0.013364     -1275900.0        -3953.6           0.00
 V11       0.0000241          541.0           5.91        -0.0109           0.00
anC1                  CA(1)AL(2)SI(2)O(8)                    anC1           code
 ST              0.0         7030.0           4.66              0
 COM      anE-[1]
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SuLUTION DATA ***
KSP    (SITE,MARGULES)   A(1):K,Na,Ca 
  san           K     1.0     0       0       
  abh           Na    0.643   0       0       
  anC1          Ca    1.0     0       0       
*** MuRGULES PARAMETERS ***
san - abh  
12         25100.0     10.8    0.338
san - anC1  
12           40000        0        0
abh - anC1  
12          3100.0        0        0
!END AX MODEL KSP
!-----------------------------------------------------------------------------------------



!=========================================================================================
!=========================================================================== AX MODEL EP11
! ref 0
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MINERAL DATA ***
!  Required dataset phase components for COM's: {}
cz                    CA(2)AL(3)SI(3)H(1)O(13)                 cz           code
 ST              0.0     -6895540.0          301.0          13.63
 C3            630.9       0.013693     -6645800.0        -3731.1           0.00
 V11       0.0000233         1197.0           4.07        -0.0034           0.00
ep                    CA(2)FE(1)AL(2)SI(3)H(1)O(13)            ep           code
 ST              0.0     -6473830.0          315.0          13.92
 C3            613.3        0.02207     -7160000.0        -2987.7           0.00
 V11       0.0000234         1340.0            4.0         -0.003           0.00
fep                   CA(2)FE(2)AL(1)SI(3)H(1)O(13)           fep           code
 ST              0.0     -6028590.0          329.0          14.21
 C3            584.7       0.030447     -7674200.0        -2244.3           0.00
 V11       0.0000231         1513.0            4.0        -0.0026           0.00
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SOLUTION DATA ***
EP11    (-SITE,MARGULES)   M1(1):Al,Fe - M3(1):Al,Fe 
  cz            Al - Al
  ep            Al - Fe
  fep           Fe - Fe
*** MARGULES PARAMETERS ***
cz - ep  
12            1000        0        0
cz - fep  
12            3000        0        0
ep - fep  
12            1000        0        0
!END AX MODEL EP11
!-----------------------------------------------------------------------------------------



!=========================================================================================
!WATCH FOR PREDICTION OF MU-RICH COMPOSITIONS WHEN ACTIVE
!============================================================================ AX MODEL MRG
! ref 0,4
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MINERAL DATA ***
!  Required dataset phase components for COM's: {mu-, cel-, fcel-, pa-, gr-, andr-}
mut                   K(1)AL(3)SI(3)H(2)O(12)                 mut           code
 ST              0.0         1000.0              0              0
 COM      mu-[1]
celt                  K(1)MG(1)AL(1)SI(4)H(2)O(12)           celt           code
 ST              0.0           5000              0              0
 COM      cel-[1]
fcelt                 K(1)FE(1)AL(1)SI(4)H(2)O(12)          fcelt           code
 ST              0.0           5000              0              0
 COM      fcel-[1]
pat                   NA(1)AL(3)SI(3)H(2)O(12)                pat           code
 ST              0.0           4000              0              0
 COM      pa-[1]
ma                    CA(1)AL(4)SI(2)H(2)O(12)                 ma           code
 ST              0.0     -6242070.0          265.0         12.964
 C3            744.4        -0.0168     -2074400.0        -6783.2           0.00
 V11       0.0000233         1000.0           4.08        -0.0041           0.00
fmu                   K(1)FE(1)AL(2)SI(3)H(2)O(12)            fmu           code
 ST              0.0          25000              0              0
 COM      mu-[1]gr-[-1/2]andr-[1/2]
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SOLUTION DATA ***
MRG    (-SITE,MARGULES)   A(1):K,Na,Ca - M2A(1):Al,Mg,Fe - M2B(1):Al,F3 - T1(2):Si,Al 
  mut           K - Al - Al - Si,Al     0.63    0.0     0.0     
  celt          K - Mg - Al - Si,Si     0.63    0.0     0.0     
  fcelt         K - Fe - Al - Si,Si     0.63    0.0     0.0     
  pat           Na - Al - Al - Si,Al    0.37    0.0     0.0     
  ma            Ca - Al - Al - Al,Al    0.63    0.0     0.0     
  fmu           K - Al - F3 - Si,Al     0.63    0.0     0.0     
*** MARGULES PARAMETERS ***
mut - celt  
12             0.0      0.0      0.2
mut - fcelt  
12             0.0      0.0      0.2
mut - pat  
12         10120.0     -3.4    0.353
mut - ma  
12           34000        0        0
mut - fmu  
12               0        0        0
celt - fcelt  
12               0        0        0
celt - pat  
12           45000        0     0.25
celt - ma  
12           50000        0        0
celt - fmu  
12               0        0        0
fcelt - pat  
12           45000        0     0.25
fcelt - ma  
12           50000        0        0
fcelt - fmu  
12               0        0        0
pat - ma  
12           18000        0        0
pat - fmu  
12           30000        0        0
ma - fmu  
12           35000        0        0
!END AX MODEL MRG
!-----------------------------------------------------------------------------------------



!=========================================================================================
!THIS MODEL IS THE ACTIVE WM MODEL BY DEFAULT; WATCH FOR PREDICTION OF COEXISTING WM 
!PHASES; MU-RICH + PA-RICH IS FINE, BUT IF PREDICTING A MA-RICH COEXISTING WM, CONSIDER
!ACTIVATING THE MRG MODEL IN SUCH CASES
!============================================================================= AX MODEL WM
! ref 0,4
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a. TC files chaged DQF_mat from  6.5 to 5.0 kJ/mol
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MINERAL DATA ***
!  Required dataset phase components for COM's: {ma-, andr-, gr-, mu-}
mu                    K(1)AL(3)SI(3)H(2)O(12)                  mu           code
 ST              0.0     -5976510.0          292.0         14.083
 C3            756.4       -0.01984     -2170000.0        -6979.2           0.00
 V11       0.0000307          490.0           4.15        -0.0085           0.00
cel                   K(1)MG(1)AL(1)SI(4)H(2)O(12)            cel           code
 ST              0.0     -5834840.0          290.0         13.957
 C3            741.2      -0.018748     -2368800.0        -6616.9           0.00
 V11       0.0000307          700.0           4.11        -0.0059           0.00
fcel                  K(1)FE(1)AL(1)SI(4)H(2)O(12)           fcel           code
 ST              0.0     -5468490.0          330.0          14.07
 C3            756.3      -0.019147     -1586100.0        -6928.7           0.00
 V11       0.0000318          700.0           4.11        -0.0059           0.00
pa                    NA(1)AL(3)SI(3)H(2)O(12)                 pa           code
 ST              0.0     -5942840.0          277.0         13.211
 C3            803.0       -0.03158       217000.0        -8151.0           0.00
 V11        0.000037          515.0           6.51        -0.0126           0.00
mat                   CA(1)AL(4)SI(2)H(2)O(12)                mat           code
 ST              0.0         5000.0              0              0
 COM      ma-[1]
fmu1                  K(1)FE(1)AL(2)SI(3)H(2)O(12)           fmu1           code
 ST              0.0          25000              0              0
 COM      andr-[1/2]gr-[-1/2]mu-[1]
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SOLUTION DATA ***
WM    (-SITE,MARGULES)   A(1):K,Na,Ca - M2A(1):Al,Mg,Fe - M2B(1):Al,F3 - T1(2):Si,Al 
  mu            K - Al - Al - Si,Al     0.63    0       0       
  cel           K - Mg - Al - Si,Si     0.63    0       0       
  fcel          K - Fe - Al - Si,Si     0.63    0       0       
  pa            Na - Al - Al - Si,Al    0.37    0       0       
  mat           Ca - Al - Al - Al,Al    0.63    0       0       
  fmu1          K - Al - F3 - Si,Al     0.63    0       0       
*** MARGULES PARAMETERS ***
mu - cel  
12               0        0      0.2
mu - fcel  
12               0        0      0.2
mu - pa  
12         10120.0     -3.4    0.353
mu - mat  
12           35000        0        0
mu - fmu1  
12               0        0        0
cel - fcel  
12               0        0        0
cel - pa  
12           45000        0     0.25
cel - mat  
12           50000        0        0
cel - fmu1  
12               0        0        0
fcel - pa  
12           45000        0     0.25
fcel - mat  
12           50000        0        0
fcel - fmu1  
12               0        0        0
pa - mat  
12           15000        0        0
pa - fmu1  
12           30000        0        0
mat - fmu1  
12           35000        0        0
!END AX MODEL WM
!-----------------------------------------------------------------------------------------



!=========================================================================================
!=========================================================================== AX MODEL BI14
! ref 0,4,5
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MINERAL DATA ***
!  Required dataset phase components for COM's: {ann-, phl-, br-, ru-, east-, gr-, andr-, mnbi-}
phl                   K(1)MG(3)AL(1)SI(3)H(2)O(12)            phl           code
 ST              0.0     -6214880.0          326.0         14.964
 C3            770.3      -0.036939     -2328900.0        -6531.6           0.00
 V11        0.000038          513.0           7.33        -0.0143           0.00
annm                  K(1)FE(3)AL(1)SI(3)H(2)O(12)           annm           code
 ST              0.0          -3000              0              0
 COM      ann-[1]
obi                   K(1)FE(1)MG(2)AL(1)SI(3)H(2)O(12)               obi      code
 ST              0.0          -3000              0              0
 COM      ann-[1/3]phl-[2/3]
east                  K(1)MG(2)AL(3)SI(2)H(2)O(12)           east           code
 ST              0.0     -6330380.0          318.0         14.738
 C3            785.5      -0.038031     -2130300.0        -6893.7           0.00
 V11        0.000038          530.0           7.33        -0.0143           0.00
tbi                   K(1)MG(2)TI(1)AL(1)SI(3)O(12)           tbi           code
 ST              0.0          55000              0              0
 COM      phl-[1]br-[-1]ru-[1]
fbi                   K(1)FE(1)MG(2)AL(2)SI(2)H(2)O(12)               fbi      code
 ST              0.0          -3000              0              0
 COM      east-[1]gr-[-1/2]andr-[1/2]
mmbi                  K(1)MN(3)AL(1)SI(3)H(2)O(12)           mmbi           code
 ST              0.0        -7890.0              0              0
 COM      mnbi-[1]
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SOLUTION DATA ***
BI14    (-SITE,MARGULES)   M3(1):Mg,Fe,Al,Ti,F3,Mn - M12(2):Mg,Fe,Mn - T(2):Si,Al - V(2):OH,O 
  phl           Mg - Mg,Mg - Si,Al - OH,OH
  annm          Fe - Fe,Fe - Si,Al - OH,OH
  obi           Fe - Mg,Mg - Si,Al - OH,OH
  east          Al - Mg,Mg - Al,Al - OH,OH
  tbi           Ti - Mg,Mg - Si,Al - O,O
  fbi           F3 - Mg,Mg - Al,Al - OH,OH
  mmbi          Mn - Mn,Mn - Si,Al - OH,OH
*** MARGULES PARAMETERS ***
phl - annm  
12           12000        0        0
phl - obi  
12            4000        0        0
phl - east  
12           10000        0        0
phl - tbi  
12           30000        0        0
phl - fbi  
12            8000        0        0
phl - mmbi  
12            9000        0        0
annm - obi  
12            8000        0        0
annm - east  
12           15000        0        0
annm - tbi  
12           32000        0        0
annm - fbi  
12         13600.0        0        0
annm - mmbi  
12          6300.0        0        0
obi - east  
12            7000        0        0
obi - tbi  
12           24000        0        0
obi - fbi  
12          5600.0        0        0
obi - mmbi  
12          8100.0        0        0
east - tbi  
12           40000        0        0
east - fbi  
12            1000        0        0
east - mmbi  
12           13000        0        0
tbi - fbi  
12           40000        0        0
tbi - mmbi  
12           30000        0        0
fbi - mmbi  
12         11600.0        0        0
!END AX MODEL BI14
!-----------------------------------------------------------------------------------------



!=========================================================================================
!WATCH FOR PREDICTION OF CALCIUM-RICH COMPOSITIONS; YOU DO NOT WANT THAT! IF PROBLEMS 
!PERSIST WITH CALCIUM-RICH COMPOSITIONS, CONSIDER REPLACING THIS OPX MODEL WITH THE MODEL 
!IN THE IGNEOUS SET, WHICH HAS BEEN MODIFIED TO REDUCE THE LIKELIHOOD OF THIS, OR CONTACT
!DT FOR ANOTHER POSSIBLE FIX.
!========================================================================== AX MODEL OPX14
! ref 0,4,5
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MINERAL DATA ***
!  Required dataset phase components for COM's: {en-, fs-, mgts-, gr-, andr-, pxmn-, di-}
en                    MG(2)SI(2)O(6)                           en           code
 ST              0.0     -3090220.0          132.5          6.262
 C3            356.2       -0.00299      -596900.0        -3185.3           0.00
 V11       0.0000227         1059.0           8.65        -0.0082           0.00
fs                    FE(2)SI(2)O(6)                           fs           code
 ST              0.0     -2388710.0          189.9          6.592
 C3            398.7      -0.006579      1290100.0        -4058.0           0.00
 V11       0.0000326         1010.0           4.08         -0.004           0.00
fm                    FE(1)MG(1)SI(2)O(6)                      fm           code
 ST              0.0        -6600.0              0              0
 COM      en-[1/2]fs-[1/2]
mgts                  MG(1)AL(2)SI(1)O(6)                    mgts           code
 ST              0.0     -3196670.0          131.0           6.05
 C3            371.4      -0.004082      -398400.0        -3547.1           0.00
 V11       0.0000217         1028.0           8.55        -0.0083           0.00
fopx                  FE(1)MG(1)AL(1)SI(1)O(6)               fopx           code
 ST              0.0           2000              0              0
 COM      mgts-[1]gr-[-1/2]andr-[1/2]
mnopx                 MN(2)SI(2)O(6)                        mnopx           code
 ST              0.0         6680.0              0              0
 COM      pxmn-[2]
odi                   CA(1)MG(1)SI(2)O(6)                     odi           code
 ST              0.0         -100.0         -0.211          0.005
 COM      di-[1]
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SOLUTION DATA ***
OPX14    (-SITE,MARGULES)1/4      M1(4):Mg,Fe,Al,F3,Mn - M2(4):Mg,Fe,Mn,Ca - T(2):Si,Al 
  en            Mg,Mg,Mg,Mg - Mg,Mg,Mg,Mg - Si,Si    1       0       0       
  fs            Fe,Fe,Fe,Fe - Fe,Fe,Fe,Fe - Si,Si    1       0       0       
  fm            Mg,Mg,Mg,Mg - Fe,Fe,Fe,Fe - Si,Si    1       0       0       
  mgts          Al,Al,Al,Al - Mg,Mg,Mg,Mg - Si,Al    1       0       0       
  fopx          F3,F3,F3,F3 - Mg,Mg,Mg,Mg - Si,Al    1       0       0       
  mnopx         Mn,Mn,Mn,Mn - Mn,Mn,Mn,Mn - Si,Si    1       0       0       
  odi           Mg,Mg,Mg,Mg - Ca,Ca,Ca,Ca - Si,Si    1.2     0       0       
*** MARGULES PARAMETERS ***
en - fs  
12            7000        0        0
en - fm  
12            4000        0        0
en - mgts  
12           13000        0    -0.15
en - fopx  
12           11000        0    -0.15
en - mnopx  
12            5000        0        0
en - odi  
12         32200.0        0     0.12
fs - fm  
12            4000        0        0
fs - mgts  
12           13000        0    -0.15
fs - fopx  
12         11600.0        0    -0.15
fs - mnopx  
12          4200.0        0        0
fs - odi  
12         25540.0        0    0.084
fm - mgts  
12           17000        0    -0.15
fm - fopx  
12           15000        0    -0.15
fm - mnopx  
12          5100.0        0        0
fm - odi  
12         22540.0        0    0.084
mgts - fopx  
12            1000        0        0
mgts - mnopx  
12           12000        0    -0.15
mgts - odi  
12         75400.0        0    -0.94
fopx - mnopx  
12         10600.0        0    -0.15
fopx - odi  
12         73400.0        0    -0.94
mnopx - odi  
12         24540.0        0    0.084
!END AX MODEL OPX14
!-----------------------------------------------------------------------------------------



