25
     O         AL        BA        C         CA        CL        CO
     CU        F         FE        H         K         MN        MG
     NA        NI        P         S         SI        SR        TI
     ZN        ZR        B         E
  15.99940  26.98154 137.32700  12.01100  40.07800  35.45270  58.93320
  63.54600  18.99840  55.84700   1.00794  39.09830  54.93085  24.30500
  22.98977  58.69000  30.97362  32.06600  28.08550  87.62000  47.88000
  65.39000  91.22400  10.81000   1.00000
   0.0       1.5       1.0       2.0       1.0       0.0       1.0
   1.0       0.0       1.0       0.5       0.5       1.0       1.0
   0.5       1.0       1.0       0.0       2.0       1.0       2.0
   1.0       2.0       0.0       0.0
**** MINERAL DATA *****    from Holland and Powell (1998+)
forsterite           SI(1)MG(2)O(4)    fo            2nh
 ST              0.0   -2172200.000        95.1000         4.3660
 C3        233.30000      0.0014940      -603800.0      -1869.700           0.00
 VHP     0.000061300         1250.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000187500
fayalite             SI(1)FE(2)O(4)    fa            2nh
 ST              0.0   -1478150.000       151.0000         4.6310
 C3        201.10000      0.0173300     -1960600.0       -900.900           0.00
 VHP     0.000050500         1330.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000199500
tephroite            SI(1)MN(2)O(4)    teph          2nh
 ST              0.0   -1732280.000       155.9000         4.8990
 C3        219.60000      0.0000000     -1292700.0      -1308.300           0.00
 VHP     0.000050500         1200.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000180000
larn-bredigite       SI(1)CA(2)O(4)    lrn           2nh
 ST              0.0   -2307200.000       127.6000         5.1600
 C3        247.50000     -0.0032060            0.0      -2051.900           0.00
 VHP     0.000050500         1200.0      1710.0000          10.03        0.05000
 VH2         10.0000         4.0000   -0.000180000
monticellite         SI(1)MG(1)CA(1)O(4)    mont          1nh
 ST              0.0   -2253050.000       108.1000         5.1480
 C3        250.70000     -0.0104330      -797200.0      -1996.100           0.00
 VHP     0.000056300         1120.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000168000
clinohumite          SI(4)MG(9)O(18)H(2)    chum          8nh
 ST              0.0   -9607320.000       445.0000        19.7850
 C3       1070.00000     -0.0165330     -7899600.0      -7373.900           0.00
 VHP     0.000061000         1290.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000193500
pyrope               SI(3)AL(2)MG(3)O(12)    py            3nh
 ST              0.0   -6284720.000       266.3000        11.3180
 C3        633.50000      0.0000000     -5196100.0      -4315.200           0.00
 VHP     0.000043600         1737.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000260550
almandine            SI(3)AL(2)FE(3)O(12)    alm           3nh
 ST              0.0   -5263520.000       340.0000        11.5110
 C3        677.30000      0.0000000     -3772700.0      -5044.000           0.00
 VHP     0.000040300         1690.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000253500
spessartine          SI(3)AL(2)MN(3)O(12)    spss          3nh
 ST              0.0   -5646400.000       367.0000        11.7920
 C3        584.60000     -0.0015930     -7516700.0      -2750.100           0.00
 VHP     0.000046200         1790.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000268500
grossular            SI(3)AL(2)CA(3)O(12)    gr            3nh
 ST              0.0   -6644150.000       255.0000        12.5350
 C3        626.00000      0.0000000     -5779200.0      -4002.900           0.00
 VHP     0.000039300         1680.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000252000
andradite            SI(3)FE(2)CA(3)O(12)    andr          3nh
 ST              0.0   -5768130.000       318.0000        13.2040
 C3        638.60000      0.0000000     -4955100.0      -3989.200           0.00
 VHP     0.000039300         1590.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000238500
osumilitE_1          SI(10)AL(5)MG(2)K(1)O(30)    osm1         2nh
 ST              0.0  -14967900.000       701.0000        37.8930
 C3       1625.80000     -0.0355480     -8063500.0     -13490.900           0.00
 VHP     0.000007600          810.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000121500
osumilitE_2          SI(11)AL(3)MG(3)K(1)O(30)    osm2         3nh
 ST              0.0  -14809710.000       724.0000        38.4400
 C3       1610.60000     -0.0344570     -8262100.0     -13128.800           0.00
 VHP     0.000007600          810.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000121500
Fe-osumilite         SI(10)AL(5)FE(2)K(1)O(30)    fosm         1nh
 ST              0.0  -14248330.000       762.0000        38.3200
 C3       1656.00000     -0.0341630     -6497700.0     -14114.300           0.00
 VHP     0.000008000          800.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000120000
!osumilitE_1          SI(10)AL(5)MG(2)K(1)O(30)    osm1          2nh
! ST              0.0  -14968190.000       701.0000        37.8930
! C3       1625.80000     -0.0355480     -8063500.0     -13490.900           0.00
! VHP     0.000007600          810.0         0.0000           0.00        0.00000
! VH2         10.0000         4.0000   -0.000121500
!osumilitE_2          SI(11)AL(3)MG(3)K(1)O(30)    osm2          3nh
! ST              0.0  -14810340.000       724.0000        38.4400
! C3       1610.60000     -0.0344570     -8262100.0     -13128.800           0.00
! VHP     0.000007600          810.0         0.0000           0.00        0.00000
! VH2         10.0000         4.0000   -0.000121500
!Fe-osumilite         SI(10)AL(5)FE(2)K(1)O(30)    fosm          1nh
! ST              0.0  -14248460.000       762.0000        38.3200
! C3       1656.00000     -0.0341630     -6497700.0     -14114.300           0.00
! VHP     0.000008000          800.0         0.0000           0.00        0.00000
! VH2         10.0000         4.0000   -0.000120000
vesuvianite          SI(18)AL(11)MG(2)CA(19)O(78)H(9)    vsv           1nh
 ST              0.0  -42352670.000      1890.0000        85.2000
 C3       4488.00000     -0.0579520    -22269300.0     -33478.000           0.00
 VHP     0.000050000         1670.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000250500
andalusite           SI(1)AL(2)O(5)    and           1nh
 ST              0.0   -2588800.000        92.7000         5.1530
 C3        277.30000     -0.0065880     -1914100.0      -2265.600           0.00
 VHP     0.000041100         1334.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000200100
kyanite              SI(1)AL(2)O(5)    ky            1nh
 ST              0.0   -2593110.000        83.5000         4.4140
 C3        279.40000     -0.0071240     -2055600.0      -2289.400           0.00
 VHP     0.000040400         1590.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000238500
sillimanite          SI(1)AL(2)O(5)    sill          1nh
 ST              0.0   -2585680.000        95.5000         4.9860
 C3        280.20000     -0.0069000     -1375700.0      -2399.400           0.00
 VHP     0.000022100         1320.0      2200.0000           4.00        0.03500
 VH2         10.0000         4.0000   -0.000198000
hydroxy-topaz        SI(1)AL(2)O(6)H(2)    tpz           1nh
 ST              0.0   -2904980.000       100.5000         5.3390
 C3        387.70000     -0.0071200      -857200.0      -3744.200           0.00
 VHP     0.000040400         1315.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000197250
Mg-staurolite        SI(7.5)AL(18)MG(4)O(48)H(4)    mst           4nh
 ST              0.0  -25101490.000       910.0000        44.2600
 C3       2820.50000     -0.0593660    -13774000.0     -24126.000           0.00
 VHP     0.000012000         1200.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000180000
Fe-staurolite        SI(7.5)AL(18)FE(4)O(48)H(4)    fst           4nh
 ST              0.0  -23753930.000      1010.0000        44.8800
 C3       2880.00000     -0.0565950    -10642000.0     -25373.000           0.00
 VHP     0.000012000         1200.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000180000
Mn-staurolite        SI(7.5)AL(18)MN(4)O(48)H(4)    mnst          4nh
 ST              0.0  -24203880.000      1024.0000        45.4600
 C3       2873.30000     -0.0890640    -12688000.0     -24749.000           0.00
 VHP     0.000012000         1200.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000180000
Mg-chloritoid        SI(1)AL(2)MG(1)O(7)H(2)    mctd          1nh
 ST              0.0   -3551420.000       140.0000         6.8750
 C3        464.40000     -0.0126540     -1147200.0      -4341.000           0.00
 VHP     0.000054200         1465.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000219750
Fe-chloritoid        SI(1)AL(2)FE(1)O(7)H(2)    fctd          1nh
 ST              0.0   -3215380.000       155.0000         6.9800
 C3        484.60000     -0.0138080      -198900.0      -4762.200           0.00
 VHP     0.000054200         1465.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000219750
Mn-chloritoid        SI(1)AL(2)MN(1)O(7)H(2)    mnctd         1nh
 ST              0.0   -3329280.000       166.0000         7.1750
 C3        464.40000     -0.0126540     -1147200.0      -4341.000           0.00
 VHP     0.000054200         1465.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000219750
merwinite            SI(2)MG(1)CA(3)O(8)    merw          1nh
 ST              0.0   -4546420.000       253.1000         9.8470
 C3        417.50000      0.0081170     -2923000.0      -2320.300           0.00
 VHP     0.000061500         1200.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000180000
spurrite             SI(2)CA(5)O(11)C(1)    spu           5nh
 ST              0.0   -5849520.000       330.0000        14.6970
 C3        614.10000     -0.0035080     -2493100.0      -4168.000           0.00
 VHP     0.000065000          950.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000142500
zoisite              SI(3)AL(3)CA(2)O(13)H(1)    zo            1nh
 ST              0.0   -6898610.000       297.0000        13.5750
 C3        595.70000      0.0622970     -5921300.0      -3394.700           0.00
 VHP     0.000067000         1120.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000168000
clinozoisite         SI(3)AL(3)CA(2)O(13)H(1)    cz            1nh
 ST              0.0   -6898150.000       301.0000        13.6300
 C3        567.00000      0.0180630     -7034000.0      -2603.000           0.00
 VHP     0.000046000         1120.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000168000
Fe-epidote           SI(3)AL(1)FE(2)CA(2)O(13)H(1)    fep           2nh
 ST              0.0   -6002180.000       357.0000        14.1900
 C3        520.10000      0.0314990    -15426000.0        218.800           0.00
 VHP     0.000050500         1294.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000199280
epidote              SI(3)AL(2)FE(1)CA(2)O(13)H(1)    ep            2nh
 ST              0.0   -6463210.000       328.0000        13.9100
 C3        544.60000      0.0247810    -11230000.0      -1192.100           0.00
 VHP     0.000050500         1233.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000184950
lawsonite            SI(2)AL(2)CA(1)O(10)H(4)    law           1nh
 ST              0.0   -4869140.000       230.0000        10.1320
 C3        687.80000      0.0015660       375900.0      -7179.200           0.00
 VHP     0.000058200         1014.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000152100
pumpellyite          SI(6)AL(5)MG(1)CA(4)O(28)H(7)    pump          4nh
 ST              0.0  -14389500.000       629.0000        29.5500
 C3       1720.80000     -0.0249280     -5998700.0     -14620.300           0.00
 VHP     0.000050000         1615.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000242250
gehlenite            SI(1)AL(2)CA(2)O(7)    geh           1nh
 ST              0.0   -3986880.000       202.0000         9.0240
 C3        405.70000     -0.0070990     -1188300.0      -3174.400           0.00
 VHP     0.000041700         1080.0       700.0000          11.00        0.09700