!=========================================================================================
!=========================================================================== AX MODEL SAPP
! ref 0,10
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MINERAL DATA ***
!  Required dataset phase components for COM's: {fspr-, spr4-, andr-, gr-, spr5-}
spr4                  MG(4)AL(8)SI(2)O(20)                   spr4           code
 ST              0.0    -1.102202e7          425.5           19.9
 C3           1133.1      -0.007596     -8816600.0        -8180.6           0.00
 V11       0.0000205         2500.0           4.04        -0.0016           0.00
spr5                  MG(3)AL(10)SI(1)O(20)                  spr5           code
 ST              0.0    -1.113557e7          419.5          19.75
 C3           1103.4       0.001015      -1.0957e7        -7409.2           0.00
 V11       0.0000206         2500.0           4.04        -0.0016           0.00
fspm                  FE(4)AL(8)SI(2)O(20)                   fspm           code
 ST              0.0          -2000              0              0
 COM      fspr-[1]
spro                  FE(3)MG(1)AL(8)SI(2)O(20)              spro           code
 ST              0.0        -3500.0              0              0
 COM      fspr-[3/4]spr4-[1/4]
ospr                  FE(1)MG(3)AL(9)SI(1)O(20)              ospr           code
 ST              0.0         -16000              0              0
 COM      andr-[1/2]gr-[-1/2]spr5-[1]
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SOLUTION DATA ***
SAPP    (-SITE,MARGULES)   M3(1):Mg,Al,Fe,F3 - M456(3):Mg,Fe - T(1):Si,Al 
  spr4          Mg - Mg,Mg,Mg - Si
  spr5          Al - Mg,Mg,Mg - Al
  fspm          Fe - Fe,Fe,Fe - Si
  spro          Mg - Fe,Fe,Fe - Si
  ospr          F3 - Mg,Mg,Mg - Al
*** MARGULES PARAMETERS ***
spr4 - spr5  
12           10000        0    -0.02
spr4 - fspm  
12           16000        0        0
spr4 - spro  
12           12000        0        0
spr4 - ospr  
12            8000        0    -0.02
spr5 - fspm  
12           19000        0    -0.02
spr5 - spro  
12           22000        0    -0.02
spr5 - ospr  
12            1000        0        0
fspm - spro  
12            4000        0        0
fspm - ospr  
12         17600.0        0    -0.02
spro - ospr  
12           20000        0    -0.02
!END AX MODEL SAPP
!-----------------------------------------------------------------------------------------



!=========================================================================================
!=========================================================================== AX MODEL CD14
! ref 0,4,5
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MuNERAL DATA ***
!  Required dataset phase components for COM's: {mncrdE-}
crd                   MG(2)AL(4)SI(5)O(18)                    crd           code
 ST              0.0     -9163430.0          404.1         23.322
 C3            906.1            0.0     -7902000.0        -6293.4           0.00
 V11       0.0000068         1290.0            4.1        -0.0031           2.00
 BW1         36710.0            0.1        36700.0            0.1            2.0            1.5
fcrd                  FE(2)AL(4)SI(5)O(18)                   fcrd           code
 ST              0.0     -8444070.0          461.0          23.71
 C3            924.0            0.0     -7039400.0        -6439.6           0.00
 V11       0.0000067         1290.0            4.1        -0.0031           2.00
 BW1         36710.0            0.1        36700.0            0.1            2.0            1.5
hcrd                  MG(2)AL(4)SI(5)H(2)O(19)               hcrd           code
 ST              0.0     -9448520.0          483.0         23.322
 C3            955.3            0.0     -8352600.0        -6301.2           0.00
 V11       0.0000067         1290.0            4.1        -0.0031           2.00
 BW1         36710.0            0.1        36700.0            0.1            2.0            1.5
mncd                  MN(2)AL(4)SI(5)O(18)                   mncd           code
 ST              0.0        -4210.0              0              0
 COM      mncrdE-[1]
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SuLUTION DATA ***
CD14    (-SITE,MARGULES)   X(2):Mg,Fe,Mn - H(1):V,H2O 
  crd           Mg,Mg - V
  fcrd          Fe,Fe - V
  hcrd          Mg,Mg - H2O
  mncd          Mn,Mn - V
*** MARGULES PARAMETERS ***
crd - fcrd  
12            8000        0        0
crd - hcrd  
12               0        0        0
crd - mncd  
12            6000        0        0
fcrd - hcrd  
12            9000        0        0
fcrd - mncd  
12            4000        0        0
hcrd - mncd  
12            6000        0        0
!END AX MODEL CD14
!-----------------------------------------------------------------------------------------



!=========================================================================================
!=========================================================================== AX MODEL ST14
! ref 0,4,5
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MINERAL DATA ***
!  Required dataset phase components for COM's: {mst-, mnst-, gr-, andr-, cor-, ru-}
mstm                  MG(4)AL(18)SI(7.5)H(4)O(48)            mstm           code
 ST              0.0          -8000              0              0
 COM      mst-[1]
fst                   FE(4)AL(18)SI(7.5)H(4)O(48)             fst           code
 ST              0.0    -2.375463e7         1010.0          44.88
 C3           2880.0      -0.056595      -1.0642e7       -25373.0           0.00
 V11       0.0000183         1800.0           4.76        -0.0026           0.00
mnstm                 MN(4)AL(18)SI(7.5)H(4)O(48)           mnstm           code
 ST              0.0         -190.0              0              0
 COM      mnst-[1]
msto                  FE(2)MG(4)AL(16)SI(7.5)H(4)O(48)              msto    code
 ST              0.0           9000              0              0
 COM      mst-[1]gr-[-1]andr-[1]
mstt                  MG(4)TI(1.5)AL(16)SI(7.5)H(4)O(48)              mstt      code
 ST              0.0          13000              0              0
 COM      mst-[1]cor-[-1]ru-[3/2]
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SOLUTION DATA ***
ST14    (-SITE,MARGULES)1/2      X(8):Mg,Fe,Mn - Y(4):Al,F3,Ti,v 
  mstm          Mg,Mg,Mg,Mg,Mg,Mg,Mg,Mg - Al,Al,Al,Al
  fst           Fe,Fe,Fe,Fe,Fe,Fe,Fe,Fe - Al,Al,Al,Al
  mnstm         Mn,Mn,Mn,Mn,Mn,Mn,Mn,Mn - Al,Al,Al,Al
  msto          Mg,Mg,Mg,Mg,Mg,Mg,Mg,Mg - F3,F3,F3,F3
  mstt          Mg,Mg,Mg,Mg,Mg,Mg,Mg,Mg - Ti,Ti,Ti,v
*** MARGULES PARAMETERS ***
mstm - fst  
12           16000        0        0
mstm - mnstm  
12           12000        0        0
mstm - msto  
12            2000        0        0
mstm - mstt  
12           20000        0        0
fst - mnstm  
12            8000        0        0
fst - msto  
12           18000        0        0
fst - mstt  
12           36000        0        0
mnstm - msto  
12           14000        0        0
mnstm - mstt  
12           32000        0        0
msto - mstt  
12           30000        0        0
!END AX MODEL ST14
!-----------------------------------------------------------------------------------------



!=========================================================================================
!========================================================================== AX MODEL CHL14
! ref 0,4,5
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a.  W's are from THERMOCALC ax files, and some are different 
!               from those appearring in White et al. (2014)
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MINERAL DATA ***
!  Required dataset phase components for COM's: {afchl-, clin-, daph-, gr-, andr-, mnchl-}
clin                  MG(5)AL(2)SI(3)H(8)O(18)               clin           code
 ST              0.0     -8909160.0          437.0          21.14
 C3           1170.8      -0.001508     -3825800.0       -10315.0           0.00
 V11       0.0000204          870.0           4.09        -0.0047           0.00
afchl                 MG(6)SI(4)H(8)O(18)                   afchl           code
 ST              0.0     -8727860.0          439.0          21.57
 C3           1155.0      -0.000417     -4024400.0        -9952.9           0.00
 V11       0.0000204          870.0           4.09        -0.0047           0.00
ames                  MG(4)AL(4)SI(2)H(8)O(18)               ames           code
 ST              0.0     -9040460.0          412.0          20.71
 C3           1186.0      -0.002599     -3627200.0       -10677.0           0.00
 V11         0.00002          870.0           4.09        -0.0047           0.00
daph                  FE(5)AL(2)SI(3)H(8)O(18)               daph           code
 ST              0.0     -7116910.0          584.0          21.62
 C3           1192.0       -0.00594     -4826400.0        -9768.3           0.00
 V11       0.0000227          870.0           4.09        -0.0047           0.00
ochl1                 FE(5)MG(1)SI(4)H(8)O(18)              ochl1           code
 ST              0.0           3000              0              0
 COM      afchl-[1]clin-[-1]daph-[1]
ochl4                 FE(1)MG(5)SI(4)H(8)O(18)              ochl4           code
 ST              0.0         2400.0              0              0
 COM      afchl-[1]clin-[-1/5]daph-[1/5]
f3clin                FE(1)MG(5)AL(1)SI(3)H(8)O(18)        f3clin           code
 ST              0.0           2000              0              0
 COM      clin-[1]gr-[-1/2]andr-[1/2]
mmchl                 MN(5)AL(2)SI(3)H(8)O(18)              mmchl           code
 ST              0.0        -5670.0              0              0
 COM      mnchl-[1]
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SOLUTION DATA ***
CHL14    (-SITE,MARGULES)   M1(1):Mg,Al,Fe,Mn - M23(4):Mg,Fe,Mn - M4(1):Al,Mg,Fe,F3 - T2(2):Si,Al 
  clin          Mg - Mg,Mg,Mg,Mg - Al - Si,Al
  afchl         Mg - Mg,Mg,Mg,Mg - Mg - Si,Si
  ames          Al - Mg,Mg,Mg,Mg - Al - Al,Al
  daph          Fe - Fe,Fe,Fe,Fe - Al - Si,Al
  ochl1         Mg - Fe,Fe,Fe,Fe - Fe - Si,Si
  ochl4         Fe - Mg,Mg,Mg,Mg - Mg - Si,Si
  f3clin        Mg - Mg,Mg,Mg,Mg - F3 - Si,Al
  mmchl         Mn - Mn,Mn,Mn,Mn - Al - Si,Al
*** MARGULES PARAMETERS ***
clin - afchl  
12           17000        0        0
clin - ames  
12           17000        0        0
clin - daph  
12           20000        0        0
clin - ochl1  
12           30000        0        0
clin - ochl4  
12           21000        0        0
clin - f3clin  
12            2000        0        0
clin - mmchl  
12            6000        0        0
afchl - ames  
12           16000        0        0
afchl - daph  
12           37000        0        0
afchl - ochl1  
12           20000        0        0
afchl - ochl4  
12            4000        0        0
afchl - f3clin  
12           15000        0        0
afchl - mmchl  
12           23000        0        0
ames - daph  
12           30000        0        0
ames - ochl1  
12           29000        0        0
ames - ochl4  
12           13000        0        0
ames - f3clin  
12           19000        0        0
ames - mmchl  
12           17000        0        0
daph - ochl1  
12           18000        0        0
daph - ochl4  
12           33000        0        0
daph - f3clin  
12           22000        0        0
daph - mmchl  
12            4000        0        0
ochl1 - ochl4  
12           24000        0        0
ochl1 - f3clin  
12         28600.0        0        0
ochl1 - mmchl  
12           19000        0        0
ochl4 - f3clin  
12           19000        0        0
ochl4 - mmchl  
12           22000        0        0
f3clin - mmchl  
12            8000        0        0
!END AX MODEL CHL14
!-----------------------------------------------------------------------------------------



!=========================================================================================
!========================================================================== AX MODEL CTD14
! ref 0,4,5
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MINERAL DATA ***
!  Required dataset phase components for COM's: {mnctd-, mctd-, andr-, gr-}
mctd                  MG(1)AL(2)SI(1)H(2)O(7)                mctd           code
 ST              0.0     -3549250.0          146.0          6.875
 C3            417.4      -0.003771     -2920600.0        -3417.8           0.00
 V11       0.0000263         1456.0           4.06        -0.0028           0.00
fctd                  FE(1)AL(2)SI(1)H(2)O(7)                fctd           code
 ST              0.0     -3208290.0          167.0           6.98
 C3            416.1      -0.003477     -2835900.0        -3360.3           0.00
 V11        0.000028         1456.0           4.06        -0.0028           0.00
mnct                  MN(1)AL(2)SI(1)H(2)O(7)                mnct           code
 ST              0.0          660.0              0              0
 COM      mnctd-[1]
ctdo                  FE(0.5)MG(1)AL(1.5)SI(1)H(2)O(7)              ctdo    code
 ST              0.0        13500.0              0              0
 COM      mctd-[1]andr-[1/4]gr-[-1/4]
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SOLUTION DATA ***
CTD14    (-SITE,MARGULES)1/2      M1A(1):Al,F3 - M1B(2):Mg,Fe,Mn 
  mctd          Al - Mg,Mg
  fctd          Al - Fe,Fe
  mnct          Al - Mn,Mn
  ctdo          F3 - Mg,Mg
*** MARGULES PARAMETERS ***
mctd - fctd  
12            4000        0        0
mctd - mnct  
12            3000        0        0
mctd - ctdo  
12            1000        0        0
fctd - mnct  
12            3000        0        0
fctd - ctdo  
12            5000        0        0
mnct - ctdo  
12            4000        0        0
!END AX MODEL CTD14
!-----------------------------------------------------------------------------------------



!=========================================================================================
!=========================================================================== AX MODEL SP02
! ref 0,-2
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MuNERAL DATA ***
!  Required dataset phase components for COM's: {}
herc                  FE(1)AL(2)O(4)                         herc           code
 ST              0.0     -1953030.0          113.9          4.075
 C3            216.7       0.005868     -2430200.0        -1178.3           0.00
 V11       0.0000206         1922.0           4.04        -0.0021           2.00
 BW1         18300.0            0.0        13600.0            0.0            2.0            1.0
sp                    MG(1)AL(2)O(4)                           sp           code
 ST              0.0     -2301190.0           82.0          3.978
 C3            222.9       0.006127     -1686000.0        -1551.0           0.00
 V11       0.0000193         1922.0           4.04        -0.0021           2.00
 BW1          8000.0            0.0         1200.0            0.0            2.0            0.5
mt                    FE(3)O(4)                                mt           code
 ST              0.0     -1114500.0          146.9          4.452
 C3            262.5      -0.007205     -1926200.0        -1655.7           0.00
 V11       0.0000371         1857.0           4.05        -0.0022           1.00
 LA1             848           35.0            0.0
usp                   FE(2)TI(1)O(4)                          usp           code
 ST              0.0     -1491120.0          180.0          4.682
 C3           -102.6        0.14252     -9144500.0         5270.7           0.00
 V11       0.0000386         1857.0           4.05        -0.0022           0.00
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SuLUTION DATA ***
SP02    (-SITE,MARGULES)   M2(1):Al,F3,Ti - M1(1):Fe,Mg 
  herc          Al - Fe
  sp            Al - Mg
  mt            F3 - Fe
  usp           Ti - Fe
*** MuRGULES PARAMETERS ***
herc - sp  
12               0        0        0
herc - mt  
12         18500.0        0        0
herc - usp  
12           27000        0        0
sp - mt  
12           40000        0        0
sp - usp  
12           30000        0        0
mt - usp  
12               0        0        0
!END AX MODEL SP02
!-----------------------------------------------------------------------------------------

!=========================================================================================
!========================================================================== AX MODEL MTLOW
! ref 0,-3
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MINERAL DATA ***
!  Required dataset phase components for COM's: {mtD-}
imt                   FE(3)O(4)                               imt           code
 ST              0.0        -1859.5         -3.166              0
 COM      mtD-[1]
dmt                   FE(3)O(4)                               dmt           code
 ST              0.0         1330.5         1.1845              0
 COM      mtD-[1]
usp                   FE(2)TI(1)O(4)                          usp           code
 ST              0.0     -1491120.0          180.0          4.682
 C3           -102.6        0.14252     -9144500.0         5270.7           0.00
 V11       0.0000386         1857.0           4.05        -0.0022           0.00
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SOLUTION DATA ***
MTLOW    (-SITE,MARGULES)1/3      M(6):F3,Fe,Ti - T(3):F3,Fe 
  imt           F3,F3,F3,Fe,Fe,Fe - F3,F3,F3
  dmt           F3,F3,F3,F3,Fe,Fe - F3,F3,Fe
  usp           Ti,Ti,Ti,Fe,Fe,Fe - Fe,Fe,Fe
*** MARGULES PARAMETERS ***
imt - dmt  
12          2400.0        0        0
imt - usp  
12            1000        0        0
dmt - usp  
12           -5000        0        0
!END AX MODEL MTLOW
!-----------------------------------------------------------------------------------------


!NOTE ON ILMENITE: CHOOSE ONE OF THE FOLLOWING 2 MODELS. SOME HAVE CHOSEN TO COMMENT THE
!GEIK MEMBER OF THE ILMM MODEL; THE MODEL HERE HAS IT ACTIVATED TO MATCH THE TC FILE.