 VH2         10.0000         4.0000   -0.000162000
akermanite           SI(2)MG(1)CA(2)O(7)    ak            1nh
 ST              0.0   -3866360.000       212.5000         9.2540
 C3        385.40000      0.0032090      -247500.0      -2889.900           0.00
 VHP     0.000050800         1420.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000213000
rankinite            SI(2)CA(3)O(7)    rnk           3nh
 ST              0.0   -3944430.000       210.0000         9.6510
 C3        372.30000     -0.0028930     -2462400.0      -2181.300           0.00
 VHP     0.000065000          950.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000142500
tilleyite            SI(2)CA(5)O(13)C(2)    ty            5nh
 ST              0.0   -6368160.000       390.0000        17.0390
 C3        741.70000     -0.0053450     -1434600.0      -5878.500           0.00
 VHP     0.000065000          950.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000142500
cordierite           SI(5)AL(4)MG(2)O(18)    crd           1nh
 ST              0.0   -9163370.000       407.5000        23.3220
 C3        821.30000      0.0433390     -8211200.0      -5000.000           0.00
 VHP     0.000007600          810.0      1800.0000          20.00        0.20000
 VH2         10.0000         4.0000   -0.000121500
hydr.cordierite      SI(5)AL(4)MG(2)O(19)H(2)    hcrd          1nh
 ST              0.0   -9446980.000       487.3000        23.3220
 C3        869.70000      0.0519950     -7723700.0      -5251.200           0.00
 VHP     0.000007600          810.0      1800.0000          20.00        0.20000
 VH2         10.0000         4.0000   -0.000121500
Fe-cordierite        SI(5)AL(4)FE(2)O(18)    fcrd          2nh
 ST              0.0   -8436070.000       475.0000        23.7100
 C3        851.50000      0.0447240     -6645000.0      -5623.400           0.00
 VHP     0.000007600          810.0      1800.0000          20.00        0.20000
 VH2         10.0000         4.0000   -0.000121500
Mn-cordierite        SI(5)AL(4)MN(2)O(18)    mncrd         1nh
 ST              0.0   -8681180.000       475.0000        24.0270
 C3        847.70000      0.0284900     -7668200.0      -5311.400           0.00
 VHP     0.000007600          810.0      1800.0000          20.00        0.20000
 VH2         10.0000         4.0000   -0.000121500
phase-A              SI(2)MG(7)O(14)H(6)    phA           7nh
 ST              0.0   -7130410.000       350.0000        15.4420
 C3        964.00000     -0.0115210     -4517800.0      -7724.700           0.00
 VHP     0.000082600         1450.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000217500
sphene               SI(1)TI(1)CA(1)O(5)    sph           1nh
 ST              0.0   -2595550.000       131.2000         5.5650
 C3        233.70000      0.0040430     -2306500.0      -1207.600           0.00
 VHP     0.000042000         1100.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000165000
zircon               SI(1)O(4)ZR(1)    zrc           2nh
 ST              0.0   -2032770.000        84.0300         3.9260
 C3        237.00000     -0.0178800      -149600.0      -2267.800           0.00
 VHP     0.000022200         1160.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000174000
enstatite            SI(2)MG(2)O(6)    en            1nh
 ST              0.0   -3090470.000       132.5000         6.2620
 C3        356.20000     -0.0029900      -596900.0      -3185.300           0.00
 VHP     0.000050500         1070.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000160500
ferrosilite          SI(2)FE(2)O(6)    fs            2nh
 ST              0.0   -2388630.000       190.6000         6.5920
 C3        398.70000     -0.0065790      1290100.0      -4058.000           0.00
 VHP     0.000063200         1010.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000151500
Mg-Tscher.pyx        SI(1)AL(2)MG(1)O(6)    mgts          1nh
 ST              0.0   -3189320.000       131.0000         5.9000
 C3        371.40000     -0.0040820      -398400.0      -3547.100           0.00
 VHP     0.000050800         1144.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000171600
diopside             SI(2)MG(1)CA(1)O(6)    di            1nh
 ST              0.0   -3202760.000       142.7000         6.6190
 C3        314.50000      0.0000410     -2745900.0      -2020.100           0.00
 VHP     0.000057000         1223.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000183450
hedenbergite         SI(2)FE(1)CA(1)O(6)    hed           2nh
 ST              0.0   -2844160.000       174.2000         6.7950
 C3        340.20000      0.0008120     -1047800.0      -2646.700           0.00
 VHP     0.000057000         1200.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000180000
jadeite              SI(2)AL(1)NA(1)O(6)    jd            1nh
 ST              0.0   -3027850.000       133.5000         6.0400
 C3        301.10000      0.0101430     -2239300.0      -2055.100           0.00
 VHP     0.000046600         1284.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000192600
acmite               SI(2)FE(1)NA(1)O(6)    acm           1nh
 ST              0.0   -2586650.000       170.6000         6.4590
 C3        307.10000      0.0167580     -1685500.0      -2125.800           0.00
 VHP     0.000046600         1060.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000159000
Ca-Tscher.pyx        SI(1)AL(2)CA(1)O(6)    cats          1nh
 ST              0.0   -3307030.000       138.0000         6.3560
 C3        347.60000     -0.0069740     -1781600.0      -2757.500           0.00
 VHP     0.000044300         1140.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000171000
rhodonite            SI(1)MN(1)O(3)    rhod          1nh
 ST              0.0   -1321750.000       100.5000         3.4940
 C3        138.40000      0.0040880     -1936000.0       -538.900           0.00
 VHP     0.000050800         1250.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000187500
pyroxmangite         SI(1)MN(1)O(3)    pxmn          1nh
 ST              0.0   -1322530.000        99.3000         3.4720
 C3        138.40000      0.0040880     -1936000.0       -538.900           0.00
 VHP     0.000050800         1250.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000187500
wollastonite         SI(1)CA(1)O(3)    wo            1nh
 ST              0.0   -1634060.000        82.5000         3.9930
 C3        159.30000      0.0000000      -967300.0      -1075.400           0.00
 VHP     0.000046000          795.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000119250
ps-wollastonite      SI(1)CA(1)O(3)    pswo          1nh
 ST              0.0   -1627690.000        88.2000         4.0080
 C3        157.80000      0.0000000      -967300.0      -1075.400           0.00
 VHP     0.000053900         1050.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000157500
tremolite            SI(8)MG(5)CA(2)O(24)H(2)    tr            2nh
 ST              0.0  -12310380.000       550.0000        27.2700
 C3       1260.20000      0.0038300    -11455000.0      -8237.600           0.00
 VHP     0.000053400          762.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000114300
ferroactinolite      SI(8)FE(5)CA(2)O(24)H(2)    fact          5nh
 ST              0.0  -10511240.000       705.0000        28.2800
 C3       1290.00000      0.0299910     -8447500.0      -8947.000           0.00
 VHP     0.000053400          760.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000114000
tschermakite         SI(6)AL(4)MG(3)CA(2)O(24)H(2)    ts            2nh
 ST              0.0  -12541200.000       545.0000        26.8000
 C3       1244.80000      0.0243480    -11965000.0      -8112.100           0.00
 VHP     0.000053400          760.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000114000
pargasite            SI(6)AL(3)MG(4)CA(2)NA(1)O(24)H(2)    parg          4nh
 ST              0.0  -12720650.000       601.0000        27.1900
 C3       1280.20000      0.0229970    -12359500.0      -8065.800           0.00
 VHP     0.000053400          912.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000136800
glaucophane          SI(8)AL(2)MG(3)NA(2)O(24)H(2)    gl            2nh
 ST              0.0  -11969470.000       535.0000        26.0500
 C3       1717.50000     -0.1210700      7075000.0     -19272.000           0.00
 VHP     0.000053000          883.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000132450
Fe-glaucophane       SI(8)AL(2)FE(3)NA(2)O(24)H(2)    fgl           3nh
 ST              0.0  -10889740.000       624.0000        26.5900
 C3       1762.90000     -0.1189920      9423700.0     -20207.100           0.00
 VHP     0.000053000          890.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000133500
riebeckite           SI(8)FE(5)NA(2)O(24)H(2)    rieb          2nh
 ST              0.0  -10035240.000       691.0000        27.4900
 C3       1746.90000     -0.1135720      9370300.0     -19468.700           0.00
 VHP     0.000053000          890.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000133500
anthophyllite        SI(8)MG(7)O(24)H(2)    anth          2nh
 ST              0.0  -12069200.000       536.0000        26.5400
 C3       1277.30000      0.0258250     -9704600.0      -9074.700           0.00
 VHP     0.000050000          700.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000105000
Fe-anthophyllite     SI(8)FE(7)O(24)H(2)    fanth         7nh
 ST              0.0   -9627230.000       725.0000        27.8700
 C3       1383.10000      0.0306690     -4224700.0     -11257.600           0.00
 VHP     0.000050000          700.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000105000
cummingtonite        SI(8)MG(7)O(24)H(2)    cumm          2nh
 ST              0.0  -12057480.000       540.0000        26.3300
 C3       1277.30000      0.0258250     -9704600.0      -9074.700           0.00
 VHP     0.000050000          700.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000105000
grunerite            SI(8)FE(7)O(24)H(2)    grun          7nh
 ST              0.0   -9613200.000       730.0000        27.8400
 C3       1383.10000      0.0306690     -4224700.0     -11257.600           0.00
 VHP     0.000050000          648.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000097200
gedrite              SI(6)AL(4)MG(5)O(24)H(2)    ged           5nh
 ST              0.0  -12319430.000       515.0000        25.8000
 C3       1307.70000      0.0236420     -9307400.0      -9799.000           0.00
 VHP     0.000048000          770.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000115500
sapphirine_351       SI(1)AL(10)MG(3)O(20)    spr5         4nh
 ST              0.0  -11138460.000       420.0000        19.7510
 C3       1175.50000     -0.0254160     -7508000.0      -9336.400           0.00
 VHP     0.000049000         1200.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000180000
sapphirine_221       SI(2)AL(8)MG(4)O(20)    spr4         4nh
 ST              0.0  -11003380.000       450.0000        19.9050
 C3       1160.30000     -0.0243240     -7706600.0      -8974.200           0.00
 VHP     0.000049000         1200.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000180000
Fe-sapph_221         SI(2)AL(8)FE(4)O(20)    fspr4        4nh
 ST              0.0   -9584630.000       552.0000        19.9230
 C3       1132.90000     -0.0073480    -10420200.0      -7036.600           0.00
 VHP     0.000049000         1200.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000180000
!sapphirine_221       SI(2)AL(8)MG(4)O(20)    spr4          4nh
! ST              0.0  -11019620.000       443.0000        19.9050
! C3       1160.30000     -0.0243240     -7706600.0      -8974.200           0.00
! VHP     0.000049000         1200.0         0.0000           0.00        0.00000
! VH2         10.0000         4.0000   -0.000180000
!sapphirine_793       SI(1.5)AL(9)MG(3.5)O(20)    spr7          4nh
! ST              0.0  -11065630.000       448.0000        19.7750
! C3       1167.90000     -0.0248700     -7607300.0      -9155.300           0.00
! VHP     0.000049000         1200.0         0.0000           0.00        0.00000
! VH2         10.0000         4.0000   -0.000180000
!fspr                 SI(1.5)AL(9)FE(3.5)O(20)    fspr          4nh
! ST              0.0   -9835510.000       551.0000        20.3910