!=========================================================================================
!=========================================================================== AX MODEL ILMM
! ref 0,4,5
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MuNERAL DATA ***
!  Required dataset phase components for COM's: {ilmD-, hemD-}
oilm                  FE(1)TI(1)O(3)                         oilm           code
 ST              0.0       -13607.5         -9.426              0
 COM      ilmD-[1]
dilm                  FE(1)TI(1)O(3)                         dilm           code
 ST              0.0         1992.8            2.1              0
 COM      ilmD-[1]
dhem                  FE(2)O(3)                              dhem           code
 ST              0.0            0.0            0.0            0.0
 COM      hemD-[1]
geik                  MG(1)TI(1)O(3)                         geik           code
 ST              0.0     -1568960.0           73.6          3.086
 C3            151.0            0.0     -1890400.0         -652.2           0.00
 V11       0.0000215         1700.0            8.3        -0.0049           0.00
pnt                   MN(1)TI(1)O(3)                          pnt           code
 ST              0.0     -1361950.0          105.5          3.288
 C3            143.5       0.003373     -1940700.0         -407.6           0.00
 V11        0.000024         1700.0            8.3        -0.0049           0.00
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SuLUTION DATA ***
ILMM    (-SITE,MARGULES)1/2      A(2):Fe,Ti,F3,Mg,Mn - B(2):Ti,Fe,F3 
  oilm          Fe,Fe - Ti,Ti
  dilm          Fe,Ti - Fe,Ti
  dhem          F3,F3 - F3,F3
  geik          Mg,Mg - Ti,Ti
  pnt           Mn,Mn - Ti,Ti
*** MuRGULES PARAMETERS ***
oilm - dilm  
12         15600.0        0        0
oilm - dhem  
12         26600.0        0        0
oilm - geik  
12            4000        0        0
oilm - pnt  
12            2000        0        0
dilm - dhem  
12           11000        0        0
dilm - geik  
12            4000        0        0
dilm - pnt  
12            2000        0        0
dhem - geik  
12           36000        0        0
dhem - pnt  
12           25000        0        0
geik - pnt  
12            4000        0        0
!END AX MODEL ILMM
!-----------------------------------------------------------------------------------------



!=========================================================================================
!========================================================================== AX MODEL ILM00
! ref 0,-3
!         Converted from HPx-eos website files
!         tc-mp50MnNCKFMASHTO.txt & tc-ds62.txt
! note: ds62a. This version does not cont Mn and Mg members, so may not be the best choice
!              at lower T's if your ilm has a significant amount of Mn.
! entry:  D.K. Tinkham. Sun 11 Apr 2021 19:33:10 (via dsaxcnvrt.wl)
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** MINERAL DATA ***
!  Required dataset phase components for COM's: {ilmD-, hemD-}
oilm1                 FE(1)TI(1)O(3)                        oilm1           code
 ST              0.0       -13607.5         -9.426              0
 COM      ilmD-[1]
dilm1                 FE(1)TI(1)O(3)                        dilm1           code
 ST              0.0         1992.8            2.1              0
 COM      ilmD-[1]
dhem1                 FE(2)O(3)                             dhem1           code
 ST              0.0            0.0            0.0            0.0
 COM      hemD-[1]
!. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
*** SOLUTION DATA ***
ILM00    (-SITE,MARGULES)1/2      A(2):Fe,Ti,F3 - B(2):Ti,Fe,F3 
  oilm1         Fe,Fe - Ti,Ti
  dilm1         Fe,Ti - Fe,Ti
  dhem1         F3,F3 - F3,F3
*** MARGULES PARAMETERS ***
oilm1 - dilm1  
12         15600.0        0        0
oilm1 - dhem1  
12         26600.0        0        0
dilm1 - dhem1  
12           11000        0        0
!END AX MODEL ILM00
!-----------------------------------------------------------------------------------------






! BUFFER STUFF
***  MINERAL DATA  ***
fa                    FE(2)SI(1)O(4)                           fa           code
 ST              0.0     -1477720.0          151.0          4.631
 C3            201.1        0.01733     -1960600.0         -900.9           0.00
 V11       0.0000282         1256.0           4.68        -0.0037           0.00

***** GAS DATA *****
!h2o0.5        H(2)O(1)                       h2o5             nh
!  ST          0.000          0.000         0.0000          0.000
!  CP1         0.000          0.000         0.0000          0.000
!  COM         H2O[1]         0.5
!----------------------------------------------------------------
!                   H2 = 2 Fe3O4 + 1 H2O - 3 Fe2O3
HHM-BUFFER     H(2)                            HHM           *HHM
  ST           0.000          0.000         0.0000          0.000
  CP1          0.000          0.000         0.0000          0.000
  COM          mtD-[2]H2O[1]hemD-[-3]
!--------------
-HHM-BUFFER    H(-2)                          -HHM           *HHM
  ST           0.000          0.000         0.0000          0.000
  CP1          0.000          0.000         0.0000          0.000
  COM          HHM-BUFFER[-1]
!----------------------------------------------------------------
!                      O2 = 6 Fe2O3 - 4 Fe3O4
OHM-BUFFER     O(2)                            OHM           *OHM
  ST           0.000          0.000         0.0000          0.000
  CP1          0.000          0.000         0.0000          0.000
  COM          hemD-[6]mtD-[-4]      0  hemD-
!--------------
-OHM-BUFFER    O(-2)                          -OHM           *OHM
  ST           0.000          0.000         0.0000          0.000
  CP1          0.000          0.000         0.0000          0.000
  COM          OHM-BUFFER[-1] 
!----------------------------------------------------------------
!                   O2 = 3 SiO2 + 2 Fe3O4 - 3 Fe2SiO4 
QFM-BUFFER     O(2)                            QFM           *QFM
  ST           0.000          0.000         0.0000          0.000
  CP1          0.000          0.000         0.0000          0.000
  COM          fa[-3]mtD-[2]q[3]     0  mtD-
!--------------
-QFM-BUFFER    O(-2)                          -QFM           *QFM
  ST           0.000          0.000         0.0000          0.000
  CP1          0.000          0.000         0.0000          0.000
  COM          QFM-BUFFER[-1]
!----------------------------------------------------------------
!           H2 = 3/2 Fe2SiO4 + 1 H2O - 1 Fe3O4 - 3/2 SiO2
HQFM-BUFFER     H(2)                          HQFM          *HQFM
  ST           0.000          0.000         0.0000          0.000
  CP1          0.000          0.000         0.0000          0.000
  COM          fa[3/2]H2O[1]mtD-[1]q[-3/2]     
!--------------
-HQFM-BUFFER    H(-2)                        -HQFM          *HQFM
  ST           0.000          0.000         0.0000          0.000
  CP1          0.000          0.000         0.0000          0.000
  COM          HQFM-BUFFER[-1]
!----------------------------------------------------------------
!                         O2 = 2 NiO - 2 Ni
NNO-Buffer     O(2)                            NNO           *NNO
  ST           0.000          0.000         0.0000          0.000
  CP1          0.000          0.000         0.0000          0.000
  COM          NiO[2]Ni[-2]          0  Ni
!--------------
-NNO-Buffer    O(-2)                          -NNO           *NNO
  ST           0.000          0.000         0.0000          0.000
  CP1          0.000          0.000         0.0000          0.000
  COM          NNO-Buffer[-1]
!----------------------------------------------------------------
!                         O2 = 1 CO2 - 1 C
GC-BUFFER      O(2)                             GC            *GC
  ST           0.000          0.000         0.0000          0.000
  CP1          0.000          0.000         0.0000          0.000
  COM          CO2[1]gph[-1]
!--------------
-GC-BUFFER     O(-2)                           -GC            *GC
  ST           0.000          0.000         0.0000          0.000
  CP1          0.000          0.000         0.0000          0.000
  COM          GC-BUFFER[-1]
!----------------------------------------------------------------
!                        S2 = 2 FeS2 - 2 FeS
PPS-BUFFER     S(2)                            PPS           *PPS
  ST           0.000          0.000         0.0000          0.000
  CP1          0.000          0.000         0.0000          0.000
  COM          pyr[2]trot[-2]
!--------------
-PPS-BUFFER    S(-2)                          -PPS           *PPS
  ST           0.000          0.000         0.0000          0.000
  CP1          0.000          0.000         0.0000          0.000
  COM          PPS-BUFFER[-1]
!----------------------------------------------------------------
!
**** GuS DATA *****
Ox-Buffer       O(2)     ox          zBN
  ST           0.000        0.00000     0.00000000       0.000000
  C1        0.000000        0.00000           0.00            0.0
COM      O2[1]      1d-9
-Ox-Buffer       O(-2)     -ox          zBN
  ST           0.000        0.00000    00.00000000       0.000000
  C1        0.000000        0.00000           0.00            0.0
COM      Ox-Buffer[-1]
!
!




!The SEEDS listing below represent starting phase compositions at a variety of P-T conditions.
!In most cases starting seed compositions are not required, but presence of seeds, at times,
!allows faster convergence to equilibrium or allow successful convergence where the
!algorithm may otherwise fail to converge using the default set of calculation parameters in
!theriak.ini. In general, if you want to calculate a diagram over a range of P-T, you can 
!run theriak at the corners of your P-T limit and some of the interior P-T points (to 
!hit all of the different phases that will be stable), grab the seed compositions that are 
!output in the thkout.out file, and replace the below seeds with your own seeds generated with 
!your system composition, phases, and P-T limits. Then run domino and hope. This SEEDS approach 
!is not new, but it does replace the older approach of placing starting guesses in ini files,
!one for each phase.

!Seeds generated for the following system composition:
! 0  MN(0.126)NA(3.652)CA(1.303)K(5.388)FE(6.558)MG(5.854)AL(22.708)SI(69.377)TI(0.678)H(39)O(?) O(0.59022)  *  AWBZ 18% Fet as Fe3+; Proj ap

***  SEEDS  ***  TC= 6.0000E+02  P= 1.0000E+03     FSP4TR FSP4TR BI14 CD14 MTLOW ILM00 H2O q
FSP4TR  ab   6.82585807E-01  an   2.95294486E-01  san   2.21197069E-02
FSP4TR  ab   1.93214735E-01  an   1.01648687E-02  san   7.96620396E-01
BI14  phl   1.51569243E-01  annm   4.98571786E-01  obi  -1.76473994E-01  east   2.38791585E-01  tbi   1.06333516E-01  fbi   1.77511584E-01  mmbi   3.69628022E-03
CD14  crd   2.41468573E-01  fcrd   3.03718636E-01  hcrd   4.33768521E-01  mncd   2.10442697E-02
MTLOW  imt   8.36762701E-01  dmt  -1.21151222E-01  usp   2.84388521E-01
ILM00  oilm1   8.05353610E-01  dilm1   5.22009993E-02  dhem1   1.42445391E-01

***  SEEDS  ***  TC= 6.0000E+02  P= 5.5000E+03       GRT FSP4TR WM BI14 ST14 MTLOW ILM00 H2O q
GRT  py   1.22308014E-01  alm   5.39151650E-01  spss   2.67848035E-01  gr   4.53223481E-02  kho   2.53699530E-02
FSP4TR  ab   7.14780855E-01  an   2.79023303E-01  san   6.19584167E-03
WM  mu   7.47530703E-01  cel   2.43793753E-02  fcel   1.37443372E-02  pa   1.93872093E-01  mat   9.99599134E-03  fmu1   1.04774998E-02
BI14  phl   2.06978336E-01  annm   3.85525677E-01  obi  -9.15260949E-02  east   2.32418177E-01  tbi   8.29959057E-02  fbi   1.77694287E-01  mmbi   5.91371241E-03
ST14  mstm   1.20456783E-01  fst   6.74966855E-01  mnstm   4.22025932E-02  msto   1.02310521E-01  mstt   6.00632480E-02
MTLOW  imt   8.26520430E-01  dmt  -5.42053068E-02  usp   2.27684877E-01
ILM00  oilm1   6.68558052E-01  dilm1   8.00877827E-02  dhem1   2.51354165E-01

***  SEEDS  ***  TC= 6.0000E+02  P= 1.2000E+04       GRT FSP4TR EP11 WM WM BI14 ILM00 H2O q ru
GRT  py  -2.34332960E-02  alm   5.42562915E-01  spss   4.64765931E-02  gr   2.91834786E-01  kho   1.42559002E-01
FSP4TR  ab   8.92351911E-01  an   1.00975142E-01  san   6.67294630E-03
EP11  cz   4.01292574E-01  ep   5.72154007E-01  fep   2.65534193E-02
WM  mu   6.37661643E-01  cel   9.62362578E-02  fcel   5.23793848E-02  pa   1.87684992E-01  mat   7.62898098E-03  fmu1   1.84087416E-02
WM  mu   4.90579271E-02  cel   3.44820070E-03  fcel   1.87677120E-03  pa   9.04758653E-01  mat   3.72808294E-02  fmu1   3.57761882E-03
BI14  phl   3.25451963E-01  annm   3.66026898E-01  obi   2.94016811E-02  east   8.17383108E-02  tbi   9.01945854E-02  fbi   1.05969775E-01  mmbi   1.21678651E-03
ILM00  oilm1   1.38889693E-04  dilm1   4.17777107E-01  dhem1   5.82084004E-01

***  SEEDS  ***  TC= 7.0000E+02  P= 1.0000E+03        FSP4TR FSP4TR BI14 CD14 MTLOW ILM00 H2O q
FSP4TR  ab   6.49054467E-01  an   3.18684615E-01  san   3.22609186E-02
FSP4TR  ab   2.57946716E-01  an   1.98318956E-02  san   7.22221389E-01
BI14  phl   2.03393784E-01  annm   4.77473499E-01  obi  -1.07033052E-01  east   1.56275433E-01  tbi   1.59979513E-01  fbi   1.05557098E-01  mmbi   4.35372346E-03
CD14  crd   3.15397392E-01  fcrd   3.09947540E-01  hcrd   3.55035604E-01  mncd   1.96194648E-02
MTLOW  imt   3.52425485E-01  dmt   2.27548975E-01  usp   4.20025540E-01
ILM00  oilm1   8.30039121E-01  dilm1   7.04895649E-02  dhem1   9.94713138E-02

***  SEEDS  ***  TC= 7.0000E+02  P= 5.5000E+03     GRT LIQtc6 FSP4TR BI14 MTLOW ILM00 H2O sill q
GRT  py   1.54777951E-01  alm   5.74395992E-01  spss   2.01139693E-01  gr   3.78038444E-02  kho   3.18825197E-02
LIQtc6  Quartz8_liq   1.27713376E-01  Albite_liq   1.44643910E-01  K-feldspar_liq   8.76983652E-02  Anorthite_liq   7.03081858E-03  Sillimanite8_liq   1.26070600E-02  Forsterite8_liq   3.22080451E-04  Fayalite8_liq   6.13560113E-04  H2O_liq   6.19370829E-01
FSP4TR  ab   6.14187585E-01  an   3.73677543E-01  san   1.21348727E-02
BI14  phl   1.82427911E-01  annm   4.16791752E-01  obi  -1.44235834E-01  east   2.51717294E-01  tbi   1.19664186E-01  fbi   1.66953366E-01  mmbi   6.68132446E-03
MTLOW  imt   6.00880208E-01  dmt   1.21476696E-01  usp   2.77643096E-01
ILM00  oilm1   6.24254951E-01  dilm1   1.23576590E-01  dhem1   2.52168459E-01

***  SEEDS  ***  TC= 7.0000E+02  P= 1.2000E+04    GRT LIQtc6 FSP4TR WM BI14 ILM00 q ru
GRT  py   2.41768117E-01  alm   5.53666798E-01  spss   1.79872628E-02  gr   1.16697328E-01  kho   6.98804939E-02
LIQtc6  Quartz8_liq   5.57781508E-02  Albite_liq   1.84935778E-01  K-feldspar_liq   2.53764991E-02  Anorthite_liq   6.94410175E-03  Sillimanite8_liq   2.53317189E-03  Forsterite8_liq   5.60123572E-04  Fayalite8_liq   6.97125778E-04  H2O_liq   7.23175049E-01
FSP4TR  ab   7.84124017E-01  an   2.05739180E-01  san   1.01368030E-02
WM  mu   6.76799312E-01  cel   7.67430101E-02  fcel   2.76657989E-02  pa   1.82604032E-01  mat   1.74556768E-02  fmu1   1.87321705E-02
BI14  phl   3.40392372E-01  annm   2.32423736E-01  obi  -9.00456599E-03  east   1.72375378E-01  tbi   1.20724295E-01  fbi   1.42621760E-01  mmbi   4.67024342E-04
ILM00  oilm1   8.17247347E-05  dilm1   4.31810344E-01  dhem1   5.68107931E-01


***  SEEDS  ***  TC= 3.0000E+02  P= 1.0000E+03    STLP ABHGP EP11 WM CHL14 H2O q sph
STLP  fstp   7.02496712E-01  mstp   2.97503288E-01
ABHGP  abM   9.91511622E-01  anM   8.48837785E-03
EP11  cz   1.22482242E-01  ep   8.50565802E-01  fep   2.69519563E-02
WM  mu   8.60640906E-01  cel   6.55672271E-02  fcel   3.49442193E-02  pa   3.17471162E-02  mat   4.71320661E-05  fmu1   7.05339949E-03
CHL14  clin  -1.23354462E-03  afchl   2.23762901E-01  ames   2.44686803E-02  daph   4.74451827E-01  ochl1   4.53197159E-07  ochl4  -2.23761956E-01  f3clin   4.88227054E-01  mmchl   1.40845835E-02

***  SEEDS  ***  TC= 3.0000E+02  P= 6.0000E+03                                                                                                                                                             STLP ABHGP EP11 WM WM CHL14 ILM00 H2O q sph
STLP  fstp   5.92909051E-01  mstp   4.07090949E-01
ABHGP  abM   9.99319820E-01  anM   6.80179650E-04
EP11  cz   5.30354097E-02  ep   8.82688666E-01  fep   6.42759241E-02
WM  mu   7.70170656E-01  cel   9.61142623E-02  fcel   3.85965959E-02  pa   8.04845201E-02  mat   2.17272908E-05  fmu1   1.46122381E-02
WM  mu   2.26468294E-02  cel   7.03422402E-05  fcel   2.82470243E-05  pa   9.76520496E-01  mat   4.17767843E-04  fmu1   3.16317492E-04
CHL14  clin  -1.35838316E-01  afchl   1.76464350E-01  ames   1.70667956E-02  daph   3.63938925E-01  ochl1   2.92357237E-07  ochl4  -1.76463530E-01  f3clin   7.25976311E-01  mmchl   2.88551723E-02
ILM00  oilm1   2.63891470E-06  dilm1   4.94866352E-02  dhem1   9.50510726E-01

***  SEEDS  ***  TC= 3.0000E+02  P= 1.2000E+04    STLP PMP GRT ABHGP WM WM H2O q ru
STLP  fstp   5.36570797E-01  mstp   4.63429203E-01
PMP  mpm   4.18478095E-01  fpm  -5.91506631E-02  jgd   6.40672568E-01
GRT  py  -4.07068677E-01  alm   2.78763488E-02  spss   5.83782360E-01  gr   3.86975146E-01  kho   4.08434823E-01
ABHGP  abM   9.99979129E-01  anM   2.08708863E-05
WM  mu   4.22312522E-01  cel   3.88647191E-01  fcel   1.38995443E-01  pa   1.90491905E-02  mat   1.38089450E-06  fmu1   3.09942720E-02
WM  mu   3.67031157E-03  cel   6.82143639E-04  fcel   2.43966536E-04  pa   9.94681358E-01  mat   1.75684587E-05  fmu1   7.04651780E-04

***  SEEDS  ***  TC= 4.0000E+02  P= 1.0000E+03    FSP4TR WM BI14 CHL14 MTLOW H2O q ru
FSP4TR  ab   7.21978129E-01  an   2.74368346E-01  san   3.65352482E-03
WM  mu   8.69428403E-01  cel   3.89631087E-02  fcel   2.36176871E-02  pa   5.36708509E-02  mat   6.82571001E-04  fmu1   1.36373796E-02
BI14  phl   1.82978316E-01  annm   5.45279007E-01  obi  -1.45442450E-02  east   6.09766619E-02  tbi   4.14459780E-02  fbi   1.76886325E-01  mmbi   6.97795762E-03
CHL14  clin  -5.22725667E-02  afchl   1.81934864E-01  ames   1.15672668E-01  daph   4.38524761E-01  ochl1   2.28193866E-06  ochl4  -1.81930107E-01  f3clin   4.85114558E-01  mmchl   1.29535415E-02
MTLOW  imt   1.07514910E+00  dmt  -2.15300350E-01  usp   1.40151249E-01

***  SEEDS  ***  TC= 4.0000E+02  P= 5.5000E+03      STLP ABHGP EP11 WM CHL14 H2O q sph
STLP  fstp   5.87526774E-01  mstp   4.12473226E-01
ABHGP  abM   9.90470960E-01  anM   9.52903971E-03
EP11  cz   2.12513764E-01  ep   7.59473729E-01  fep   2.80125068E-02
WM  mu   7.67307359E-01  cel   9.40276545E-02  fcel   6.79306020E-02  pa   5.88799082E-02  mat   2.93382350E-04  fmu1   1.15610942E-02
CHL14  clin   1.23111482E-02  afchl   1.95165008E-01  ames   3.89736760E-02  daph   5.10871128E-01  ochl1   4.78931413E-06  ochl4  -1.95156808E-01  f3clin   4.25552546E-01  mmchl   1.22785130E-02


***  SEEDS  ***  TC= 4.0000E+02  P= 1.2000E+04     STLP PMP GRT ABHGP WM WM ILM00 H2O q sph
STLP  fstp   4.94223793E-01  mstp   5.05776207E-01
PMP  mpm   4.01887603E-01  fpm   3.93506987E-02  jgd   5.58761699E-01
GRT  py  -4.58947071E-01  alm   1.21942578E-01  spss   3.55438305E-01  gr   5.14634557E-01  kho   4.66931631E-01
ABHGP  abM   9.99426611E-01  anM   5.73388878E-04
WM  mu   5.39583776E-01  cel   2.39870633E-01  fcel   1.38084445E-01  pa   5.09631180E-02  mat   6.40869799E-05  fmu1   3.14339405E-02
WM  mu   1.06937443E-02  cel   1.14909410E-03  fcel   6.61479820E-04  pa   9.85351158E-01  mat   5.38957424E-04  fmu1   1.60556626E-03
ILM00  oilm1   7.91505496E-06  dilm1   1.27510724E-01  dhem1   8.72481361E-01

***  SEEDS  ***  TC= 5.0000E+02  P= 1.0000E+03     FSP4TR WM BI14 CD14 MTLOW H2O and q ru
FSP4TR  ab   7.23655987E-01  an   2.71207924E-01  san   5.13608936E-03
WM  mu   8.20980138E-01  cel   1.24107303E-02  fcel   6.76767938E-03  pa   1.49995793E-01  mat   3.07374824E-03  fmu1   6.77191094E-03
BI14  phl   1.68120844E-01  annm   4.29592094E-01  obi  -1.17892867E-01  east   2.49366328E-01  tbi   5.98815744E-02  fbi   2.02666780E-01  mmbi   8.26524778E-03
CD14  crd   2.02365116E-01  fcrd   2.24895125E-01  hcrd   5.20002067E-01  mncd   5.27376921E-02
MTLOW  imt   1.04938338E+00  dmt  -2.72560067E-01  usp   2.23176686E-01

***  SEEDS  ***  TC= 5.0000E+02  P= 6.5000E+03      GRT FSP4TR EP11 WM BI14 CHL14 MTLOW H2O q ru
GRT  py  -7.07326931E-02  alm   3.50665630E-01  spss   3.49872485E-01  gr   2.61380706E-01  kho   1.08813873E-01
FSP4TR  ab   8.31587224E-01  an   1.63442107E-01  san   4.97066901E-03
EP11  cz   3.12163496E-01  ep   6.60541541E-01  fep   2.72949633E-02
WM  mu   7.55689791E-01  cel   5.35100597E-02  fcel   3.82587136E-02  pa   1.34684131E-01  mat   3.44604960E-03  fmu1   1.44112551E-02
BI14  phl   2.16035135E-01  annm   5.14754319E-01  obi  -1.31374124E-02  east   7.75319531E-02  tbi   6.23313252E-02  fbi   1.33517076E-01  mmbi   8.96760331E-03
CHL14  clin   2.71475097E-02  afchl   1.67477620E-01  ames   1.34293881E-01  daph   4.48336396E-01  ochl1   1.51287670E-05  ochl4  -1.67449157E-01  f3clin   3.78239122E-01  mmchl   1.19395002E-02
MTLOW  imt   9.91347682E-01  dmt  -1.73256592E-01  usp   1.81908909E-01

***  SEEDS  ***  TC= 5.0000E+02  P= 1.2000E+04      STLP GRT ABHGP EP11 WM WM BI14 ILM00 H2O q ru
STLP  fstp   4.08399854E-01  mstp   5.91600146E-01
GRT  py  -2.12310829E-01  alm   3.61363371E-01  spss   2.12734395E-01  gr   3.88738555E-01  kho   2.49474508E-01
ABHGP  abM   9.95115192E-01  anM   4.88480797E-03
EP11  cz   2.24466274E-01  ep   7.33740948E-01  fep   4.17927775E-02
WM  mu   6.01433812E-01  cel   1.59602633E-01  fcel   1.10376025E-01  pa   1.03100399E-01  mat   8.91481984E-04  fmu1   2.45956497E-02
WM  mu   2.29043491E-02  cel   1.98609524E-03  fcel   1.37351929E-03  pa   9.66131234E-01  mat   5.20399534E-03  fmu1   2.40080708E-03
BI14  phl   2.72091768E-01  annm   4.93031015E-01  obi   7.41932363E-02  east   2.57173228E-02  tbi   6.24594433E-02  fbi   6.63235414E-02  mmbi   6.18367321E-03
ILM00  oilm1   4.21087353E-05  dilm1   3.03478078E-01  dhem1   6.96479813E-01