! C3       1257.80000     -0.0221710     -1664000.0     -11348.400           0.00
! VHP     0.000049000         1200.0         0.0000           0.00        0.00000
! VH2         10.0000         4.0000   -0.000180000
Mg-carpholite        SI(2)AL(2)MG(1)O(10)H(4)    mcar          1nh
 ST              0.0   -4781240.000       210.0000        10.5900
 C3        667.80000     -0.0125590     -1167100.0      -6440.000           0.00
 VHP     0.000050000          525.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000078750
Fe-carpholite        SI(2)AL(2)FE(1)O(10)H(4)    fcar          1nh
 ST              0.0   -4413200.000       255.0000        10.6900
 C3        674.80000     -0.0100920      -715800.0      -6554.500           0.00
 VHP     0.000050000          525.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000078750
deerite              SI(12)FE(18)O(50)H(10)    deer         12nh
 ST              0.0  -18347650.000      1650.0000        55.7400
 C3       3164.40000     -0.0278830     -5039100.0     -26721.000           0.00
 VHP     0.000050000          630.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000094500
muscovite            SI(3)AL(3)K(1)O(12)H(2)    mu            2nh
 ST              0.0   -5984180.000       292.0000        14.0830
 C3        756.40000     -0.0198400     -2170000.0      -6979.200           0.00
 VHP     0.000059600          490.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000073500
celadonite           SI(4)AL(1)MG(1)K(1)O(12)H(2)    cel           1nh
 ST              0.0   -5842420.000       290.0000        13.9570
 C3        741.20000     -0.0187480     -2368800.0      -6616.900           0.00
 VHP     0.000059600          700.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000105000
Fe-celadonite        SI(4)AL(1)FE(1)K(1)O(12)H(2)    fcel          1nh
 ST              0.0   -5477430.000       329.0000        14.0700
 C3        756.30000     -0.0191470     -1586100.0      -6928.700           0.00
 VHP     0.000059600          700.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000105000
paragonite           SI(3)AL(3)NA(1)O(12)H(2)    pa            1nh
 ST              0.0   -5946340.000       276.0000        13.2110
 C3        803.00000     -0.0315800       217000.0      -8151.000           0.00
 VHP     0.000077400          550.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000082500
margarite            SI(2)AL(4)CA(1)O(12)H(2)    ma            1nh
 ST              0.0   -6241230.000       267.0000        12.9640
 C3        744.40000     -0.0168000     -2074400.0      -6783.200           0.00
 VHP     0.000048700         1300.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000195000
phlogopite           SI(3)AL(1)MG(3)K(1)O(12)H(2)    phl           2nh
 ST              0.0   -6219160.000       328.0000        14.9640
 C3        770.30000     -0.0369390     -2328900.0      -6531.600           0.00
 VHP     0.000057900          513.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000076950
annite               SI(3)AL(1)FE(3)K(1)O(12)H(2)    ann           3nh
 ST              0.0   -5151670.000       418.0000        15.4320
 C3        815.70000     -0.0348610        19800.0      -7466.700           0.00
 VHP     0.000057900          513.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000076950
Mn-biotite           SI(3)AL(1)MN(3)K(1)O(12)H(2)    mnbi          2nh
 ST              0.0   -5462840.000       433.0000        15.2640
 C3        809.90000     -0.0592130     -1514400.0      -6998.700           0.00
 VHP     0.000057900          513.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000076950
eastonite            SI(2)AL(3)MG(2)K(1)O(12)H(2)    east          2nh
 ST              0.0   -6338170.000       318.0000        14.7380
 C3        785.50000     -0.0380310     -2130300.0      -6893.700           0.00
 VHP     0.000057900          513.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000076950
Na-phlogopite        SI(3)AL(1)MG(3)NA(1)O(12)H(2)    naph          1nh
 ST              0.0   -6172820.000       318.0000        14.4500
 C3        773.50000     -0.0402290     -2597900.0      -6512.600           0.00
 VHP     0.000057900          513.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000076950
clinochlore          SI(3)AL(2)MG(5)O(18)H(8)    clin          2nh
 ST              0.0   -8912410.000       430.5000        21.0900
 C3       1161.80000      0.0101330     -7657300.0      -9690.900           0.00
 VHP     0.000039800          870.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000130500
amesite              SI(2)AL(4)MG(4)O(18)H(8)    ames          2nh
 ST              0.0   -9034440.000       410.0000        20.5200
 C3       1177.00000      0.0090410     -7458700.0     -10053.000           0.00
 VHP     0.000039800          870.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000130500
Al-free-chlorite     SI(4)MG(6)O(18)H(8)    afchl         2nh
 ST              0.0   -8727380.000       428.0000        21.6600
 C3       1146.60000      0.0112250     -7855900.0      -9328.800           0.00
 VHP     0.000039800          870.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000130500
daphnite             SI(3)AL(2)FE(5)O(18)H(8)    daph          3nh
 ST              0.0   -7134850.000       565.0000        21.3400
 C3       1237.40000      0.0135940     -3743000.0     -11250.000           0.00
 VHP     0.000039800          870.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000130500
Mn-chlorite          SI(3)AL(2)MN(5)O(18)H(8)    mnchl         2nh
 ST              0.0   -7666530.000       595.0000        22.5900
 C3       1227.80000     -0.0269900     -6299800.0     -10469.400           0.00
 VHP     0.000039800          870.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000130500
sudoite              SI(3)AL(4)MG(2)O(18)H(8)    sud           2nh
 ST              0.0   -8626160.000       404.0000        20.3000
 C3       1436.10000     -0.0487490     -2748500.0     -13764.000           0.00
 VHP     0.000039800          870.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000130500
Fe-sudoite           SI(3)AL(4)FE(2)O(18)H(8)    fsud          2nh
 ST              0.0   -7903900.000       462.0000        20.4000
 C3       1466.30000     -0.0473650     -1182800.0     -14388.000           0.00
 VHP     0.000039800          870.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000130500
pyrophyllite         SI(4)AL(2)O(12)H(2)    prl           2nh
 ST              0.0   -5640640.000       239.4000        12.8100
 C3        784.50000     -0.0429480      1251000.0      -8495.900           0.00
 VHP     0.000075000          525.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000078750
Mg-talc                 SI(4)MG(3)O(12)H(2)    ta            2nh
 ST              0.0   -5897100.000       260.0000        13.6250
 C3        622.20000      0.0000000     -6385500.0      -3916.300           0.00
 VHP     0.000037000          480.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000072000
Fe-talc              SI(4)FE(3)O(12)H(2)    fta           2nh
 ST              0.0   -4802920.000       352.0000        14.2250
 C3        579.70000      0.0394940     -6459300.0      -3088.100           0.00
 VHP     0.000037000          480.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000072000
tschermak-talc       SI(3)AL(2)MG(2)O(12)H(2)    tats          2nh
 ST              0.0   -5987990.000       259.0000        13.5100
 C3        549.50000      0.0363240     -8606600.0      -2515.300           0.00
 VHP     0.000037000          480.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000072000
kaolinite            SI(2)AL(2)O(9)H(4)    kao           2nh
 ST              0.0   -4122180.000       203.7000         9.9340
 C3        436.70000     -0.0342950     -4055900.0      -2699.100           0.00
 VHP     0.000051000          645.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000096750
prehnite             SI(3)AL(2)CA(2)O(12)H(2)    pre           1nh
 ST              0.0   -6203180.000       292.8000        14.0260
 C3        724.90000     -0.0138650     -2059000.0      -6323.900           0.00
 VHP     0.000051000          835.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000125250
chrysotile           SI(2)MG(3)O(9)H(4)    chr           3nh
 ST              0.0   -4359030.000       221.3000        10.7460
 C3        624.70000     -0.0207700     -1721800.0      -5619.400           0.00
 VHP     0.000047000          525.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000078750
antigorite           SI(34)MG(48)O(147)H(62)    atg          48nh
 ST              0.0  -71424310.000      3591.0000       175.4800
 C3       9621.00000     -0.0911830    -35941600.0     -83034.200           0.00
 VHP     0.000047000          525.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000078750
!albite               SI(3)AL(1)NA(1)O(8)    ab            1nh
! ST              0.0   -3934560.000       210.1000        10.0060
! C3        452.00000     -0.0133640     -1275900.0      -3953.600           0.00
! VHP     0.000045600          593.0       950.0000          16.00        0.12400
! VH2         10.0000         4.0000   -0.000088950
high-albite          SI(3)AL(1)NA(1)O(8)    abh           1nh
 ST              0.0   -3924800.000       223.4000        10.1090
 C3        452.00000     -0.0133640     -1275900.0      -3953.600           0.00
 VHP     0.000045600          593.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000088950
microcline           SI(3)AL(1)K(1)O(8)    mic           1nh
 ST              0.0   -3975110.000       216.0000        10.8920
 C3        448.80000     -0.0100750     -1007300.0      -3973.100           0.00
 VHP     0.000033500          574.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000086100
sanidine             SI(3)AL(1)K(1)O(8)    san           1nh
 ST              0.0   -3964960.000       230.0000        10.9000
 C3        448.80000     -0.0100750     -1007300.0      -3973.100           0.00
 VHP     0.000033500          574.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000086100
anorthite            SI(2)AL(2)CA(1)O(8)    an            1nh
 ST              0.0   -4233480.000       200.0000        10.0790
 C3        371.60000      0.0126150     -4110200.0      -2038.400           0.00
 VHP     0.000023800          919.0      2300.0000          11.00        0.05000
 VH2         10.0000         4.0000   -0.000137850
quartz               SI(1)O(2)    q             1nh
 ST              0.0    -910830.000        41.5000         2.2688
 C3        110.70000     -0.0051890            0.0      -1128.300           0.00
 VHP     0.000006500          750.0       847.0000           4.95        0.11880
 VH2         10.0000         4.0000   -0.000112500
tridymite            SI(1)O(2)    trd           1nh
 ST              0.0    -906690.000        46.1000         2.7000
 C3         97.90000     -0.0033500      -636200.0       -774.000           0.00
 VHP     0.000005000          750.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000112500
cristobalite         SI(1)O(2)    crst          1nh
 ST              0.0    -905990.000        46.5000         2.6100
 C3         97.90000     -0.0033500      -636200.0       -774.000           0.00
 VHP     0.000008100          600.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000090000
coesite              SI(1)O(2)    coe           1nh
 ST              0.0    -905470.000        40.8000         2.0640
 C3         96.50000     -0.0005770      -444800.0       -798.200           0.00
 VHP     0.000018000         1000.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000150000
stishovite           SI(1)O(2)    stv           1nh
 ST              0.0    -875630.000        24.5000         1.4014
 C3         68.10000      0.0060100     -1978200.0        -82.100           0.00
 VHP     0.000025000         3160.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000474000
nepheline            SI(1)AL(1)NA(1)O(4)    ne            1nh
 ST              0.0   -2095080.000       124.4000         5.4190
 C3        272.70000     -0.0123980            0.0      -2763.100           0.00
 VHP     0.000081000          600.0       467.0000          10.00        0.08000
 VH2         10.0000         4.0000   -0.000090000
kalsilite            SI(1)AL(1)K(1)O(4)    kals          1nh