!=========================================================================================
!=========================================================================================
! Phase components of entrire HP 2011 ds62a to add above when needed.
*** GuS DATA ***  !add your preferred CS numbers; HP'91, Evans, Shi Saxena, Reid
                  !these have Reid et al. 1987 (4th ed), but ds6 state Reid et al. 1977 (3rd ed)
!--
H2O                   H(2)O(1)                                H2O           code
 SPC   PS94H2O
 ST              0.0      -241810.0          188.8            0.0
 C3             40.1       0.008656       487500.0         -251.2           0.00
 !CS1         0.2212          647.3       ! Reid et al. 1987, 4th ed.; kbar, K
!--
CO2                   C(1)O(2)                                CO2           code
 SPC   PS94CO2
 ST              0.0      -393510.0          213.7            0.0
 C3             87.8      -0.002644       706400.0         -998.9           0.00
 !CS1         0.0738          304.1       ! Reid et al.  1987, 4th ed.; kbar, K
!--
*** GuS DATA ***  
CO                    C(1)O(1)                                 CO           code
 ST              0.0      -110530.0         197.67            0.0
 C3             45.7      -0.000097       662700.0         -414.7           0.00
 !CS1       0.034987          132.9  ! not HP '91 value
 !CS1      0.0349571         133.15  ! Shi & Saxena, 1992; kbar, K
 CS1          0.0350          132.9  ! Holland & Powell, 1991; kbar, K; same as Reid et al.  1987, 4th ed.
!--
CH4                   C(1)H(4)                                CH4           code
 ST              0.0       -74810.0         186.26            0.0
 C3            150.1       0.002063      3427700.0        -2650.4           0.00
 CS1          0.0460          190.6  ! Holland & Powell, 1991; kbar, k
 !CS1         0.0460          190.4  ! Reid et al.  1987, 4th ed; kbar, k
 !CS1      0.0464069         191.05  ! Shi & Saxena, 1992; kbar, K
!--
O2                    O(2)                                     O2           code
 ST              0.0            0.0          205.2            0.0
 C3             48.3      -0.000691       499200.0         -420.7           0.00
 !CS1      0.0507638        154.750   ! Shi & Saxena, 1992; kbar, K
 CS1          0.0504          154.6   ! Reid 1987 et al.  4th ed.; kbar, K
!--
H2                    H(2)                                     H2           code
 ST              0.0            0.0          130.7            0.0
 C3             23.3       0.004627            0.0           76.3           0.00
 CS1          0.0211           41.2  ! Holland & Powell, 1991; kbar, k
 !CS1      0.0129696          33.25  ! Shi & Saxena, 1992; kbar, K
 !CS1         0.0129           33.0  ! Reid 1987 et al.  4th ed.; kbar, K; H2 (equilibrium)
 !CS1         0.0130           33.2  ! Reid 1987 et al.  4th ed.; kbar, K; H2 (normal)
!--
S2                    S(2)                                     S2           code
 ST              0.0       128540.0          231.0            0.0
 C3             37.1       0.002398      -161000.0          -65.0           0.00
 !CS1       0.083000        259.600  ! 
 CS1        0.072954         208.15  ! Shi & Saxena, 1992; kbar, K
!--
H2S                   S(1)H(2)                                H2S           code
 ST              0.0       -20300.0         205.77            0.0
 C3             47.4        0.01024       615900.0         -397.8           0.00
 !CS1       0.089200        373.200  ! 
 CS1          0.0894          373.2  ! Reid et al.  1987, 4th ed.; kbar, K;
 !CS1      0.0900779         373.55  ! Shi & Saxena, 1992; kbar, K
*** MuNERAL DATA ***
fo                    MG(2)SI(1)O(4)                           fo           code
 ST              0.0     -2172590.0           95.1          4.366
 C3            233.3       0.001494      -603800.0        -1869.7           0.00
 V11       0.0000285         1285.0           3.84         -0.003           0.00
fa                    FE(2)SI(1)O(4)                           fa           code
 ST              0.0     -1477720.0          151.0          4.631
 C3            201.1        0.01733     -1960600.0         -900.9           0.00
 V11       0.0000282         1256.0           4.68        -0.0037           0.00
teph                  MN(2)SI(1)O(4)                         teph           code
 ST              0.0     -1733970.0          155.9          4.899
 C3            219.6            0.0     -1292700.0        -1308.3           0.00
 V11       0.0000286         1256.0           4.68        -0.0037           0.00
lrn                   CA(2)SI(1)O(4)                          lrn           code
 ST              0.0     -2306920.0          127.6           5.16
 C3            247.5      -0.003206            0.0        -2051.9           0.00
 V11        0.000029          985.0           4.07        -0.0041           1.00
 LA1            1710          10.03           0.05
mont                  CA(1)MG(1)SI(1)O(4)                    mont           code
 ST              0.0     -2251260.0          109.5          5.148
 C3            250.7      -0.010433      -797200.0        -1996.1           0.00
 V11       0.0000287         1134.0           3.87        -0.0034           0.00
chum                  MG(9)SI(4)H(2)O(18)                    chum           code
 ST              0.0     -9613540.0          440.5         19.801
 C3           1071.0      -0.016533     -7899600.0        -7373.9           0.00
 V11        0.000032         1199.0           4.58        -0.0038           0.00
chdr                  MG(5)SI(2)H(2)O(10)                    chdr           code
 ST              0.0     -5254890.0          260.0         11.084
 C3            625.0      -0.001088     -2259900.0        -4910.7           0.00
 V11       0.0000182         1161.0            4.8        -0.0041           0.00
mwd                   MG(2)SI(1)O(4)                          mwd           code
 ST              0.0     -2138520.0           93.9          4.051
 C3            208.7       0.003942     -1709500.0        -1302.8           0.00
 V11       0.0000237         1726.0           3.84        -0.0022           0.00
fwd                   FE(2)SI(1)O(4)                          fwd           code
 ST              0.0     -1467900.0          146.0          4.321
 C3            201.1        0.01733     -1960600.0         -900.9           0.00
 V11       0.0000273         1690.0           4.35        -0.0026           0.00
mrw                   MG(2)SI(1)O(4)                          mrw           code
 ST              0.0     -2127680.0           90.0          3.949
 C3            213.3        0.00269     -1410400.0        -1495.9           0.00
 V11       0.0000201         1781.0           4.35        -0.0024           0.00
frw                   FE(2)SI(1)O(4)                          frw           code
 ST              0.0     -1471760.0          140.0          4.203
 C3            166.8        0.04261     -1705400.0         -541.4           0.00
 V11       0.0000222         1977.0           4.92        -0.0025           0.00
mpv                   MG(1)SI(1)O(3)                          mpv           code
 ST              0.0     -1443030.0           62.6          2.445
 C3            149.3       0.002918     -2983000.0         -799.1           0.00
 V11       0.0000187         2510.0           4.14        -0.0016           0.00
fpv                   FE(1)SI(1)O(3)                          fpv           code
 ST              0.0     -1084640.0           91.0          2.548
 C3            133.2        0.01083     -3661400.0         -314.7           0.00
 V11       0.0000187         2810.0           4.14        -0.0016           0.00
apv                   AL(2)O(3)                               apv           code
 ST              0.0     -1646630.0           51.8           2.54
 C3            139.5        0.00589     -2460600.0         -589.2           0.00
 V11        0.000018         2030.0            4.0         -0.002           0.00
cpv                   CA(1)SI(1)O(3)                          cpv           code
 ST              0.0     -1541730.0           73.5          2.745
 C3            159.3            0.0      -967300.0        -1075.4           0.00
 V11       0.0000187         2360.0            3.9        -0.0016           0.00
mak                   MG(1)SI(1)O(3)                          mak           code
 ST              0.0     -1490870.0           59.3          2.635
 C3            147.8       0.002015     -2395000.0         -801.8           0.00
 V11       0.0000212         2110.0           4.55        -0.0022           0.00
fak                   FE(1)SI(1)O(3)                          fak           code
 ST              0.0     -1142140.0           91.5           2.76
 C3            100.3       0.013328     -4364900.0          419.8           0.00
 V11       0.0000212         2180.0           4.55        -0.0022           0.00
*** MuNERAL DATA ***
maj                   MG(4)SI(4)O(12)                         maj           code
 ST              0.0     -6050400.0          255.2         11.457
 C3            713.6      -0.000997     -1158200.0        -6622.3           0.00
 V11       0.0000183         1600.0           4.56        -0.0028           0.00
py                    MG(3)AL(2)SI(3)O(12)                     py           code
 ST              0.0     -6281960.0          269.5         11.313
 C3            633.5            0.0     -5196100.0        -4315.2           0.00
 V11       0.0000237         1743.0           4.05        -0.0023           0.00
alm                   FE(3)AL(2)SI(3)O(12)                    alm           code
 ST              0.0     -5260700.0          342.0         11.525
 C3            677.3            0.0     -3772700.0        -5044.0           0.00
 V11       0.0000212         1900.0           2.98        -0.0016           0.00
spss                  MN(3)AL(2)SI(3)O(12)                   spss           code
 ST              0.0     -5693490.0          335.3         11.792
 C3            646.9            0.0     -4525800.0        -4452.8           0.00
 V11       0.0000227         1740.0           6.68        -0.0038           0.00
gr                    CA(3)AL(2)SI(3)O(12)                     gr           code
 ST              0.0     -6643010.0          255.0         12.535
 C3            626.0            0.0     -5779200.0        -4002.9           0.00
 V11        0.000022         1720.0           5.53        -0.0032           0.00
andr                  CA(3)FE(2)SI(3)O(12)                   andr           code
 ST              0.0     -5769100.0          316.4         13.204
 C3            638.6            0.0     -4955100.0        -3989.2           0.00
 V11       0.0000286         1588.0           5.68        -0.0036           0.00
knor                  MG(3)CR(2)SI(3)O(12)                   knor           code
 ST              0.0     -5687710.0          317.0         11.738
 C3            613.0       0.003606     -4178000.0        -3729.4           0.00
 V11       0.0000237         1743.0           4.05        -0.0023           0.00
*** MuNERAL DATA ***
osma                  K(1)MG(2)AL(5)SI(10)O(30)              osma           code
 ST              0.0    -1.489631e7          755.0         37.893
 C3           1540.7      -0.011359      -1.0339e7       -11699.0           0.00
 V11       0.0000047         1290.0            4.1        -0.0031           0.00
osmm                  K(1)MG(3)AL(3)SI(11)O(30)              osmm           code
 ST              0.0    -1.478674e7          740.0          38.44
 C3           1525.5      -0.010267      -1.0538e7       -11337.0           0.00
 V11       0.0000047         1290.0            4.1        -0.0031           0.00
osfa                  K(1)FE(2)AL(5)SI(10)O(30)              osfa           code
 ST              0.0    -1.421549e7          780.0          38.45
 C3           1558.6      -0.011359     -9476500.0       -11845.0           0.00
 V11       0.0000049         1290.0            4.1        -0.0031           0.00
vsv                   CA(19)MG(2)AL(11)SI(18)H(9)O(78)        vsv           code
 ST              0.0    -4.234582e7         1890.0           85.2
 C3           4488.0      -0.057952     -2.22693e7       -33478.0           0.00
 V11       0.0000275         1255.0            4.8        -0.0038           0.00
and                   AL(2)SI(1)O(5)                          and           code
 ST              0.0     -2588670.0           92.7          5.153
 C3            277.3      -0.006588     -1914100.0        -2265.6           0.00
 V11       0.0000181         1442.0           6.89        -0.0048           0.00
ky                    AL(2)SI(1)O(5)                           ky           code
 ST              0.0     -2592970.0           83.5          4.414
 C3            279.4      -0.007124     -2055600.0        -2289.4           0.00
 V11       0.0000192         1601.0           4.05        -0.0025           0.00
sill                  AL(2)SI(1)O(5)                         sill           code
 ST              0.0     -2585790.0           95.4          4.986
 C3            280.2        -0.0069     -1375700.0        -2399.4           0.00
 V11       0.0000112         1640.0           5.06        -0.0031           2.00
 BW1          4750.0           0.01         4750.0           0.01            1.0           0.25
smul                  AL(2)SI(1)O(5)                         smul           code
 ST              0.0     -2569210.0          101.5          4.987
 C3            280.2        -0.0069     -1375700.0        -2399.4           0.00
 V11       0.0000136         1740.0            4.0        -0.0023           0.00
amul                  AL(2.5)SI(0.5)O(4.75)                  amul           code
 ST              0.0     -2485530.0          113.0          5.083
 C3            244.8       0.000968     -2533300.0        -1641.6           0.00
 V11       0.0000136         1740.0            4.0        -0.0023           0.00
tpz                   AL(2)SI(1)H(2)O(6)                      tpz           code
 ST              0.0     -2900710.0          100.5          5.339
 C3            387.7       -0.00712      -857200.0        -3744.2           0.00
 V11       0.0000157         1315.0           4.06        -0.0031           0.00
mst                   MG(4)AL(18)SI(7.5)H(4)O(48)             mst           code
 ST              0.0    -2.512374e7          910.0          44.26
 C3           2820.5      -0.059366      -1.3774e7       -24126.0           0.00
 V11       0.0000181         1684.0           4.05        -0.0024           0.00
fst                   FE(4)AL(18)SI(7.5)H(4)O(48)             fst           code
 ST              0.0    -2.375463e7         1010.0          44.88
 C3           2880.0      -0.056595      -1.0642e7       -25373.0           0.00
 V11       0.0000183         1800.0           4.76        -0.0026           0.00
mnst                  MN(4)AL(18)SI(7.5)H(4)O(48)            mnst           code
 ST              0.0    -2.424585e7         1034.0          45.46
 C3           2873.3      -0.089064      -1.2688e7       -24749.0           0.00
 V11       0.0000209         1800.0           4.76        -0.0026           0.00
mctd                  MG(1)AL(2)SI(1)H(2)O(7)                mctd           code
 ST              0.0     -3549250.0          146.0          6.875
 C3            417.4      -0.003771     -2920600.0        -3417.8           0.00
 V11       0.0000263         1456.0           4.06        -0.0028           0.00
fctd                  FE(1)AL(2)SI(1)H(2)O(7)                fctd           code
 ST              0.0     -3208290.0          167.0           6.98
 C3            416.1      -0.003477     -2835900.0        -3360.3           0.00
 V11        0.000028         1456.0           4.06        -0.0028           0.00
mnctd                 MN(1)AL(2)SI(1)H(2)O(7)               mnctd           code
 ST              0.0     -3336150.0          166.0          7.175
 C3            464.4      -0.012654     -1147200.0        -4341.0           0.00
 V11        0.000026         1456.0           4.06        -0.0028           0.00
merw                  CA(3)MG(1)SI(2)O(8)                    merw           code
 ST              0.0     -4545700.0          253.1          9.847
 C3            417.5       0.008117     -2923000.0        -2320.3           0.00
 V11       0.0000319         1200.0           4.07        -0.0034           0.00
spu                   CA(5)SI(2)C(1)O(11)                     spu           code
 ST              0.0     -5846720.0          332.0         14.697
 C3            614.1      -0.003508     -2493100.0        -4168.0           0.00
 V11        0.000034          950.0           4.09        -0.0043           0.00
zo                    CA(2)AL(3)SI(3)H(1)O(13)                 zo           code
 ST              0.0     -6896290.0          298.0         13.575
 C3            662.0       0.010416     -6006400.0        -4260.7           0.00
 V11       0.0000312         1044.0            4.0        -0.0038           0.00
cz                    CA(2)AL(3)SI(3)H(1)O(13)                 cz           code
 ST              0.0     -6895540.0          301.0          13.63
 C3            630.9       0.013693     -6645800.0        -3731.1           0.00
 V11       0.0000233         1197.0           4.07        -0.0034           0.00
ep                    CA(2)FE(1)AL(2)SI(3)H(1)O(13)            ep           code
 ST              0.0     -6473830.0          315.0          13.92
 C3            613.3        0.02207     -7160000.0        -2987.7           0.00
 V11       0.0000234         1340.0            4.0         -0.003           0.00
fep                   CA(2)FE(2)AL(1)SI(3)H(1)O(13)           fep           code
 ST              0.0     -6028590.0          329.0          14.21
 C3            584.7       0.030447     -7674200.0        -2244.3           0.00
 V11       0.0000231         1513.0            4.0        -0.0026           0.00
pmt                   CA(2)MN(1)AL(2)SI(3)H(1)O(13)           pmt           code
 ST              0.0     -6543030.0          340.0          13.82
 C3            569.8        0.02779     -5442900.0        -2812.6           0.00
 V11       0.0000238         1197.0           4.07        -0.0034           0.00
law                   CA(1)AL(2)SI(2)H(4)O(10)                law           code
 ST              0.0     -4868630.0          229.0         10.132
 C3            687.8       0.001566       375900.0        -7179.2           0.00
 V11       0.0000265         1229.0           5.45        -0.0044           0.00
mpm                   CA(4)MG(1)AL(5)SI(6)H(7)O(28)           mpm           code
 ST              0.0    -1.438691e7          629.0          29.55
 C3           1720.8      -0.024928     -5998700.0       -14620.3           0.00
 V11       0.0000248         1615.0           4.05        -0.0025           0.00
fpm                   CA(4)FE(1)AL(5)SI(6)H(7)O(28)           fpm           code
 ST              0.0    -1.403404e7          657.0          29.68
 C3           1737.2      -0.024582     -5161100.0       -14963.0           0.00
 V11       0.0000249         1615.0           4.05        -0.0025           0.00
jgd                   CA(4)FE(6)SI(6)H(7)O(28)                jgd           code
 ST              0.0    -1.180896e7          830.0          31.08
 C3           1795.4      -0.037986     -4455700.0       -14888.0           0.00
 V11       0.0000249         1615.0           4.05        -0.0025           0.00
geh                   CA(2)AL(2)SI(1)O(7)                     geh           code
 ST              0.0     -3992240.0          198.5          9.024
 C3            405.7      -0.007099     -1188300.0        -3174.4           0.00
 V11       0.0000223         1080.0           4.08        -0.0038           2.00
 BW1          7510.0           0.09         7500.0           0.09            1.0            0.8
ak                    CA(2)MG(1)SI(2)O(7)                      ak           code
 ST              0.0     -3865620.0          212.5          9.254
 C3            385.4       0.003209      -247500.0        -2889.9           0.00
 V11       0.0000257         1420.0           4.06        -0.0029           0.00
rnk                   CA(3)SI(2)O(7)                          rnk           code
 ST              0.0     -3943820.0          210.0          9.651