 ST              0.0   -2121920.000       134.0000         6.0400
 C3        242.00000     -0.0044820      -895800.0      -1935.800           0.00
 VHP     0.000057600          590.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000088500
leucite              SI(2)AL(1)K(1)O(6)    lc            1nh
 ST              0.0   -3029160.000       200.0000         8.8280
 C3        369.80000     -0.0163320       684700.0      -3683.100           0.00
 VHP     0.000036700          630.0       938.0000          18.00        0.48200
 VH2         10.0000         4.0000   -0.000094500
meionite             SI(6)AL(6)CA(4)O(27)C(1)    me            4nh
 ST              0.0  -13843570.000       752.0000        33.9850
 C3       1359.00000      0.0364420     -8594700.0      -9598.200           0.00
 VHP     0.000031600          870.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000130500
wairakite            SI(4)AL(2)CA(1)O(14)H(4)    wrk           1nh
 ST              0.0   -6666420.000       375.0000        19.0400
 C3        838.30000     -0.0214600     -2272000.0      -7292.300           0.00
 VHP     0.000023800         1000.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000150000
laumontite           SI(4)AL(2)CA(1)O(16)H(8)    lmt           1nh
 ST              0.0   -7268470.000       457.0000        20.3700
 C3       1013.40000     -0.0214130     -2235800.0      -8806.700           0.00
 VHP     0.000023800         1000.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000150000
heulandite           SI(7)AL(2)CA(1)O(24)H(12)    heu           1nh
 ST              0.0  -10599140.000       669.0000        31.8000
 C3       1504.80000     -0.0332240     -2959300.0     -13297.200           0.00
 VHP     0.000023800         1000.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000150000
stilbite             SI(7)AL(2)CA(1)O(25)H(14)    stlb          1nh
 ST              0.0  -10898830.000       710.0000        32.8700
 C3       1588.40000     -0.0320430     -3071600.0     -13966.900           0.00
 VHP     0.000023800         1000.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000150000
analcite             SI(2)AL(1)NA(1)O(7)H(2)    anl           1nh
 ST              0.0   -3309900.000       232.0000         9.7400
 C3        643.50000     -0.0160670      9302300.0      -9179.600           0.00
 VHP     0.000050000          400.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000060000
lime                 CA(1)O(1)    lime          1nh
 ST              0.0    -634950.000        38.1000         1.6764
 C3         52.40000      0.0036730      -750700.0        -51.000           0.00
 VHP     0.000066500         1160.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000174000
rutile               TI(1)O(2)    ru            1nh
 ST              0.0    -944180.000        50.6000         1.8820
 C3         90.40000      0.0029000            0.0       -623.800           0.00
 VHP     0.000044300         2225.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000333750
periclase            MG(1)O(1)    per           1nh
 ST              0.0    -601600.000        26.9000         1.1250
 C3         60.50000      0.0003620      -535800.0       -299.200           0.00
 VHP     0.000062000         1650.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000247500
manganosite          MN(1)O(1)    mang          1nh
 ST              0.0    -385150.000        59.7000         1.3221
 C3         59.80000      0.0036000       -31400.0       -282.600           0.00
 VHP     0.000063000         1640.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000246000
corundum             AL(2)O(3)    cor           2nh
 ST              0.0   -1675250.000        50.9000         2.5580
 C3        139.50000      0.0058900     -2460600.0       -589.200           0.00
 VHP     0.000041900         2520.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000378000
hematite             FE(2)O(3)    hem           2nh
 ST              0.0    -825710.000        87.4000         3.0274
 C3        163.90000      0.0000000     -2257200.0       -657.600           0.00
 VHP     0.000059900         1996.0       955.0000          15.60        0.00000
 VH2         10.0000         4.0000   -0.000299400
nickel-oxide         O(1)NI(1)    NiO           1nh
 ST              0.0    -239440.000        38.0000         1.0970
 C3         47.70000      0.0078240      -392500.0          0.000           0.00
 VHP     0.000062000         1650.0       520.0000           5.70        0.00000
 VH2         10.0000         4.0000   -0.000247500
pyrophanite          TI(1)MN(1)O(3)    pnt           1nh
 ST              0.0   -1359240.000       104.9000         3.2880
 C3        141.90000      0.0033730     -1940700.0       -407.600           0.00
 VHP     0.000049500         1770.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000265500
geikielite           TI(1)MG(1)O(3)    geik          1nh
 ST              0.0   -1567490.000        74.6000         3.0860
 C3        151.00000      0.0000000     -1890400.0       -652.200           0.00
 VHP     0.000049500         1770.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000265500
!ilmenite             TI(1)FE(1)O(3)    ilm           1nh
! ST              0.0   -1231300.000       108.9000         3.1690
! C3        138.90000      0.0050810     -1288800.0       -463.700           0.00
! VHP     0.000049500         1770.0      1900.0000          11.00        0.02000
! VH2         10.0000         4.0000   -0.000265500
baddeleyite          O(2)ZR(1)    bdy           1nh
 ST              0.0   -1101030.000        50.4000         2.1150
 C3         90.70000      0.0000000      -813300.0       -438.800           0.00
 VHP     0.000037600         2225.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000333750
spinel               AL(2)MG(1)O(4)    sp            1nh
 ST              0.0   -2300720.000        81.5000         3.9780
 C3        242.70000     -0.0060370     -2315100.0      -1678.100           0.00
 VHP     0.000043100         1945.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000291750
hercynite            AL(2)FE(1)O(4)    herc          1nh
 ST              0.0   -1959150.000       107.5000         4.0750
 C3        283.30000     -0.0053760       609800.0      -2713.600           0.00
 VHP     0.000039500         2120.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000318000
magnetite            FE(3)O(4)    mt            2nh
 ST              0.0   -1115510.000       146.1000         4.4520
 C3        262.50000     -0.0072040     -1926200.0      -1655.700           0.00
 VHP     0.000069600         1850.0       848.0000          35.00        0.00000
 VH2         10.0000         4.0000   -0.000277500
magnesioferrite      FE(2)MG(1)O(4)    mft           2nh
 ST              0.0   -1440660.000       126.5000         4.4570
 C3        217.90000      0.0003550     -3108000.0       -745.900           0.00
 VHP     0.000069600         1850.0       665.0000          12.90        0.00000
 VH2         10.0000         4.0000   -0.000277500
ulvospinel           TI(1)FE(2)O(4)    usp           2nh
 ST              0.0   -1497490.000       175.0000         4.6820
 C3       -102.60000      0.1425200     -9144500.0       5270.700           0.00
 VHP     0.000069000         1850.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000277500
brucite              MG(1)O(2)H(2)    br            1nh
 ST              0.0    -924920.000        64.5000         2.4630
 C3        158.40000     -0.0040760     -1052300.0      -1171.300           0.00
 VHP     0.000130000          485.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000072750
diaspore             AL(1)O(2)H(1)    dsp           1nh
 ST              0.0    -999470.000        35.0000         1.7760
 C3        145.10000      0.0087090       584400.0      -1741.100           0.00
 VHP     0.000079700         2300.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000345000
goethite             FE(1)O(2)H(1)    gth           1nh
 ST              0.0    -561650.000        60.4000         2.0820
 C3        139.30000      0.0001470      -212700.0      -1077.800           0.00
 VHP     0.000079700         2300.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000345000
calcite              CA(1)O(3)C(1)    cc            1nh
 ST              0.0   -1207470.000        92.5000         3.6890
 C3        140.90000      0.0050290      -950700.0       -858.400           0.00
 VHP     0.000044000          760.0      1240.0000          10.00        0.04000
 VH2         10.0000         4.0000   -0.000114000
aragonite            CA(1)O(3)C(1)    arag          1nh
 ST              0.0   -1207580.000        89.5000         3.4150
 C3        192.30000     -0.0030520      1149700.0      -2118.300           0.00
 VHP     0.000115000          650.0      1240.0000           9.00        0.04000
 VH2         10.0000         4.0000   -0.000097500
magnesite            MG(1)O(3)C(1)    mag           1nh
 ST              0.0   -1111360.000        65.1000         2.8030
 C3        186.40000     -0.0037720            0.0      -1886.200           0.00
 VHP     0.000064800         1460.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000219000
siderite             FE(1)O(3)C(1)    sid           1nh
 ST              0.0    -761440.000        95.0000         2.9380
 C3        168.40000      0.0000000            0.0      -1483.600           0.00
 VHP     0.000110000         1200.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000180000
rhodochrosite        MN(1)O(3)C(1)    rhc           1nh
 ST              0.0    -891090.000        98.0000         3.1070
 C3        169.50000      0.0000000            0.0      -1534.300           0.00
 VHP     0.000065000          800.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000120000
!dolomite             MG(1)CA(1)O(6)C(2)    dol           1nh
! ST              0.0   -2324430.000       156.0000         6.4340
! C3        358.90000     -0.0049050            0.0      -3456.200           0.00
! VHP     0.000063500          900.0      1373.0000          13.00        0.01500
! VH2         10.0000         4.0000   -0.000135000
ankerite             FE(1)CA(1)O(6)C(2)    ank           1nh
 ST              0.0   -1971270.000       187.0000         6.6060
 C3        341.00000     -0.0011610            0.0      -3054.800           0.00
 VHP     0.000063500          900.0      1273.0000           9.00        0.01000
 VH2         10.0000         4.0000   -0.000135000
sylvite              K(1)CL(1)    syv           1nh
 ST              0.0    -436500.000        82.6000         3.7520
 C3         46.20000      0.0179700            0.0          0.000           0.00
 VHP     0.000247000          170.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000025500
halite               NA(1)CL(1)    hlt           1nh
 ST              0.0    -411300.000        72.1000         2.7020
 C3         45.20000      0.0179700            0.0          0.000           0.00
 VHP     0.000269000          240.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000036000
!iron                 FE(1)    iron          1nh
! ST              0.0          0.000        27.3200         0.7092
! C3         46.20000      0.0051580       723100.0       -556.200           0.00
! VHP     0.000074600         1680.0      1042.0000           8.30        0.00000
! VH2         10.0000         4.0000   -0.000252000
nickel               NI(1)    Ni            1nh
 ST              0.0          0.000        29.8700         0.6588
 C3         49.80000      0.0000000       585900.0       -533.900           0.00
 VHP     0.000088600         1870.0       631.0000           3.00        0.00000
 VH2         10.0000         4.0000   -0.000280500
graphite             C(1)    gph           1nh
 ST              0.0          0.000         5.8500         0.5298
 C3         51.00000     -0.0044280       488600.0       -805.500           0.00
 VHP     0.000048400          390.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000058500
diamond              C(1)    diam          1nh
 ST              0.0       2070.000         2.3000         0.3417
 C3         24.30000      0.0062720      -377400.0       -273.400           0.00
 VHP     0.000016500         5800.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000870000
!