 C3            372.3      -0.002893     -2462400.0        -2181.3           0.00
 V11       0.0000328          950.0           4.09        -0.0043           0.00
ty                    CA(5)SI(2)C(2)O(13)                      ty           code
 ST              0.0     -6368040.0          390.0         17.039
 C3            741.7      -0.005345     -1434600.0        -5878.5           0.00
 V11       0.0000342          950.0           4.09        -0.0043           0.00
crd                   MG(2)AL(4)SI(5)O(18)                    crd           code
 ST              0.0     -9163430.0          404.1         23.322
 C3            906.1            0.0     -7902000.0        -6293.4           0.00
 V11       0.0000068         1290.0            4.1        -0.0031           2.00
 BW1         36710.0            0.1        36700.0            0.1            2.0            1.5
hcrd                  MG(2)AL(4)SI(5)H(2)O(19)               hcrd           code
 ST              0.0     -9448520.0          483.0         23.322
 C3            955.3            0.0     -8352600.0        -6301.2           0.00
 V11       0.0000067         1290.0            4.1        -0.0031           2.00
 BW1         36710.0            0.1        36700.0            0.1            2.0            1.5
fcrd                  FE(2)AL(4)SI(5)O(18)                   fcrd           code
 ST              0.0     -8444070.0          461.0          23.71
 C3            924.0            0.0     -7039400.0        -6439.6           0.00
 V11       0.0000067         1290.0            4.1        -0.0031           2.00
 BW1         36710.0            0.1        36700.0            0.1            2.0            1.5
mncrd                 MN(2)AL(4)SI(5)O(18)                  mncrd           code
 ST              0.0     -8693590.0          473.0         24.027
 C3            886.5            0.0     -8840000.0        -5590.4           0.00
 V11       0.0000069         1290.0            4.1        -0.0031           2.00
 BW1         36710.0            0.1        36700.0            0.1            2.0            1.5
phA                   MG(7)SI(2)H(6)O(14)                     phA           code
 ST              0.0     -7129620.0          350.5         15.422
 C3            962.0      -0.011521     -4517800.0        -7724.7           0.00
 V11       0.0000355         1450.0           4.06        -0.0028           0.00
sph                   CA(1)TI(1)SI(1)O(5)                     sph           code
 ST              0.0     -2601660.0          124.0          5.565
 C3            227.9       0.002924     -3539500.0         -894.3           0.00
 V11       0.0000158         1017.0           9.85        -0.0097           1.00
 LA1             485            0.4          0.005
cstn                  CA(1)SI(2)O(5)                         cstn           code
 ST              0.0     -2496350.0           99.5          4.818
 C3            205.6       0.006034     -5517700.0         -352.6           0.00
 V11       0.0000158         1782.0            4.0        -0.0022           0.00
zrc                   ZR(1)SI(1)O(4)                          zrc           code
 ST              0.0     -2035070.0          83.03          3.926
 C3            232.0      -0.014405            0.0        -2238.2           0.00
 V11       0.0000125         2301.0           4.04        -0.0018           0.00
en                    MG(2)SI(2)O(6)                           en           code
 ST              0.0     -3090220.0          132.5          6.262
 C3            356.2       -0.00299      -596900.0        -3185.3           0.00
 V11       0.0000227         1059.0           8.65        -0.0082           0.00
pren                  MG(2)SI(2)O(6)                         pren           code
 ST              0.0     -3084560.0          137.0          6.476
 C3            356.2       -0.00299      -596900.0        -3185.3           0.00
 V11        0.000023         1059.0           8.65        -0.0082           0.00
cen                   MG(2)SI(2)O(6)                          cen           code
 ST              0.0     -3091110.0          132.0          6.264
 C3            306.0      -0.003793     -3041700.0        -1852.1           0.00
 V11       0.0000211         1059.0           8.65        -0.0082           0.00
hen                   MG(2)SI(2)O(6)                          hen           code
 ST              0.0     -3082730.0          131.7          6.099
 C3            356.2       -0.00299      -596900.0        -3185.3           0.00
 V11       0.0000226         1500.0            5.5        -0.0036           0.00
fs                    FE(2)SI(2)O(6)                           fs           code
 ST              0.0     -2388710.0          189.9          6.592
 C3            398.7      -0.006579      1290100.0        -4058.0           0.00
 V11       0.0000326         1010.0           4.08         -0.004           0.00
mgts                  MG(1)AL(2)SI(1)O(6)                    mgts           code
 ST              0.0     -3196670.0          131.0           6.05
 C3            371.4      -0.004082      -398400.0        -3547.1           0.00
 V11       0.0000217         1028.0           8.55        -0.0083           0.00
di                    CA(1)MG(1)SI(2)O(6)                      di           code
 ST              0.0     -3201850.0          142.9          6.619
 C3            314.5       0.000041     -2745900.0        -2020.1           0.00
 V11       0.0000273         1192.0           5.19        -0.0044           0.00
hed                   CA(1)FE(1)SI(2)O(6)                     hed           code
 ST              0.0     -2842060.0          175.0          6.795
 C3            340.2       0.000812     -1047800.0        -2646.7           0.00
 V11       0.0000238         1192.0           3.97        -0.0033           0.00
jd                    NA(1)AL(1)SI(2)O(6)                      jd           code
 ST              0.0     -3025270.0          133.5           6.04
 C3            319.4       0.003616     -1173900.0        -2469.5           0.00
 V11        0.000021         1281.0           3.81         -0.003           0.00
acm                   NA(1)FE(1)SI(2)O(6)                     acm           code
 ST              0.0     -2583430.0          170.6          6.459
 C3            307.1       0.016758     -1685500.0        -2125.8           0.00
 V11       0.0000211         1060.0           4.08        -0.0038           0.00
kos                   NA(1)CR(1)SI(2)O(6)                     kos           code
 ST              0.0     -2746840.0         149.65          6.309
 C3            309.2       0.005419      -664600.0        -2176.6           0.00
 V11       0.0000194         1308.0            3.0        -0.0023           0.00
cats                  CA(1)AL(2)SI(1)O(6)                    cats           code
 ST              0.0     -3310110.0          135.0          6.356
 C3            347.6      -0.006974     -1781600.0        -2757.5           0.00
 V11       0.0000208         1192.0           5.19        -0.0044           2.00
 BW1          3800.0           0.01         3800.0           0.01            1.0           0.25
caes                  CA(0.5)AL(1)SI(2)O(6)                  caes           code
 ST              0.0     -3002020.0          127.0           6.05
 C3            362.0      -0.016944      -175900.0        -3565.7           0.00
 V11       0.0000231         1192.0           5.19        -0.0044           0.00
rhod                  MN(1)SI(1)O(3)                         rhod           code
 ST              0.0     -1322380.0          100.5          3.494
 C3            138.4       0.004088     -1936000.0         -538.9           0.00
 V11       0.0000281          840.0            4.0        -0.0048           0.00
pxmn                  MN(1)SI(1)O(3)                         pxmn           code
 ST              0.0     -1323160.0           99.3          3.472
 C3            138.4       0.004088     -1936000.0         -538.9           0.00
 V11        0.000028          840.0            4.0        -0.0048           0.00
wo                    CA(1)SI(1)O(3)                           wo           code
 ST              0.0     -1633770.0           82.5          3.993
 C3            159.3            0.0      -967300.0        -1075.4           0.00
 V11       0.0000254          795.0            4.1        -0.0052           0.00
pswo                  CA(1)SI(1)O(3)                         pswo           code
 ST              0.0     -1627960.0           87.8          4.008
 C3            157.8            0.0      -967300.0        -1075.4           0.00
 V11       0.0000285         1100.0           4.08        -0.0037           0.00
wal                   CA(1)SI(1)O(3)                          wal           code
 ST              0.0     -1625900.0           83.5         3.7633
 C3            159.3            0.0      -967300.0        -1075.4           0.00
 V11       0.0000254          795.0            4.1        -0.0052           0.00
tr                    CA(2)MG(5)SI(8)H(2)O(24)                 tr           code
 ST              0.0    -1.230487e7          553.0          27.27
 C3           1260.2        0.00383      -1.1455e7        -8237.6           0.00
 V11       0.0000261          762.0            4.1        -0.0054           0.00
fact                  CA(2)FE(5)SI(8)H(2)O(24)               fact           code
 ST              0.0    -1.050412e7          710.0          28.42
 C3           1290.0       0.029992     -8447500.0        -8947.0           0.00
 V11       0.0000288          760.0            4.1        -0.0054           0.00
ts                    CA(2)MG(3)AL(4)SI(6)H(2)O(24)            ts           code
 ST              0.0    -1.255527e7          533.0           26.8
 C3           1244.8       0.024348      -1.1965e7        -8112.1           0.00
 V11       0.0000266          760.0            4.1        -0.0054           0.00
parg                  NA(1)CA(2)MG(4)AL(3)SI(6)H(2)O(24)              parg      code
 ST              0.0    -1.266473e7          635.0          27.19
 C3           1280.2       0.022997     -1.23595e7        -8065.8           0.00
 V11        0.000028          912.0           4.09        -0.0045           0.00
gl                    NA(2)MG(3)AL(2)SI(8)H(2)O(24)            gl           code
 ST              0.0    -1.196024e7          530.0          25.98
 C3           1717.5       -0.12107      7075000.0       -19272.0           0.00
 V11       0.0000149          883.0           4.09        -0.0046           0.00
fgl                   NA(2)FE(3)AL(2)SI(8)H(2)O(24)           fgl           code
 ST              0.0    -1.088021e7          624.0          26.59
 C3           1762.9      -0.118992      9423700.0       -20207.1           0.00
 V11       0.0000183          890.0           4.09        -0.0046           0.00
rieb                  NA(2)FE(5)SI(8)H(2)O(24)               rieb           code
 ST              0.0    -1.002478e7          695.0          27.49
 C3           1787.3      -0.124882      9627100.0       -20275.5           0.00
 V11       0.0000181          890.0           4.09        -0.0046           0.00
anth                  MG(7)SI(8)H(2)O(24)                    anth           code
 ST              0.0    -1.206684e7          537.0          26.54
 C3           1277.3       0.025825     -9704600.0        -9074.7           0.00
 V11       0.0000252          700.0           4.11        -0.0059           0.00
fanth                 FE(7)SI(8)H(2)O(24)                   fanth           code
 ST              0.0     -9624520.0          725.0          27.87
 C3           1383.1       0.030669     -4224700.0       -11257.6           0.00
 V11       0.0000274          700.0           4.11        -0.0059           0.00
cumm                  MG(7)SI(8)H(2)O(24)                    cumm           code
 ST              0.0    -1.206469e7          538.0          26.33
 C3           1277.3       0.025825     -9704600.0        -9074.7           0.00
 V11       0.0000252          700.0           4.11        -0.0059           0.00
grun                  FE(7)SI(8)H(2)O(24)                    grun           code
 ST              0.0     -9607150.0          735.0          27.84
 C3           1383.1       0.030669     -4224700.0       -11257.6           0.00
 V11       0.0000274          648.0           4.12        -0.0064           0.00
ged                   MG(5)AL(4)SI(6)H(2)O(24)                ged           code
 ST              0.0    -1.232914e7          517.0         25.548
 C3           1307.7       0.023642     -9307400.0        -9799.0           0.00
 V11       0.0000241          770.0            4.1        -0.0053           0.00
spr4                  MG(4)AL(8)SI(2)O(20)                   spr4           code
 ST              0.0    -1.102202e7          425.5           19.9
 C3           1133.1      -0.007596     -8816600.0        -8180.6           0.00
 V11       0.0000205         2500.0           4.04        -0.0016           0.00
spr5                  MG(3)AL(10)SI(1)O(20)                  spr5           code
 ST              0.0    -1.113557e7          419.5          19.75
 C3           1103.4       0.001015      -1.0957e7        -7409.2           0.00
 V11       0.0000206         2500.0           4.04        -0.0016           0.00
fspr                  FE(4)AL(8)SI(2)O(20)                   fspr           code
 ST              0.0     -9659530.0          485.0         19.923
 C3           1132.9      -0.007348     -1.04202e7        -7036.6           0.00
 V11       0.0000196         2500.0           4.04        -0.0017           0.00
mcar                  MG(1)AL(2)SI(2)H(4)O(10)               mcar           code
 ST              0.0     -4771050.0          221.5          10.59
 C3            683.0      -0.014054       291000.0        -6976.4           0.00
 V11       0.0000243          525.0           4.14        -0.0079           0.00
fcar                  FE(1)AL(2)SI(2)H(4)O(10)               fcar           code
 ST              0.0     -4411440.0          251.1         10.695
 C3            686.6      -0.012415       186000.0        -6884.0           0.00
 V11       0.0000221          525.0           4.14        -0.0079           0.00
deer                  FE(18)SI(12)H(10)O(50)                 deer           code
 ST              0.0     -1.83414e7         1650.0          55.74
 C3           3164.4      -0.027883     -5039100.0       -26721.0           0.00
 V11       0.0000275          630.0           4.12        -0.0065           0.00
mu                    K(1)AL(3)SI(3)H(2)O(12)                  mu           code
 ST              0.0     -5976510.0          292.0         14.083
 C3            756.4       -0.01984     -2170000.0        -6979.2           0.00
 V11       0.0000307          490.0           4.15        -0.0085           0.00
cel                   K(1)MG(1)AL(1)SI(4)H(2)O(12)            cel           code
 ST              0.0     -5834840.0          290.0         13.957
 C3            741.2      -0.018748     -2368800.0        -6616.9           0.00
 V11       0.0000307          700.0           4.11        -0.0059           0.00
fcel                  K(1)FE(1)AL(1)SI(4)H(2)O(12)           fcel           code
 ST              0.0     -5468490.0          330.0          14.07
 C3            756.3      -0.019147     -1586100.0        -6928.7           0.00
 V11       0.0000318          700.0           4.11        -0.0059           0.00
pa                    NA(1)AL(3)SI(3)H(2)O(12)                 pa           code
 ST              0.0     -5942840.0          277.0         13.211
 C3            803.0       -0.03158       217000.0        -8151.0           0.00
 V11        0.000037          515.0           6.51        -0.0126           0.00
ma                    CA(1)AL(4)SI(2)H(2)O(12)                 ma           code
 ST              0.0     -6242070.0          265.0         12.964
 C3            744.4        -0.0168     -2074400.0        -6783.2           0.00
 V11       0.0000233         1000.0           4.08        -0.0041           0.00
phl                   K(1)MG(3)AL(1)SI(3)H(2)O(12)            phl           code
 ST              0.0     -6214880.0          326.0         14.964
 C3            770.3      -0.036939     -2328900.0        -6531.6           0.00
 V11        0.000038          513.0           7.33        -0.0143           0.00
ann                   K(1)FE(3)AL(1)SI(3)H(2)O(12)            ann           code
 ST              0.0     -5143720.0          420.0         15.432
 C3            815.7      -0.034861        19800.0        -7466.7           0.00
 V11        0.000038          513.0           7.33        -0.0143           0.00
mnbi                  K(1)MN(3)AL(1)SI(3)H(2)O(12)           mnbi           code
 ST              0.0     -5477520.0          433.0         15.264
 C3            809.9      -0.059213     -1514400.0        -6998.7           0.00
 V11        0.000038          530.0           7.33        -0.0143           0.00
east                  K(1)MG(2)AL(3)SI(2)H(2)O(12)           east           code
 ST              0.0     -6330380.0          318.0         14.738
 C3            785.5      -0.038031     -2130300.0        -6893.7           0.00
 V11        0.000038          530.0           7.33        -0.0143           0.00
naph                  NA(1)MG(3)AL(1)SI(3)H(2)O(12)          naph           code
 ST              0.0     -6172010.0          318.0          14.45
 C3            773.5      -0.040229     -2597900.0        -6512.6           0.00
 V11       0.0000328          513.0           7.33        -0.0143           0.00
clin                  MG(5)AL(2)SI(3)H(8)O(18)               clin           code
 ST              0.0     -8909160.0          437.0          21.14
 C3           1170.8      -0.001508     -3825800.0       -10315.0           0.00
 V11       0.0000204          870.0           4.09        -0.0047           0.00
ames                  MG(4)AL(4)SI(2)H(8)O(18)               ames           code
 ST              0.0     -9040460.0          412.0          20.71
 C3           1186.0      -0.002599     -3627200.0       -10677.0           0.00
 V11         0.00002          870.0           4.09        -0.0047           0.00
afchl                 MG(6)SI(4)H(8)O(18)                   afchl           code
 ST              0.0     -8727860.0          439.0          21.57
 C3           1155.0      -0.000417     -4024400.0        -9952.9           0.00
 V11       0.0000204          870.0           4.09        -0.0047           0.00
daph                  FE(5)AL(2)SI(3)H(8)O(18)               daph           code
 ST              0.0     -7116910.0          584.0          21.62
 C3           1192.0       -0.00594     -4826400.0        -9768.3           0.00
 V11       0.0000227          870.0           4.09        -0.0047           0.00
mnchl                 MN(5)AL(2)SI(3)H(8)O(18)              mnchl           code
 ST              0.0     -7702320.0          595.0          22.59
 C3           1136.5      -0.005243     -5548100.0        -8911.5           0.00
 V11       0.0000223          870.0           4.09        -0.0047           0.00
sud                   MG(2)AL(4)SI(3)H(8)O(18)                sud           code
 ST              0.0     -8626540.0          395.0           20.3
 C3           1436.1      -0.048749     -2748500.0       -13764.0           0.00
 V11       0.0000199          870.0           4.09        -0.0047           0.00
fsud                  FE(2)AL(4)SI(3)H(8)O(18)               fsud           code
 ST              0.0     -7899850.0          456.0           20.4
 C3           1466.3      -0.047365     -1182800.0       -14388.0           0.00
 V11       0.0000208          870.0           4.09        -0.0047           0.00
prl                   AL(2)SI(4)H(2)O(12)                     prl           code
 ST              0.0     -5640610.0          239.0         12.804
 C3            784.5      -0.042948      1251000.0        -8495.9           0.00
 V11        0.000045          370.0           10.0        -0.0271           0.00
ta                    MG(3)SI(4)H(2)O(12)                      ta           code
 ST              0.0     -5897170.0          259.0         13.665
 C3            622.2            0.0     -6385500.0        -3916.3           0.00
 V11        0.000018          430.0           6.17        -0.0144           0.00
fta                   FE(3)SI(4)H(2)O(12)                     fta           code