***** GAS DATA *****
water.fluid          O(1)H(2)    H2O           1nh
 SPC   HHP98
 ST              0.0    -241810.000       188.8000         0.0000
 C3         40.10000      0.0086560       487500.0       -251.200           0.00
 VHP     0.000000000            0.0         0.0000           0.00        0.00000
 VH2          0.0000         0.0000    0.000000000
carbon.dioxide       O(2)C(1)    CO2           1nh
 SPC   CHP98
 ST              0.0    -393510.000       213.7000         0.0000
 C3         87.80000     -0.0026440       706400.0       -998.900           0.00
 VHP     0.000000000            0.0         0.0000           0.00        0.00000
 VH2          0.0000         0.0000    0.000000000
!carbon.monoxide      O(1)C(1)    CO            1nh
! ST              0.0    -110530.000       197.6700         0.0000
! C3         45.70000     -0.0000970       662700.0       -414.700           0.00
! VHP     0.000000000            0.0         0.0000           0.00        0.00000
! VH2          0.0000         0.0000    0.000000000
!methane              H(4)C(1)    CH4           1nh
! ST              0.0     -74810.000       186.2600         0.0000
! C3        150.10000      0.0020620      3427700.0      -2650.400           0.00
! VHP     0.000000000            0.0         0.0000           0.00        0.00000
! VH2          0.0000         0.0000    0.000000000
oxygen               O(2)    O2            1nh
 ST              0.0          0.000       205.2000         0.0000
 C3         48.30000     -0.0006910       499200.0       -420.700           0.00
 VHP     0.000000000            0.0         0.0000           0.00        0.00000
 VH2          0.0000         0.0000    0.000000000
!hydrogen             H(2)    H2            1nh
! ST              0.0          0.000       130.7000         0.0000
! C3         23.30000      0.0046270            0.0         76.300           0.00
! VHP     0.000000000            0.0         0.0000           0.00        0.00000
! VH2          0.0000         0.0000    0.000000000
sylvite.liq          K(1)CL(1)    syvL          1nh
 ST              0.0    -416490.000        95.3000         3.8570
 C3         66.90000      0.0000000            0.0          0.000           0.00
 VHP     0.000500000           59.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000008850
halite.liq           NA(1)CL(1)    hltL          1nh
 ST              0.0    -393420.000        79.7000         2.9650
 C3         72.00000     -0.0032230            0.0          0.000           0.00
 VHP     0.000500000           66.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000009900
forsterite.liq       SI(1)MG(2)O(4)    foL           2nh
 ST              0.0   -2225160.000       -55.0000         4.2430
 C3        267.90000      0.0000000            0.0          0.000           0.00
 VHP     0.000145000          730.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000109500
fayalite.liq         SI(1)FE(2)O(4)    faL           2nh
 ST              0.0   -1459210.000       102.5000         4.6950
 C3        239.70000      0.0000000            0.0          0.000           0.00
 VHP     0.000169000          410.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000061500
sillimanite.liq      SI(1)AL(2)O(5)    silL          1nh
 ST              0.0   -2583100.000        39.0000         6.4190
 C3        237.60000      0.0000000            0.0          0.000           0.00
 VHP     0.000010000          300.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000045000
anorthite.liq        SI(2)AL(2)CA(1)O(8)    anL           1nh
 ST              0.0   -4257750.000        52.0000        10.2060
 C3        417.50000      0.0000000            0.0          0.000           0.00
 VHP     0.000049000          200.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000030000
!H2O.liq              O(1)H(2)    h2oL          1nh
! ST              0.0    -295710.000        45.5000         1.4140
! C3         80.00000      0.0000000            0.0          0.000           0.00
! VHP     0.001079000           40.0         0.0000           0.00        0.00000
! VH2         10.0000         4.0000   -0.000006000
enstatite.liq        SI(2)MG(2)O(6)    enL           1nh
 ST              0.0   -3091760.000        -2.0000         6.9000
 C3        354.90000      0.0000000            0.0          0.000           0.00
 VHP     0.000129000          260.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000039000
K-feldspar.liq       SI(3)AL(1)K(1)O(8)    kspL          1nh
 ST              0.0   -3992670.000       129.5000        11.4680
 C3        367.30000      0.0000000            0.0          0.000           0.00
 VHP     0.000060000          260.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000039000
Silica.liq           SI(1)O(2)    qL            1nh
 ST              0.0    -920850.000        16.5000         2.6400
 C3         82.50000      0.0000000            0.0          0.000           0.00
 VHP    -0.000005000          470.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000070500
diopside.liq         SI(2)MG(1)CA(1)O(6)    diL           1nh
 ST              0.0   -3208180.000        23.8000         7.3400
 C3        345.30000      0.0000000            0.0          0.000           0.00
 VHP     0.000129000          300.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000045000
albite.liq           SI(3)AL(1)NA(1)O(8)    abL           1nh
 ST              0.0   -3934370.000       145.0000        10.7100
 C3        358.50000      0.0000000            0.0          0.000           0.00
 VHP     0.000045000          390.0         0.0000           0.00        0.00000
 VH2         10.0000         4.0000   -0.000058500
!hydrogen.aq          H(1)E(-1)    H+            1nh
! ST              0.0          0.000         0.0000         0.0000
! C3          0.00000      0.0000000            0.0          0.000           0.00
! VHP     0.000000000            0.0         0.0000           0.00        0.00000
! VH2          0.0000         0.0000    0.000000000
!
!
***** GAS DATA *****
!water0.5      H(2)O(1)      h2o5      nh
!  ST           0.000     000000.000     000.000000       0.000000
!  CP1       0.000000        0.00000           0.00            0.0
!  COM       water.fluid[1]      0.5
HHM-BUFFER      H(2)      HHM      *HHM
  ST           0.000     000000.000     000.000000       0.000000
  CP1       0.000000        0.00000           0.00            0.0
  COM      magnetite[2] water.fluid[1] hematite[-3]
-HHM-BUFFER      H(-2)      -HHM      *HHM
  ST           0.000     000000.000     000.000000       0.000000
  CP1       0.000000        0.00000           0.00            0.0
  COM      HHM-BUFFER[-1]
!
OHM-BUFFER      O(2)      OHM      *OHM
  ST           0.000     000000.000     000.000000       0.000000
  CP1       0.000000        0.00000           0.00            0.0
  COM      hematite[6]magnetite[-4]     0    hematite
-OHM-BUFFER      O(-2)      -OHM      *OHM
  ST           0.000     000000.000     000.000000       0.000000
  CP1       0.000000        0.00000           0.00            0.0
  COM      OHM-BUFFER[-1] 
!
QFM-BUFFER      O(2)      qfm      *qfm
  ST           0.000     000000.000     000.000000       0.000000
  CP1       0.000000        0.00000           0.00            0.0
  COM      fayalite[-3] magnetite[2] quartz[3]   0   magnetite
-QFM-BUFFER      O(-2)      -qfm      *qfm
  ST           0.000     000000.000     000.000000       0.000000
  CP1       0.000000        0.00000           0.00            0.0
  COM      QFM-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      oxygen[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]
!
!
*****  SOLUTION DATA  *****
OLIVINEi      (IDEAL)2   M(2):Mg,Fe
  fayalite     Fe,Fe
  forsterite   Mg,Mg
!
!=================================================================================
! Calcite - mgnesite - dolomite
! -----------------------------
! Tim Holland and Roger Powell(2003): Activitycomposition relations for phases in 
! petrological calculations: an asymmetric multicomponent formulation.
! Contrib Mineral Petrol (2003) 145: 492501
!
**** MINERAL DATA ***** HollandPowell 2003 example
calcite2             CA(2)O(6)C(2)    cc2           1nh
 ST              0.0         00.000         0.0000         0.0000
 COM   calcite [2]     0    calcite
magnesite2             MG(2)O(6)C(2)    mgs2           1nh
 ST              0.0         00.000         0.0000         0.0000
 COM   magnesite[2]    0    magnesite
dolomite2             MG(1)CA(1)O(6)C(2)    dol2           1nh
 ST              0.0     -13500.000         0.0000         0.0000
 COM   calcite2[0.5]magnesite2[0.5]
!
***** SOLUTION DATA *****
CCDO    (MARGULES,SITE)  M1(1):Ca,Mg - M2(1):Ca,Mg
   calcite2      Ca - Ca      0.5     0.000546    0
   magnesite2    Mg - Mg      1.0     0           0
   dolomite2     Ca - Mg      0.7     0           0
!
*****  MARGULES PARAMETER  *****
calcite2 - magnesite2
12     70000    0.00    0.0
calcite2 - dolomite2
12     20500    0.00    0.0
magnesite2 - dolomite2
12     29900    0.00    0.0
!
!=================================================================================
!=================================================================================
! feldspar: anorthite - albite Newton et al. 1980, as in perplex
! ----------------------------
! Newton RC, Charlu TV, Kleppa OJ (1980) Thermochemistry of the high structural state
! plagioclases. Geochemica Cosmochimica Acta 44:933-941
!
*****  SuLUTION DATA  *****
ANAB    (SITE,MARGULES)  O(1):Na,Ca - T(2):Si,Al
   high-albite   Na - Si,Al
   anorthite     Ca - Al,Al
*****  MuRGULES PARAMETER  *****
high-albite - anorthite
122     28230.0   0   0
112      8473.0   0   0
!
!=================================================================================
!=================================================================================
! feldspar tc 32
!---------
****MuNERAL DATA*****    Feldspar
anorthiteC1            CA(1)AL(2)SI(2)O(8)    anc1           nh
 ST              0.0       6010.000         3.5000         0.0000
 COM   anorthite[1]     0    anorthite
!
*****  SuLUTION DATA  *****
FSP    (MARGULES,IDEAL)  A(1):K,Na,Ca
   sanidine            K
   high-albite         Na
   anorthiteC1         Ca
!
*****  MuRGULES PARAMETER  ***** as in tc 32
sanidine - high-albite
12     15300.    0.00    0.225
sanidine - anorthiteC1
12     45000.    0.00    0.00
!
!=================================================================================
!=================================================================================
! feldspar tc 325
!---------
! "ternary" feldspar from the supplementary material (file nckfmash) in:
! Baldwin J.A. et al. (2005): Modelling of mineral equilibria in ultrahigh-
! temperature metamorphic rocks from the AnapolisItaucu Complex, central Brazil
! J. metamorphic Geol., 2005, 23, 511531
! Based on: Holland, TJB & Powell, R (2003) Activity-composition relations for 
! phases in petrological calculations: an asymmetric multicomponent formulation.
! Contributions to Mineralogy and Petrology, 145, 492-501.
!
****MINERAL DATA*****    Feldspar new definition in: baldwin et al. 2005
anorthiteC1            CA(1)AL(2)SI(2)O(8)    anc1           nh
 ST              0.0       7030.000         4.6600         0.0000
 COM   anorthite[1]     0    anorthite
!
*****  SOLUTION DATA  *****
FSP    (MARGULES,IDEAL)  M(1):Na,K,Ca
   sanidine       K      1.0     0    0
   high-albite    Na     0.643   0    0
   anorthiteC1    Ca     1.0     0    0
!
*****  MARGULES PARAMETER  ***** as in tc 3.25
high-albite - anorthiteC1
12      3100.    0.00      0.00
sanidine - high-albite
12     25100.   10.80      0.338
sanidine - anorthiteC1
12     40000.    0.00      0.00
!
!=================================================================================
!=================================================================================
! ilmenite ideal
! --------------
!
*****  SuLUTION DATA  *****   ilmenit ideal
ILM     (IDEAL)
  ilmenite
  geikielite
  pyrophanite
!
!=================================================================================
!=================================================================================
! ilmenite tc330
! --------
! White, RW, Powell, R & Holland, TJB (2007) Progress relating to calculation
! of partial melting equilibria for metapelites. Journal of Metamorphic Geology,
! 25, 511-527. (from tx-NCKFMASHTO.txt in tc330 download.)
! untested
!
****MINERAL DATA*****    ilmenite
!Oilmenite             TI(1)FE(1)O(3)    oilm           1nh
! ST              0.0     -13607.500        -9.4260         0.0000
! COM   ilmenite[1]     0    ilmenite
Dilmenite             TI(1)FE(1)O(3)    dilm           1nh
! ST              0.0       1992.800         2.1000         0.0000
! COM   ilmenite[1]     0    ilmenite
*****  SOLUTION DATA  *****   ilmenite
ILM    (-SITE,MARGULES)1/2     A(2):Fe,Ti,F3 - B(2):Ti,Fe,F3
  Oilmenite    Fe,Fe - Ti,Ti
  Dilmenite    Fe,Ti - Fe,Ti
!  hematite     F3,F3 - F3,F3
!
*****  MARGULES PARAMETER  *****
Oilmenite - Dilmenite
12      15600      0.0      0.0
Oilmenite - hematite
12      26600      0.0      0.0
Dilmenite - hematite
12      11000      0.0      0.0
!
!=================================================================================
!=================================================================================
! epidote tc325
! -------
! Holland, TJB & Powell, R (1998) An internally consistent thermodynamic dataset
! for phases of petrological interest. Journal of Metamorphic Geology, 16, 309-343.
! (from tc-NCFMASHTO.txt)
!
*****  SuLUTION DATA  *****   chlr, as in perplex
EPI     (SITE,MARGULES)    M1(1):F3,Al - M3(1):F3,Al
   clinozoisite     Al - Al
   epidote          Al - F3
   Fe-epidote       F3 - F3
!
*****  MuRGULES PARAMETER  *****   chlr
clinozoisite - Fe-epidote
12     15400.0   0.0   0.0
epidote - Fe-epidote
12      3000.0   0.0   0.0
!
!=================================================================================
!=================================================================================
! garnet tc325
! ------
!
*****  SOLUTION DATA  *****   garnet
GARNET    (MARGULES,SITE,EXCL)   M(3):Ca,Mg,Fe,Mn
   grossular      Ca,Ca,Ca - Al,Al
   pyrope         Mg,Mg,Mg - Al,Al
   almandine      Fe,Fe,Fe - Al,Al
   spessartine    Mn,Mn,Mn - Al,Al
!
*****  MARGULES PARAMETER  *****
pyrope - grossular
12     33000.    0.00    0.00
pyrope - almandine
12     2500.    0.00    0.00
pyrope - spessartine
12     4500.    0.00    0.00
almandine - spessartine
12      240.    0.00    0.00
!
!=================================================================================
!=================================================================================
! garnet tc330
! ------
! White, RW, Powell, R & Holland, TJB (2007) Progress relating to calculation
! of partial melting equilibria for metapelites. Journal of Metamorphic Geology,
! 25, 511-527. (from tx-NCKFMASHTO.txt in tc330 download.)
!... this model is somewhat less asymmetric than used in the calculations 
!... of the above paper, but this is our currently preferred model
! not tested!!
!
*****  SuLUTION DATA  *****   garnet
GARNET    (MARGULES,SITE)   M(3):Ca,Mg,Fe - Y(2):Al,F3
   almandine      Fe,Fe,Fe - Al,Al    1   0   0
   pyrope         Mg,Mg,Mg - Al,Al    1   0   0
   grossular      Ca,Ca,Ca - Al,Al    3   0   0
   andradite      Ca,Ca,Ca - F3,F3    3   0   0
!
*****  MuRGULES PARAMETER  *****
almandine - pyrope
12      2500.    0.00    0.00
almandine - grossular
12     10000.    0.00    0.00
almandine - andradite
12     75000.    0.00    0.00
!
pyrope - grossular
12     45000.    0.00    0.00
pyrope - andradite
12     90000.    0.00    0.00
!
!=================================================================================
!=================================================================================
! omphacite: Holland and Powell (1996)
! ---------
! Holland and Powell (1996) Thermodynamics of order-disorder in minerals:
! II. Symmetric formalism applied to solid solutions. American
! Mineralogist, 81, 1425-1437.
! from axcode_omp.doc. The following note in this file is disturbing:
!  % XNa terms not explicitly required, as they are identical to the XAl terms
! Note that the activity terms have to be explicitly calculated over both
! split sites, the only simplification being that the Na and Al site
! fractions are identical.
! not tested!!!
!
!=================================================================
****MINERAL DATA*****
omphacite         SI(2)MG(0.5)AL(0.5)CA(0.5)NA(0.5)O(6)     om     nh
 ST              0.0      -3500.000         0.0000         0.0000
 COM    jadeite[0.5]diopside[0.5]
!
*****  SOLUTION DATA  *****
OMPH        (-SITE,MARGULES)1/2   M1a(2):Ca,Mg,Fe,Al - M1b(2):Ca,Mg,Fe,Al
   diopside       Ca,Mg - Ca,Mg
   jadeite        Al,Al - Al,Al
   hedenbergite   Ca,Fe - Ca,Fe
   omphacite      Al,Al - Ca,Mg
*****  MARGULES PARAMETER  *****
diopside - jadeite
12    26000.0    0.00  0.00
omphacite - jadeite
12    16000.0    0.00  0.00
omphacite - diopside
12    16000.0    0.00  0.00
omphacite - hedenbergite
12    17000.0    0.00  0.00
hedenbergite - jadeite
12    24000.0    0.00  0.00
diopside - hedenbergite
12     4000.0    0.00  0.00
!
!=================================================================================
! omphacite: Green et al. (2007)
! ---------
! Green, ECR, Holland, TJB & Powell, R (2007) An order-disorder model for
! omphacitic pyroxenes in the system jadeite-diopside-hedenbergite-acmite,
! with applications to eclogite rocks. American Mineralogist, 92, 1181-1189.
! not tested!!!
!
!=================================================================
****MuNERAL DATA*****
omphacite         SI(2)MG(0.5)AL(0.5)CA(0.5)NA(0.5)O(6)     om     nh
 ST              0.0      -2900.000         0.0000         0.0000
 COM    jadeite[0.5]diopside[0.5]
clinoFM         SI(2)MG(0.5)FE(0.5)CA(1)O(6)     cfm     nh
 ST              0.0      -1500.000         0.0000         0.0000
 COM    diopside[0.5]hedenbergite[0.5]
!jadacm         SI(2)AL(0.5)FE(0.5)NA(1)O(6)     jac     nh
! ST              0.0      -1000.000         0.0000         0.0000
! COM    jadeite[0.5]acmite[0.5]
!
*****  SuLUTION DATA  *****
OMPH        (-SITE,MARGULES)1/2   M1m(1):Mg,Fe,F3,Al - M1a(1):Mg,Fe,F3,Al - M2c(1):Na,Ca - M2n(1):Na,Ca
   jadeite        Al - Al - Na - Na
   diopside       Mg - Mg - Ca - Ca
   hedenbergite   Fe - Fe - Ca - Ca
   acmite         F3 - F3 - Na - Na
   omphacite      Mg - Al - Ca - Na
   clinoFM        Fe - Mg - Ca - Ca
!   jadacm         Al - F3 - Na - Na
*****  MuRGULES PARAMETER  *****
jadeite - diopside
12    26000.0    0.00  0.00
jadeite - hedenbergite
12    24000.0    0.00  0.00
jadeite - acmite
12     5000.0    0.00  0.00
jadeite - omphacite
12    15500.0    0.00  0.00
jadeite - clinoFM
12    25200.0    0.00  0.00
jadeite - jadacm
12     3000.0    0.00  0.00
!
diopside - hedenbergite
12     4000.0    0.00  0.00
diopside - acmite
12    15000.0    0.00  0.00
diopside - omphacite
12    15750.0    0.00  0.00
diopside - clinoFM
12     2000.0    0.00  0.00
diopside - jadacm
12    21050.0    0.00  0.00
!
hedenbergite - acmite
12    14000.0    0.00  0.00
hedenbergite - omphacite
12    17200.0    0.00  0.00
hedenbergite - clinoFM
12     2000.0    0.00  0.00
hedenbergite - jadacm
12    20100.0    0.00  0.00
!
acmite - omphacite
12    12800.0    0.00  0.00
acmite - clinoFM
12    15500.0    0.00  0.00
acmite - jadacm
12     3000.0    0.00  0.00
!
omphacite - clinoFM
12    18450.0    0.00  0.00
omphacite - jadacm
12    19300.0    0.00  0.00
!
clinoFM - jadacm
12    21050.0    0.00  0.00
!
!=================================================================================
!=================================================================================
! orthopyroxene: tc325
! --------------
! Powell, R., and Holland, T.J.B., 1999. Relating formulations of the thermodynamics of
! mineral solid solutions: activity modelling of pyroxenes, amphiboles and micas.
! American Mineralogist, 84, 1-14.
! also: baldwin et al. 2005
!
****MuNERAL DATA*****
FM.pyx               FE(1)MG(1)SI(2)O(6)    fm           nxh
 ST              0.0      -6950.000         0.0000         0.0000
 COM   enstatite[0.5]ferrosilite[0.5]
!
*****  SuLUTION DATA  *****
OPX     (-SITE,MARGULES)    M2(1):Mg,Fe - M1(1):Mg,Fe,Al
   enstatite         Mg - Mg
   ferrosilite       Fe - Fe
   FM.pyx            Fe - Mg
   Mg-Tscher.pyx     Mg - Al
!
*****  MuRGULES PARAMETER  *****
enstatite - ferrosilite
12      6800.0   0.0   0.0
enstatite - FM.pyx
12      4500.0   0.0   0.0
ferrosilite - FM.pyx
12      4500.0   0.0   0.0
ferrosilite - Mg-Tscher.pyx
12     -1000.0   0.0   0.0
FM.pyx - Mg-Tscher.pyx
12      1200.0   0.0   0.0
!
!=================================================================================
!=================================================================================
! orthopyroxene: FMASO tc330
! --------------
! 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.
! White, RW, Powell, R & Holland, TJB (2007) Progress relating to calculation
! of partial melting equilibria for metapelites. Journal of Metamorphic Geology,
! 25, 511-527. (from tx-NCKFMASHTO.txt in tc330 download.)
! not tested!
!