 ST              0.0     -4798540.0          352.0         14.225
 C3            579.7       0.039494     -6459300.0        -3088.1           0.00
 V11        0.000018          430.0           6.17        -0.0144           0.00
tats                  MG(2)AL(2)SI(3)H(2)O(12)               tats           code
 ST              0.0     -6001290.0          259.0          13.51
 C3            549.5       0.036324     -8606600.0        -2515.3           0.00
 V11        0.000018          430.0           6.17        -0.0144           0.00
tap                   AL(2)SI(4)H(2)O(12)                     tap           code
 ST              0.0     -5649780.0          235.0          13.45
 C3            784.5      -0.042948      1251000.0        -8495.9           0.00
 V11        0.000045          370.0           10.0        -0.0271           0.00
minn                  FE(3)SI(4)H(2)O(12)                    minn           code
 ST              0.0     -4819310.0          355.0         14.851
 C3            579.7       0.039494     -6459300.0        -3088.1           0.00
 V11        0.000018          430.0           6.17        -0.0144           0.00
minm                  MG(3)SI(4)H(2)O(12)                    minm           code
 ST              0.0     -5866000.0          263.9         14.291
 C3            622.2            0.0     -6385500.0        -3916.3           0.00
 V11        0.000018          430.0           6.17        -0.0144           0.00
kao                   AL(2)SI(2)H(4)O(9)                      kao           code
 ST              0.0     -4122000.0          203.7          9.934
 C3            436.7      -0.034295     -4055900.0        -2699.1           0.00
 V11       0.0000251          645.0           4.12        -0.0064           0.00
pre                   CA(2)AL(2)SI(3)H(2)O(12)                pre           code
 ST              0.0     -6202170.0          292.8         14.026
 C3            724.9      -0.013865     -2059000.0        -6323.9           0.00
 V11       0.0000158         1093.0           4.01        -0.0037           0.00
fpre                  CA(2)FE(1)AL(1)SI(3)H(2)O(12)          fpre           code
 ST              0.0     -5766640.0          320.0           14.8
 C3            737.1       -0.01681     -1957300.0        -6358.1           0.00
 V11       0.0000158         1093.0           4.01        -0.0037           0.00
chr                   MG(3)SI(2)H(4)O(9)                      chr           code
 ST              0.0     -4361000.0          221.3         10.746
 C3            624.7       -0.02077     -1721800.0        -5619.4           0.00
 V11        0.000022          628.0            4.0        -0.0064           0.00
liz                   MG(3)SI(2)H(4)O(9)                      liz           code
 ST              0.0     -4369190.0          212.0         10.645
 C3            614.7       -0.02077     -1721800.0        -5619.4           0.00
 V11        0.000022          710.0            3.2        -0.0045           0.00
glt                   FE(3)SI(2)H(4)O(9)                      glt           code
 ST              0.0     -3297620.0          310.0          11.98
 C3            576.4       0.002984     -3757000.0        -4166.2           0.00
 V11       0.0000228          630.0            4.0        -0.0063           0.00
fstp                  K(0.5)FE(5)AL(2)SI(8)H(12.5)O(30.5)              fstp      code
 ST              0.0    -1.255107e7          930.2         37.239
 C3           1944.3      -0.012289     -4840200.0       -16635.0           0.00
 V11       0.0000368          513.0           7.33        -0.0143           0.00
mstp                  K(0.5)MG(5)AL(2)SI(8)H(12.5)O(30.5)              mstp      code
 ST              0.0    -1.428838e7          847.4         36.577
 C3           1862.2      -0.014018     -8983100.0       -14923.0           0.00
 V11       0.0000371          513.0           7.33        -0.0143           0.00
atg                   MG(48)SI(34)H(62)O(147)                 atg           code
 ST              0.0    -7.140469e7         3620.0         175.48
 C3           9621.0      -0.091183     -3.59416e7       -83034.2           0.00
 V11        0.000028          631.0           5.92        -0.0094           0.00
ab                    NA(1)AL(1)SI(3)O(8)                      ab           code
 ST              0.0     -3935480.0          207.4         10.067
 C3            452.0      -0.013364     -1275900.0        -3953.6           0.00
 V11       0.0000236          541.0           5.91        -0.0109           2.00
 BW1         14000.0          0.042        13000.0          0.042            3.0            0.9
abh                   NA(1)AL(1)SI(3)O(8)                     abh           code
 ST              0.0     -3921480.0          224.3         10.105
 C3            452.0      -0.013364     -1275900.0        -3953.6           0.00
 V11       0.0000241          541.0           5.91        -0.0109           0.00
mic                   K(1)AL(1)SI(3)O(8)                      mic           code
 ST              0.0     -3975350.0          214.3         10.871
 C3            448.8      -0.010075     -1007300.0        -3973.1           0.00
 V11       0.0000166          583.0           4.02        -0.0069           0.00
san                   K(1)AL(1)SI(3)O(8)                      san           code
 ST              0.0     -3966700.0          214.3         10.871
 C3            448.8      -0.010075     -1007300.0        -3973.1           0.00
 V11       0.0000166          583.0           4.02        -0.0069           2.00
 BW1          8650.0          0.024         8500.0          0.024            3.0            0.8
an                    CA(1)AL(2)SI(2)O(8)                      an           code
 ST              0.0     -4232690.0          200.5         10.079
 C3            370.5        0.01001     -4339100.0        -1960.6           0.00
 V11       0.0000141          860.0           4.09        -0.0048           2.00
 BW1         42010.0            0.1        42000.0            0.1            1.0            2.0
kcm                   K(1)AL(1)SI(3)H(2)O(9)                  kcm           code
 ST              0.0     -4232640.0          281.5         11.438
 C3            536.5       -0.01009      -980400.0        -4735.0           0.00
 V11       0.0000321          425.0            2.0        -0.0047           0.00
wa                    K(2)SI(4)O(9)                            wa           code
 ST              0.0     -4271890.0          254.0         10.844
 C3            499.1            0.0            0.0        -4350.1           0.00
 V11       0.0000266          900.0            4.0        -0.0044           0.00
hol                   K(1)AL(1)SI(3)O(8)                      hol           code
 ST              0.0     -3791960.0          166.2          7.128
 C3            417.6      -0.003617     -4748100.0        -2819.9           0.00
 V11        0.000028         1800.0            4.0        -0.0022           0.00
q                     SI(1)O(2)                                 q           code
 ST              0.0      -910720.0          41.43          2.269
 C3             92.9      -0.000642      -714900.0         -716.1           0.00
 V11             0.0          730.0            6.0        -0.0082           1.00
 LA1             847           4.95         0.1188
trd                   SI(1)O(2)                               trd           code
 ST              0.0      -907110.0           44.1            2.8
 C3             74.9         0.0031     -1174000.0         -236.7           0.00
 V11             0.0          150.0           4.36        -0.0291           0.00
crst                  SI(1)O(2)                              crst           code
 ST              0.0      -904270.0          50.86          2.745
 C3             72.7       0.001304     -4129000.0            0.0           0.00
 V11             0.0          160.0           4.35        -0.0272           0.00
coe                   SI(1)O(2)                               coe           code
 ST              0.0      -907000.0           39.6          2.064
 C3            107.8      -0.003279      -190300.0        -1041.6           0.00
 V11       0.0000123          979.0           4.19        -0.0043           0.00
stv                   SI(1)O(2)                               stv           code
 ST              0.0      -876390.0           24.0          1.401
 C3             68.1        0.00601     -1978200.0          -82.1           0.00
 V11       0.0000158         3090.0            4.6        -0.0015           0.00
ne                    NA(1)AL(1)SI(1)O(4)                      ne           code
 ST              0.0     -2094560.0          124.4          5.419
 C3            272.7      -0.012398            0.0        -2763.1           0.00
 V11       0.0000463          465.0           4.16        -0.0089           1.00
 LA1             467           10.0           0.08
cg                    NA(1)AL(1)SI(1)O(4)                      cg           code
 ST              0.0     -2091720.0          118.7          5.603
 C3            116.1       0.086021     -1992700.0            0.0           0.00
 V11        0.000045          465.0           4.16        -0.0089           0.00
cgh                   NA(1)AL(1)SI(1)O(4)                     cgh           code
 ST              0.0     -2078010.0          135.0           5.67
 C3            229.2       0.011876            0.0        -1970.7           0.00
 V11       0.0000467          465.0           4.16        -0.0089           0.00
sdl                   NA(8)AL(6)SI(6)CL(2)O(24)               sdl           code
 ST              0.0    -1.340553e7          910.0          42.13
 C3           1532.7       0.047747     -2972800.0       -12427.0           0.00
 V11       0.0000463          465.0           4.16        -0.0089           0.00
kls                   K(1)AL(1)SI(1)O(4)                      kls           code
 ST              0.0     -2122960.0          136.0          6.052
 C3            242.0      -0.004482      -895800.0        -1935.8           0.00
 V11       0.0000316          514.0            2.0        -0.0039           0.00
lc                    K(1)AL(1)SI(2)O(6)                       lc           code
 ST              0.0     -3029270.0          198.5          8.826
 C3            369.8      -0.016332       684700.0        -3683.1           0.00
 V11       0.0000185          450.0            5.7        -0.0127           2.00
 BW1         11610.0            0.4        11600.0            0.4            2.0            0.7
me                    CA(4)AL(6)SI(6)C(1)O(27)                 me           code
 ST              0.0    -1.384182e7          752.0         33.985
 C3           1359.0       0.036442     -8594700.0        -9598.2           0.00
 V11       0.0000181          870.0           4.09        -0.0047           0.00
wrk                   CA(1)AL(2)SI(4)H(4)O(14)                wrk           code
 ST              0.0     -6662450.0          380.0          19.04
 C3            838.3       -0.02146     -2272000.0        -7292.3           0.00
 V11       0.0000149          860.0           4.09        -0.0048           0.00
lmt                   CA(1)AL(2)SI(4)H(8)O(16)                lmt           code
 ST              0.0     -7262700.0          465.0          20.37
 C3           1013.4      -0.021413     -2235800.0        -8806.7           0.00
 V11       0.0000137          860.0           4.09        -0.0048           0.00
heu                   CA(1)AL(2)SI(7)H(12)O(24)               heu           code
 ST              0.0    -1.054522e7          783.0           31.7
 C3           1504.8      -0.033224     -2959300.0       -13297.2           0.00
 V11       0.0000157          274.0            4.0        -0.0146           0.00
stlb                  CA(1)AL(2)SI(7)H(14)O(25)              stlb           code
 ST              0.0    -1.089676e7          710.0          32.87
 C3           1588.4      -0.032043     -3071600.0       -13966.9           0.00
 V11       0.0000151          860.0           4.09        -0.0048           0.00
anl                   NA(1)AL(1)SI(2)H(2)O(7)                 anl           code
 ST              0.0     -3307220.0          232.0           9.74
 C3            643.5      -0.016067      9302300.0        -9179.6           0.00
 V11       0.0000276          400.0           4.18        -0.0104           0.00
lime                  CA(1)O(1)                              lime           code
 ST              0.0      -634530.0           38.1          1.676
 C3             52.4       0.003673      -750700.0          -51.0           0.00
 V11       0.0000341         1130.0           3.87        -0.0034           0.00
ru                    TI(1)O(2)                                ru           code
 ST              0.0      -944360.0           50.5          1.882
 C3             90.4         0.0029            0.0         -623.8           0.00
 V11       0.0000224         2220.0           4.24        -0.0019           0.00
per                   MG(1)O(1)                               per           code
 ST              0.0      -601530.0           26.5          1.125
 C3             60.5       0.000362      -535800.0         -299.2           0.00
 V11       0.0000311         1616.0           3.95        -0.0024           0.00
fper                  FE(1)O(1)                              fper           code
 ST              0.0      -259870.0           58.6          1.206
 C3             44.4        0.00828     -1214200.0          185.2           0.00
 V11       0.0000322         1520.0            4.9        -0.0032           0.00
mang                  MN(1)O(1)                              mang           code
 ST              0.0      -385550.0           59.7          1.322
 C3             59.8         0.0036       -31400.0         -282.6           0.00
 V11       0.0000369         1645.0           4.46        -0.0027           0.00
cor                   AL(2)O(3)                               cor           code
 ST              0.0     -1675270.0           50.9          2.558
 C3            139.5        0.00589     -2460600.0         -589.2           0.00
 V11        0.000018         2540.0           4.34        -0.0017           0.00
mcor                  MG(1)SI(1)O(3)                         mcor           code
 ST              0.0     -1474440.0           59.3          2.635
 C3            147.8       0.002015     -2395000.0         -801.8           0.00
 V11       0.0000212         2110.0           4.55        -0.0022           0.00
hem                   FE(2)O(3)                               hem           code
 ST              0.0      -825610.0           87.4          3.027
 C3            163.9            0.0     -2257200.0         -657.6           0.00
 V11       0.0000279         2230.0           4.04        -0.0018           1.00
 LA1             955           15.6            0.0
esk                   CR(2)O(3)                               esk           code
 ST              0.0     -1137320.0           83.0          2.909
 C3            119.0       0.009496     -1442000.0           -3.4           0.00
 V11       0.0000159         2380.0            4.0        -0.0017           0.00
bix                   MN(2)O(3)                               bix           code
 ST              0.0      -959000.0          113.7          3.137
 C3            145.1       0.023534       721600.0        -1008.4           0.00
 V11       0.0000291         2230.0           4.04        -0.0018           0.00
NiO                   NI(1)O(1)                               NiO           code
 ST              0.0      -239470.0           38.0          1.097
 C3             47.7       0.007824      -392500.0            0.0           0.00
 V11        0.000033         2000.0           3.94         -0.002           1.00
 LA1             520            5.7            0.0
pnt                   MN(1)TI(1)O(3)                          pnt           code
 ST              0.0     -1361950.0          105.5          3.288
 C3            143.5       0.003373     -1940700.0         -407.6           0.00
 V11        0.000024         1700.0            8.3        -0.0049           0.00
geik                  MG(1)TI(1)O(3)                         geik           code
 ST              0.0     -1568960.0           73.6          3.086
 C3            151.0            0.0     -1890400.0         -652.2           0.00
 V11       0.0000215         1700.0            8.3        -0.0049           0.00
ilm                   FE(1)TI(1)O(3)                          ilm           code
 ST              0.0     -1230450.0          109.5          3.169
 C3            138.9       0.005081     -1288800.0         -463.7           0.00
 V11        0.000024         1700.0            8.3        -0.0049           1.00
 LA1            1900           12.0           0.02
bdy                   ZR(1)O(2)                               bdy           code
 ST              0.0     -1100340.0           50.4          2.115
 C3            103.5      -0.004547      -416200.0         -713.6           0.00
 V11         0.00002          953.0           3.88        -0.0041           0.00
ten                   CU(1)O(1)                               ten           code
 ST              0.0      -156100.0           42.6          1.222
 C3             31.0        0.01374     -1258000.0          369.3           0.00
 V11       0.0000357         2000.0           3.94         -0.002           0.00
cup                   CU(2)O(1)                               cup           code
 ST              0.0      -170600.0           92.4          2.344
 C3            110.3            0.0            0.0         -674.8           0.00
 V11       0.0000333         1310.0            5.7        -0.0043           0.00
sp                    MG(1)AL(2)O(4)                           sp           code
 ST              0.0     -2301190.0           82.0          3.978
 C3            222.9       0.006127     -1686000.0        -1551.0           0.00
 V11       0.0000193         1922.0           4.04        -0.0021           2.00
 BW1          8000.0            0.0         1200.0            0.0            2.0            0.5
herc                  FE(1)AL(2)O(4)                         herc           code
 ST              0.0     -1953030.0          113.9          4.075
 C3            216.7       0.005868     -2430200.0        -1178.3           0.00
 V11       0.0000206         1922.0           4.04        -0.0021           2.00
 BW1         18300.0            0.0        13600.0            0.0            2.0            1.0
mt                    FE(3)O(4)                                mt           code
 ST              0.0     -1114500.0          146.9          4.452
 C3            262.5      -0.007205     -1926200.0        -1655.7           0.00
 V11       0.0000371         1857.0           4.05        -0.0022           1.00
 LA1             848           35.0            0.0
mft                   FE(2)MG(1)O(4)                          mft           code
 ST              0.0     -1442290.0          121.0          4.457
 C3            270.5      -0.007505      -999200.0        -2022.4           0.00
 V11       0.0000363         1857.0           4.05        -0.0022           1.00
 LA1             665           17.0            0.0
usp                   FE(2)TI(1)O(4)                          usp           code
 ST              0.0     -1491120.0          180.0          4.682
 C3           -102.6        0.14252     -9144500.0         5270.7           0.00
 V11       0.0000386         1857.0           4.05        -0.0022           0.00
picr                  MG(1)CR(2)O(4)                         picr           code
 ST              0.0     -1762600.0          118.3          4.356
 C3            196.1       0.005398     -3126000.0         -616.9           0.00
 V11        0.000018         1922.0           4.04        -0.0021           2.00
 BW1          8000.0            0.0         1200.0            0.0            2.0            0.5
br                    MG(1)H(2)O(2)                            br           code
 ST              0.0      -925560.0           63.2          2.463
 C3            158.4      -0.004076     -1052300.0        -1171.3           0.00
 V11        0.000062          415.0           6.45        -0.0155           0.00
dsp                   AL(1)H(1)O(2)                           dsp           code