****MINERAL DATA*****   opx , (also in: baldwin et al. 2005)
FM.pyx               FE(1)MG(1)SI(2)O(6)    fm           nxh
 ST              0.0      -6950.000         0.0000         0.0000
 COM   enstatite[0.5]ferrosilite[0.5]
!
mots               FE(1)MG(1)AL(1)SI(1)O(6)    mots           nxh
 ST              0.0      22000.000         0.0000         0.0000
 COM   Mg-Tscher.pyx[1]corundum[-0.5]hematite[0.5]
!
*****  SOLUTION DATA  *****   opx
OPX     (-SITE,MARGULES)    M1(1):Mg,Fe,Al,F3 - M2(1):Mg,Fe
   enstatite         Mg - Mg
   ferrosilite       Fe - Fe
   Mg-Tscher.pyx     Al - Mg
   FM.pyx            Mg - Fe
   mots              F3 - Mg
!
*****  MARGULES PARAMETER  *****
enstatite - ferrosilite
12      6800.0   0.0   0.0
enstatite - FM.pyx
12      4500.0   0.0   0.0
enstatite - mots
12    -14000.0   0.0   0.0
!
ferrosilite - Mg-Tscher.pyx
12     -1000.0   0.0   0.0
ferrosilite - FM.pyx
12      4500.0   0.0   0.0
ferrosilite - mots
12      6000.0   0.0   0.0
!
Mg-Tscher.pyx - FM.pyx
12      1200.0   0.0   0.0
!
FM.pyx - mots
12      6000.0   0.0   0.0
!
!=================================================================================
!=================================================================================
! chloritoide: MnFMASHO
! -----------
! 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.
! Mahar, E.M., Baker, J.M., Powell, R. Holland, T.J.B. & Howell, N., 1997. 
! The effect of Mn on mineral stability in metapelites. 
! Journal of Metamorphic Geology, 15, 223-238.
!
****MuNERAL DATA*****
F3-chloritoid               SI(1)FE(2)MG(1)O(7)H(2)    ctdo           nxh
 ST              0.0      53000.000         0.0000         0.0000
 COM   Mg-chloritoid[0.5]corundum[-1]hematite[1]
!
*****  SOLUTION DATA  *****   chtd
CHTD      (IDEAL,MARGULES)     M(1):Mn,Mg,Fe - Y(2):Al,F3
   Mg-chloritoid     Mg - Al,Al
   Fe-chloritoid     Fe - Al,Al
   Mn-chloritoid     Mn - Al,Al
!   F3-chloritoid     Mg - F3,F3
*****  MARGULES PARAMETER  *****
Mg-chloritoid - Fe-chloritoid
12     1000.    0.00   0.00
!
!=================================================================================
!=================================================================================
! carpholite tc325?
! ----------
!
*****  SOLUTION DATA  ***** Kelsey
CRPH      (IDEAL,MARGULES)     M(1):Mg,Fe
   Mg-carpholite     Mg
   Fe-carpholite     Fe
!
!=================================================================================
!=================================================================================
! chlorite: MnFMASH
! --------
! Holland, TJB, Baker, JM & Powell, R (1998) Mixing properties and activity-
! composition relationships of chlorites in the system MgO-FeO-Al2O3-SiO2-H2O.
! European Journal of Mineralogy, 10, 395-406.
! simplification becuse of equipartitioning of Mg and Fe!!!
! If coded in fsol: Gibbs-Duhem fail.
!
*****  SOLUTION DATA  *****   chlr, as in perplex
CHLR     (-SITE,MARGULES)    M23(4):Mg,Fe,Mn - M1(1):Mg,Fe,Al,Mn - M4(1):Mg,Al,Fe,Mn - T1(2):Si,Al
   Al-free-chlorite   Mg,Mg,Mg,Mg - Mg - Mg - Si,Si
   clinochlore        Mg,Mg,Mg,Mg - Mg - Al - Al,Si
   daphnite           Fe,Fe,Fe,Fe - Fe - Al - Al,Si
   amesite            Mg,Mg,Mg,Mg - Al - Al - Al,Al
   Mn-chlorite        Mn,Mn,Mn,Mn - Mn - Al - Al,Si
!
*****  MARGULES PARAMETER  *****
Al-free-chlorite - clinochlore
12     18000.0   0.0   0.0
Al-free-chlorite - daphnite
12     14500.0   0.0   0.0
Al-free-chlorite - amesite
12     20000.0   0.0   0.0
clinochlore - daphnite
12      2500.0   0.0   0.0
clinochlore - amesite
12     18000.0   0.0   0.0
daphnite - amesite
12     13500.0   0.0   0.0
!
!=================================================================================
!=================================================================================
! white mica tc32
! ----------
!
****MINERAL DATA*****  phng
paragonite2          NA(1)AL(3)SI(3)O(12)H(2)    pa2           nhm
 ST              0.0       1420.000         0.0000         0.4000
COM    paragonite[1]
!
*****  SOLUTION DATA  *****  phng
PHNG    (-SITE,MARGULES)   A(1):K,Na - M2A(1):Al,Mg,Fe - T1(2):Al,Si
   muscovite         K - Al - Al,Si      0.63   0.0   0.0
   celadonite        K - Mg - Si,Si      0.63   0.0   0.0
   Fe-celadonite     K - Fe - Si,Si      0.63   0.0   0.0
   paragonite2       Na - Al - Al,Si     0.37   0.0   0.0
!
*****  MARGULES PARAMETER  *****  phng, needs paragonite2
muscovite - paragonite2
12     12000.    0.00    0.40
paragonite2 - celadonite
12     14000.    0.00    0.20
paragonite2 - Fe-celadonite
12     14000.    0.00    0.20
!
!=================================================================================
!=================================================================================
! white mica tc325 (achtung: Old Margules)
! ----------
! R. COGGON AND T. J . B. HOLLAND(2002): Mixing properties of phengitic micas and 
! revised garnet-phengite thermobarometers.
! J. metamorphic Geol., 2002, 20, 683696
!
*****  SuLUTION DATA  *****  phng
PHNG    (-SITE,MARGULES)   A(1):K,Na - M2A(1):Al,Mg,Fe - T1(2):Al,Si
   muscovite        K - Al - Al,Si      0.63   0.0   0.0
   celadonite       K - Mg - Si,Si      0.63   0.0   0.0
   Fe-celadonite    K - Fe - Si,Si      0.63   0.0   0.0
   paragonite       Na - Al - Al,Si     0.37   0.0   0.0
!
*****  MuRGULES PARAMETER  *****  as in TC 3.25 Coggon&Holland, 2002
muscovite - paragonite
12     10120.    -3.40    0.353
paragonite - celadonite
12     52000.     0.00    0.20
paragonite - Fe-celadonite
12     52000.     0.00    0.20
!
!=================================================================================
!=================================================================================
! white mica tc325
! ----------
! R. COGGON AND T. J . B. HOLLAND(2002): Mixing properties of phengitic micas and 
! revised garnet-phengite thermobarometers. J. metamorphic Geol., 2002, 20, 683696
!
*****  SuLUTION DATA  *****
PHNG    (-SITE,MARGULES)   A(1):K,Na - M2A(1):Al,Mg,Fe - T1(2):Al,Si
   muscovite        K - Al - Al,Si      0.63   0.0   0.0
   celadonite       K - Mg - Si,Si      0.63   0.0   0.0
   Fe-celadonite    K - Fe - Si,Si      0.63   0.0   0.0
   paragonite       Na - Al - Al,Si     0.37   0.0   0.0
!
*****  MuRGULES PARAMETER  *****
muscovite - paragonite
12     10120.    -3.40    0.353
muscovite - celadonite
12         0.     0.00    0.200
muscovite - Fe-celadonite
12         0.     0.00    0.200
paragonite - celadonite
12     52000.     0.00    0.000
paragonite - Fe-celadonite
12     52000.     0.00    0.000
!
!=================================================================================
!=================================================================================
! biotite old tc32
! -------
****MINERAL DATA*****  biotite as in perplex
obiotite          K(1)MG(2)FE(1)AL(1)SI(3)O(12)H(2)    obi          xnh
 ST              0.0     -10730.000         0.0000         0.0000
COM    phlogopite[2/3]annite[1/3]
!sideroph        SI(2)AL(3)FE(2)K(1)O(12)H(2)    sdph          xnh
! ST              0.0          0.000         0.0000         0.0000
!COM    eastonite[1]annite[1]obiotite[-1]
!Mn-TsBi        SI(2)AL(3)MN(2)K(1)O(12)H(2)    mnts          xnh
! ST              0.0          0.000         0.0000         0.0000
!COM    eastonite[1]Mn-biotite[2/3]phlogopite[-2/3]
!
***** SOLUTION DATA  *****
BIO     (-SITE,MARGULES)    M2(2):Mg,Fe,Mn - M1(1):Mg,Fe,Al,Mn - T1(2):Si,Al
   phlogopite     Mg,Mg - Mg - Al,Si
   annite         Fe,Fe - Fe - Al,Si
   eastonite      Mg,Mg - Al - Al,Al
   obiotite       Mg,Mg - Fe - Al,Si
   Mn-biotite     Mn,Mn - Mn - Al,Si
!
*****  MARGULES PARAMETER  *****
phlogopite - annite
12      9000.0   0.0   0.0
phlogopite - eastonite
12     10000.0   0.0   0.0
phlogopite - obiotite
12      3000.0   0.0   0.0
annite - eastonite
12     -1000.0   0.0   0.0
annite - obiotite
12      6000.0   0.0   0.0
eastonite - obiotite
12     10000.0   0.0   0.0
!
!=================================================================================
!=================================================================================
! biotite tc330
! -------
! White, RW, Powell, R & Holland, TJB (2007) Progress relating to calculation
! of partial melting equilibria for metapelites. Journal of Metamorphic Geology,
! 25, 511-527. (from tx-NCKFMASHTO.txt in tc330 download.)
! not tested!
!
****MuNERAL DATA*****  biotite
annite2               SI(3)AL(1)FE(3)K(1)O(12)H(2)    ann2           3nh
 ST              0.0      -3000.000         0.0000         0.0000
COM    annite[1]   0   annite
obiotite          K(1)MG(2)FE(1)AL(1)SI(3)O(12)H(2)    obi          xnh
 ST              0.0     -10730.000         0.0000         0.0000
COM    phlogopite[2/3]annite2[1/3]
tbiotite          K(1)MG(2)TI(1)AL(1)SI(3)O(12)    tbi          xnh
 ST              0.0      78000.000         0.0000         0.0000
COM    phlogopite[1]brucite[-1]rutile[1]
fbiotite          K(1)MG(2)FE(1)AL(2)SI(2)O(12)H(2)    fbi          xnh
 ST              0.0      13000.000         0.0000         0.0000
COM    eastonite[1]corundum[-0.5]hematite[0.5]
!
*****  SuLUTION DATA  *****
BIO     (-SITE,MARGULES)   M1(1):Mg,Fe,Al,F3,Ti - M2(2):v,Mg,Fe,Mn -  T1(2):Si,Al - V(2):OH,O
   phlogopite     Mg - Mg,Mg - Al,Si - OH,OH
   annite2        Fe - Fe,Fe - Al,Si - OH,OH
   obiotite       Fe - Mg,Mg - Al,Si - OH,OH
   eastonite      Al - Mg,Mg - Al,Al - OH,OH
   tbiotite       Ti - Mg,Mg - Al,Si - O,O
!   fbiotite       F3 - Mg,Mg - Al,Al - OH,OH
!