 ST              0.0      -999840.0           34.5          1.786
 C3            145.1       0.008709       584400.0        -1741.1           0.00
 V11       0.0000357         2280.0           4.04        -0.0018           0.00
gth                   FE(1)H(1)O(2)                           gth           code
 ST              0.0      -561770.0           60.3          2.082
 C3            139.3       0.000147      -212700.0        -1077.8           0.00
 V11       0.0000435         2500.0           4.03        -0.0016           0.00
cc                    CA(1)C(1)O(3)                            cc           code
 ST              0.0     -1207760.0           92.5          3.689
 C3            140.9       0.005029      -950700.0         -858.4           0.00
 V11       0.0000252          733.0           4.06        -0.0055           1.00
 LA1            1240           10.0           0.04
arag                  CA(1)C(1)O(3)                          arag           code
 ST              0.0     -1207650.0           89.8          3.415
 C3            167.1       0.010695       162000.0        -1564.9           0.00
 V11       0.0000614          614.0           5.87        -0.0096           0.00
mag                   MG(1)C(1)O(3)                           mag           code
 ST              0.0     -1110920.0           65.5          2.803
 C3            186.4      -0.003772            0.0        -1886.2           0.00
 V11       0.0000338         1028.0           5.41        -0.0053           0.00
sid                   FE(1)C(1)O(3)                           sid           code
 ST              0.0      -762220.0           93.3          2.943
 C3            168.4            0.0            0.0        -1483.6           0.00
 V11       0.0000439         1200.0           4.07        -0.0034           0.00
rhc                   MN(1)C(1)O(3)                           rhc           code
 ST              0.0      -892280.0           98.0          3.107
 C3            169.5            0.0            0.0        -1534.3           0.00
 V11       0.0000244          953.0           3.88        -0.0041           0.00
dol                   CA(1)MG(1)C(2)O(6)                      dol           code
 ST              0.0     -2326220.0          156.1          6.429
 C3            358.9      -0.004905            0.0        -3456.2           0.00
 V11       0.0000328          943.0           3.74         -0.004           2.00
 BW1         11910.0          0.016        11900.0          0.016            1.0            1.0
ank                   CA(1)FE(1)C(2)O(6)                      ank           code
 ST              0.0     -1971410.0         188.46          6.606
 C3            341.0      -0.001161            0.0        -3054.8           0.00
 V11       0.0000346          914.0           3.88        -0.0043           2.00
 BW1         11910.0          0.016        11900.0          0.016            1.0            1.0
syv                   K(1)CL(1)                               syv           code
 ST              0.0      -436500.0           82.6          3.752
 C3             46.2        0.01797            0.0            0.0           0.00
 V11       0.0001109          170.0            5.0        -0.0294           0.00
hlt                   NA(1)CL(1)                              hlt           code
 ST              0.0      -411300.0           72.1          2.702
 C3             45.2        0.01797            0.0            0.0           0.00
 V11       0.0001147          238.0            5.0         -0.021           0.00
pyr                   FE(1)S(2)                               pyr           code
 ST              0.0      -171640.0           52.9          2.394
 C3             37.3       0.026715     -1817000.0          649.3           0.00
 V11        0.000031         1395.0           4.09        -0.0029           0.00
trot                  FE(1)S(1)                              trot           code
 ST              0.0       -99030.0           65.5          1.819
 C3             50.2       0.011052      -940000.0            0.0           0.00
 V11       0.0000568          658.0           4.17        -0.0063           1.00
 LA1             598           12.0          0.041
tro                   FE(1)S(1)                               tro           code
 ST              0.0       -97760.0           70.8          1.819
 C3             50.2       0.011052      -940000.0            0.0           0.00
 V11       0.0000573          658.0           4.17        -0.0063           1.00
 LA1             598           12.0          0.041
lot                   FE(1)S(1)                               lot           code
 ST              0.0      -102160.0           60.0          1.818
 C3             50.2       0.011052      -940000.0            0.0           0.00
 V11       0.0000493          658.0           4.17        -0.0063           1.00
 LA1             420           10.0            0.0
trov                  FE(0.875)S(1)                          trov           code
 ST              0.0       -96020.0           57.5          1.738
 C3             51.1       0.008307      -669700.0            0.0           0.00
 V11       0.0000594          658.0           4.17        -0.0063           1.00
 LA1             595           10.0          0.016
any                   CA(1)S(1)O(4)                           any           code
 ST              0.0     -1434400.0          106.9          4.594
 C3            128.7       0.048545     -1223000.0         -560.5           0.00
 V11       0.0000418          543.8           4.19        -0.0077           0.00
iron                  FE(1)                                  iron           code
 ST              0.0            0.0          27.09          0.709
 C3             46.2       0.005159       723100.0         -556.2           0.00
 V11       0.0000356         1640.0           5.16        -0.0031           1.00
 LA1            1042            8.3            0.0
Ni                    NI(1)                                    Ni           code
 ST              0.0            0.0          29.87          0.659
 C3             49.8            0.0       585900.0         -533.9           0.00
 V11       0.0000428         1905.0           4.25        -0.0022           1.00
 LA1             631            3.0            0.0
Cu                    CU(1)                                    Cu           code
 ST              0.0            0.0          33.14          0.711
 C3             12.4        0.00922      -379900.0          233.5           0.00
 V11       0.0000358         1625.0           4.24        -0.0026           0.00
gph                   C(1)                                    gph           code
 ST              0.0            0.0           5.76           0.53
 C3             34.3            0.0      -240700.0         -403.8           0.00
 V11       0.0000165          312.0            3.9        -0.0125           0.00
diam                  C(1)                                   diam           code
 ST              0.0         1890.0           2.36          0.342
 C3             40.0            0.0       -28500.0         -580.5           0.00
 V11        0.000004         4465.0           1.61       -0.00036           0.00
S                     S(1)                                      S           code
 ST              0.0            0.0          32.05          1.551
 C3             56.6      -0.004557       638000.0         -681.8           0.00
 V11        0.000064          145.0            7.0         -0.048           0.00
*** MuNERAL DATA ***
syvL                  K(1)CL(1)                              syvL           code
 ST              0.0      -417410.0           94.5          3.822
 C3             66.9            0.0            0.0            0.0           0.00
 V11        0.000301           56.0           4.65         -0.083           4.00
 DK1           -0.02
hltL                  NA(1)CL(1)                             hltL           code
 ST              0.0      -392990.0           80.1          2.938
 C3             72.0      -0.003223            0.0            0.0           0.00
 V11        0.000295           64.0           4.61         -0.072           4.00
 DK1          -0.015
perL                  MG(1)O(1)                              perL           code
 ST              0.0      -654120.0          -64.3          0.839
 C3             99.0            0.0            0.0            0.0           0.00
 V11        0.000226          362.0          10.06        -0.0278           4.00
 DK1          -0.041
limL                  CA(1)O(1)                              limL           code
 ST              0.0      -692280.0          -47.5          1.303
 C3             99.0            0.0            0.0            0.0           0.00
 V11        0.000175          362.0          10.06        -0.0278           4.00
 DK1          -0.041
corL                  AL(2)O(3)                              corL           code
 ST              0.0     -1632160.0           14.9          3.369
 C3            157.6            0.0            0.0            0.0           0.00
 V11       0.0000703          150.0            6.0           0.04           4.00
 DK1          -0.035
qL                    SI(1)O(2)                                qL           code
 ST              0.0      -921070.0           16.3           2.73
 C3             82.5            0.0            0.0            0.0           0.00
 V11             0.0          220.0           9.46         -0.043           4.00
 DK1          -0.035
h2oL                  H(2)O(1)                               h2oL           code
 ST              0.0      -295010.0           45.5           1.39
 C3             80.0            0.0            0.0            0.0           0.00
 V11        0.000521           50.6            4.0         -0.079           4.00
 DK1         -0.0037
foL                   MG(2)SI(1)O(4)                          foL           code
 ST              0.0     -2237350.0          -62.0          4.312
 C3            269.4            0.0            0.0            0.0           0.00
 V11        0.000092          362.0          10.06        -0.0278           4.00
 DK1          -0.044
faL                   FE(2)SI(1)O(4)                          faL           code
 ST              0.0     -1463020.0           96.0          4.677
 C3            243.7            0.0            0.0            0.0           0.00
 V11       0.0001071          290.0          10.42        -0.0359           4.00
 DK1          -0.055
woL                   CA(1)SI(1)O(3)                          woL           code
 ST              0.0     -1642220.0           22.5          3.965
 C3            167.4            0.0            0.0            0.0           0.00
 V11       0.0000669          305.0           9.38        -0.0308           4.00
 DK1           -0.02
enL                   MG(2)SI(2)O(6)                          enL           code
 ST              0.0     -3096570.0           -4.0          6.984
 C3            353.6            0.0            0.0            0.0           0.00
 V11       0.0000681          218.0            7.2         -0.033           4.00
 DK1          -0.024
diL                   CA(1)MG(1)SI(2)O(6)                     diL           code
 ST              0.0     -3193870.0           42.1          7.288
 C3            334.0            0.0            0.0            0.0           0.00
 V11       0.0000851          249.0           8.04        -0.0323           4.00
 DK1         -0.0373
silL                  AL(2)SI(1)O(5)                         silL           code
 ST              0.0     -2593430.0           10.0          6.051
 C3            253.0            0.0            0.0            0.0           0.00
 V11       0.0000408          220.0           6.36        -0.0289           4.00
 DK1          -0.029
anL                   CA(1)AL(2)SI(2)O(8)                     anL           code
 ST              0.0     -4277970.0           29.0         10.014
 C3            430.0            0.0            0.0            0.0           0.00
 V11       0.0000514          210.0           6.38        -0.0304           4.00
 DK1          -0.055
kspL                  K(1)AL(1)SI(3)O(8)                     kspL           code
 ST              0.0     -3985190.0          129.2         11.431
 C3            368.0            0.0            0.0            0.0           0.00
 V11       0.0000493          173.0           6.84        -0.0393           4.00
 DK1          -0.009
abL                   NA(1)AL(1)SI(3)O(8)                     abL           code
 ST              0.0     -3926520.0          149.9         10.858
 C3            358.0            0.0            0.0            0.0           0.00
 V11       0.0000337          176.0          14.35        -0.0815           4.00
 DK1          -0.026
neL                   NA(1)AL(1)SI(1)O(4)                     neL           code
 ST              0.0     -2116730.0           52.9            5.2
 C3            216.5            0.0            0.0            0.0           0.00
 V11        0.000137          250.0           7.37        -0.0295           4.00
 DK1          -0.008
lcL                   K(1)AL(1)SI(2)O(6)                      lcL           code
 ST              0.0     -3068410.0          102.0           8.59
 C3            287.0            0.0            0.0            0.0           0.00
 V11        0.000067          175.0            7.0        -0.0394           4.00
 DK1             0.0
*** Au2 DATA ***  !AQ2 data not tested
H+                    H(1)O2-(-1)                              H+           code
 ST              0.0            0.0            0.0            0.0
 C3              0.0            0.0            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1             0.0
Cl-                   CL(1)O2-(1)                             Cl-           code
 ST              0.0      -167080.0          56.73          1.779
 C3              0.0            0.0            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1         -0.1414
OH-                   H(1)O(1)O2-(1)                          OH-           code
 ST              0.0      -230020.0         -10.71         -0.418
 C3              0.0            0.0            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1         -0.1372
Na+                   NA(1)O2-(-1)                            Na+           code
 ST              0.0      -240300.0           58.4         -0.111
 C3              0.0         0.1913            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1          0.0306
K+                    K(1)O2-(-1)                              K+           code
 ST              0.0      -252170.0         101.04          0.906
 C3              0.0         0.0727            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1          0.0072
Ca++                  CA(1)O2-(-2)                           Ca++           code
 ST              0.0      -543300.0          -56.5         -1.806
 C3              0.0         -0.069            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1         -0.0463
Mg++                  MG(1)O2-(-2)                           Mg++           code
 ST              0.0      -465960.0         -138.1         -2.155
 C3              0.0        -0.0462            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1         -0.0265
Fe++                  FE(1)O2-(-2)                           Fe++           code
 ST              0.0       -90420.0        -107.11          -2.22
 C3              0.0            0.0            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1         -0.0339
Al+++                 AL(1)O2-(-3)                          Al+++           code
 ST              0.0      -527230.0         -316.3          -4.44
 C3              0.0            0.0            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1         -0.1427
CO3--                 C(1)O(3)O2-(2)                        CO3--           code
 ST              0.0      -675230.0          -50.0         -0.502
 C3              0.0            0.0            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1         -0.2908
AlOH3                 AL(1)H(3)O(3)                         AlOH3           code
 ST              0.0     -1251850.0           53.6            0.0
 C3              0.0            0.0            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1          0.1015
AlOH4-                AL(1)H(4)O(4)O2-(1)                  AlOH4-           code
 ST              0.0     -1495780.0          126.9            0.0
 C3              0.0            0.0            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1          0.0965
KOH                   K(1)H(1)O(1)                            KOH           code
 ST              0.0      -473620.0         109.62           -0.8
 C3              0.0         0.0945            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1         -0.0293
HCl                   CL(1)H(1)                               HCl           code
 ST              0.0      -162130.0          56.73          1.779
 C3              0.0         0.0903            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1           0.054
KCl                   K(1)CL(1)                               KCl           code
 ST              0.0      -400030.0         184.81          4.409
 C3              0.0         0.0543            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1          -0.038
NaCl                  NA(1)CL(1)                             NaCl           code
 ST              0.0      -399880.0         126.09          2.226
 C3              0.0         0.1913            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1          -0.002
CaCl2                 CA(1)CL(2)                            CaCl2           code
 ST              0.0      -877060.0           46.0           3.26
 C3              0.0         0.1369            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1          0.0343
CaCl+                 CA(1)CL(1)O2-(-1)                     CaCl+           code
 ST              0.0      -701280.0          27.36          0.574
 C3              0.0         -0.069            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1            0.04
MgCl2                 MG(1)CL(2)                            MgCl2           code
 ST              0.0      -796080.0         -22.43           2.92
 C3              0.0         0.2399            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1          0.0186
MgCl+                 MG(1)CL(1)O2-(-1)                     MgCl+           code
 ST              0.0      -632480.0         -81.37          0.126
 C3              0.0        -0.0462            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1          0.1126
FeCl2                 FE(1)CL(2)                            FeCl2           code
 ST              0.0      -375340.0         109.88            2.7
 C3              0.0         0.4503            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1          0.0124
aqSi                  SI(1)O(2)                              aqSi           code
 ST              0.0      -887830.0          46.35          1.832
 C3              0.0         0.1775            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1          0.0283
HS-                   S(1)H(1)O2-(1)                          HS-           code
 ST              0.0       -16110.0           68.2          2.065
 C3              0.0            0.0            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1          -0.092
HSO3-                 S(1)H(1)O(3)O2-(1)                    HSO3-           code
 ST              0.0      -626220.0         139.75           3.33
 C3              0.0            0.0            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1         -0.0058
SO42-                 S(1)O(4)O2-(2)                        SO42-           code
 ST              0.0      -909600.0          18.83          1.388
 C3              0.0            0.0            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1           0.268
HSO4-                 S(1)H(1)O(4)O2-(1)                    HSO4-           code
 ST              0.0      -889100.0         125.52           3.52
 C3              0.0            0.0            0.0            0.0           0.00
 V11             0.0            0.0            0.0            0.0           3.00
 HQ1           0.022