*****  MuRGULES PARAMETER  *****
phlogopite - annite2
12      9000.0   0.0   0.0
phlogopite - obiotite
12      3000.0   0.0   0.0
phlogopite - eastonite
12     10000.0   0.0   0.0
!
annite2 - obiotite
12      6000.0   0.0   0.0
annite2 - eastonite
12     -1000.0   0.0   0.0
annite2 - tbiotite
12     10000.0   0.0   0.0
annite2 - fbiotite
12      8000.0   0.0   0.0
!
obiotite - eastonite
12     10000.0   0.0   0.0
!
!=================================================================================
!=================================================================================
! talc (reciprocal) tc325
! ----
! Holland, T.J.B., & Powell, R., 1998. An internally consistent thermodynamic dataset
! for phases of petrological interest. Journal of Metamorphic Geology, 16, 309-343.
!
*****  SOLUTION DATA  *****
TALC     (-SITE)     M1(2):Mg,Fe - M3(1):Mg,Fe,Al - T1(2):Si,Al
     Mg-talc                Mg,Mg - Mg - Si,Si
     Fe-talc             Fe,Fe - Fe - Si,Si
     tschermak-talc      Mg,Mg - Al - Al,Si
!
!=================================================================================
!=================================================================================
! staurolite tc325?
! ----------
! Holland, T.J.B., & Powell, R., 1998. An internally consistent thermodynamic dataset
! for phases of petrological interest. Journal of Metamorphic Geology, 16, 309-343.
! Mahar, E.M., Baker, J.M., Powell, R. Holland, T.J.B. & Howell, N., 1997. 
! The effect of Mn on mineral stability in metapelites. 
! Journal of Metamorphic Geology, 15, 223-238.
!
*****  SOLUTION DATA  *****
STAU     (IDEAL,MARGULES)4     M(4):Fe,Mg,Mn
   Mg-staurolite        Mg,Mg,Mg,Mg
   Fe-staurolite        Fe,Fe,Fe,Fe
   Mn-staurolite        Mn,Mn,Mn,Mn
!
*****  MARGULES PARAMETER  *****
Mg-staurolite - Fe-staurolite
12     -8000.0   0.0   0.0
!
!=================================================================================
!=================================================================================
! amphiboles diener
! ----------
!Amphiboles not tested.
!
****MINERAL DATA*****
! ------------------------------------------------------------------------------
tschermakite2         CA(2)MG(3)AL(4)SI(6)O(24)H(2)           ts2           code
 ST              0.0     10000.0            0.0000         0.0000
 COM   tschermakite[1]
! ------------------------------------------------------------------------------
pargasite2            NA(1)CA(2)MG(4)AL(3)SI(6)O(24)H(2)    parg2           code
 ST              0.0     15000.0            0.0000         0.0000
 COM   pargasite[1]
! ------------------------------------------------------------------------------
glaucophane2          NA(2)MG(3)AL(2)SI(8)O(24)H(2)           gl2           code
 ST              0.0      3000.0            0.0000         0.0000
 COM   glaucophane[1]
! ------------------------------------------------------------------------------
cummingtonite2        MG(7)SI(8)O(24)H(2)                   cumm2           code
 ST              0.0     -6400.0            0.0000         0.0000
 COM   cummingtonite[1]
! ------------------------------------------------------------------------------
grunerite2            FE(7)SI(8)O(24)H(2)                   grun2           code
 ST              0.0     -5000.0            0.0000         0.0000
 COM   grunerite[1]
! ------------------------------------------------------------------------------
acam                  MG(3)FE(4)SI(8)O(24)H(2)               acam           code
 ST              0.0    -15100.0            0.0000         0.0000
 COM   cummingtonite[3/7]grunerite[4/7]
! ------------------------------------------------------------------------------
bcam                  MG(2)FE(5)SI(8)O(24)H(2)               bcam           code
 ST              0.0    -17100.0            0.0000         0.0000
 COM   cummingtonite[2/7]grunerite[5/7]
! ------------------------------------------------------------------------------
mgriebekite           NA(2)FE(2)MG(3)SI(8)O(24)H(2)           mrb           code
 ST              0.0      8000.0            0.0000         0.0000
 COM   glaucophane[1]jadeite[-2]acmite[2]
! ------------------------------------------------------------------------------
*****  SOLUTION DATA  *****
ClAMP        (-EXT,MARGULES)  A(1):v,Na - M1(3):Mg,Fe - M2(2):Mg,Al,Fe,F3 - M4(2):Ca,Na,Mg,Fe - T(4):Si,Al
!                   A      M13      M2      M4         T1
  tremolite         v - Mg,Mg,Mg - Mg,Mg - Ca,Ca - Si,Si,Si,Si       1.0  0  0
  tschermakite2     v - Mg,Mg,Mg - Al,Al - Ca,Ca - Si,Si,Al,Al       1.5  0  0
  pargasite2       Na - Mg,Mg,Mg - Mg,Al - Ca,Ca - Si,Si,Al,Al       1.7  0  0
  glaucophane2      v - Mg,Mg,Mg - Al,Al - Na,Na - Si,Si,Si,Si       0.8  0  0
  cummingtonite2    v - Mg,Mg,Mg - Mg,Mg - Mg,Mg - Si,Si,Si,Si       1.0  0  0
  grunerite2        v - Fe,Fe,Fe - Fe,Fe - Fe,Fe - Si,Si,Si,Si       1.0  0  0
  acam              v - Mg,Mg,Mg - Fe,Fe - Fe,Fe - Si,Si,Si,Si       1.0  0  0
  bcam              v - Fe,Fe,Fe - Mg,Mg - Fe,Fe - Si,Si,Si,Si       1.0  0  0
!  mgriebekite       v - Mg,Mg,Mg - F3,F3 - Na,Na - Si,Si,Si,Si       0.8  0  0 
!
*****  MARGULES PARAMETER  *****
tremolite - tschermakite2
12          20000   0.0   0.0
tremolite - pargasite2
12          25000   0.0   0.0
tremolite - glaucophane2
12          65000   0.0   0.0 
tremolite - cummingtonite2
12          45000   0.0   0.0
tremolite - grunerite2
12          75000   0.0   0.0
tremolite - acam
12          57000   0.0   0.0
tremolite - bcam
12          63000   0.0   0.0
tremolite - mgriebekite
12          65000   0.0   0.0
!
tschermakite2 - pargasite2
12         -40000   0.0   0.0
tschermakite2 - glaucophane2
12          25000   0.0   0.0 
tschermakite2 - cummingtonite2
12          70000   0.0   0.0
tschermakite2 - grunerite2
12          80000   0.0   0.0
tschermakite2 - acam
12          70000   0.0   0.0
tschermakite2 - bcam
12          72500   0.0   0.0
tschermakite2 - mgriebekite
12          25000   0.0   0.0
!
pargasite2 - glaucophane2
12          50000   0.0   0.0 
pargasite2 - cummingtonite2
12          90000   0.0   0.0
pargasite2 - grunerite2
12         106700   0.0   0.0
pargasite2 - acam
12          94800   0.0   0.0
pargasite2 - bcam
12          94800   0.0   0.0
pargasite2 - mgriebekite
12          50000   0.0   0.0
!
glaucophane2 - cummingtonite2
12          100000  0.0   0.0
glaucophane2 - grunerite2
12          113500  0.0   0.0
glaucophane2 - acam
12          100000  0.0   0.0
glaucophane2 - bcam
12          111200  0.0   0.0
!glaucophane2 - mgriebekite
!12          0.0     0.0   0.0
!
cummingtonite2 - grunerite2
12          33000   0.0   0.0
cummingtonite2 - acam
12          18000   0.0   0.0
cummingtonite2 - bcam
12          23000   0.0   0.0
cummingtonite2 - mgriebekite
12         100000   0.0   0.0
!
grunerite2 - acam
12          12000   0.0   0.0
grunerite2 - bcam
12           8000   0.0   0.0
grunerite2 - mgriebekite
12         113500   0.0   0.0
!
acam - bcam
12          20000   0.0   0.0
acam - mgriebekite
12         100000   0.0   0.0
!
bcam - mgriebekite
12         111200   0.0   0.0
!
!=================================================================================
!=================================================================================
! cordierite tc325
! ----------
! Holland, TJB & Powell, R (1998) An internally consistent thermodynamic dataset
! for phases of petrological interest. Journal of Metamorphic Geology, 16, 309-343.
! Mahar, E.M., Baker, J.M., Powell, R. Holland, T.J.B. & Howell, N., 1997. 
! The effect of Mn on mineral stability in metapelites. 
! Journal of Metamorphic Geology, 15, 223-238.
!
*****  SOLUTION DATA  *****
CORD     (-SITE)     M(2):Fe,Mg,Mn - B(1):n,h
   cordierite           Mg,Mg - n
   Fe-cordierite        Fe,Fe - n
   Mn-cordierite        Mn,Mn - n
   hydr.cordierite      Mg,Mg - h
!
!=================================================================================
!=================================================================================
! spinel ideal
! ------
!
*****  SuLUTION DATA  *****
SPIN  (IDEAL)
  spinel  
  hercynite
!
!=================================================================================
!=================================================================================
! spinel tc330
! ------
!
! White, RW, Powell, R & Holland, TJB (2007) Progress relating to calculation
! of partial melting equilibria for metapelites. Journal of Metamorphic Geology,
! 25, 511-527. (from tx-NCKFMASHTO.txt in tc330 download.)
! approximation, model in fsol fails Gibbs-Duhem
!
*****  SOLUTION DATA  *****
SPIN     (-SITE,MARGULES)   A(1):Al,F3,Ti - B(1):Mg,Fe
  hercynite       Al - Fe
  spinel          Al - Mg
!  magnetite       F3 - Fe
  ulvospinel      Ti - Fe
!
*****  MARGULES PARAMETER  *****
hercynite - magnetite
12     18500      0.0      0.0
hercynite - ulvospinel
12     27000      0.0      0.0
!
spinel - magnetite
12     40000      0.0      0.0
spinel - ulvospinel
12     30000      0.0      0.0
!
!=================================================================================
!=================================================================================
! sapphirine kelsey 2004, kelsey 2004, coded in fsol
! ----------
! Kelsey, D.E., White, R.W., Holland, T.J.B. & Powell R. 2004. Calculated phase equilibria
! in K2O-FeO-MgO-Al2O3-SiO2-H2O for sapphirine-quartz-bearing mineral assemblages.
! Journal of Metamorphic Geology, 22, 559-578.
!
*****  SuLUTION DATA  *****
SAPPk     (-EXT,MARGULES)    M3(1):Mg,Fe,Al - M46(3):Mg,Fe - T3(1):Si,Al
   sapphirine_351       Al - Mg,Mg,Mg - Al
   sapphirine_221       Mg - Mg,Mg,Mg - Si
   Fe-sapph_221         Fe - Fe,Fe,Fe - Si
!
*****  MuRGULES PARAMETER  *****
sapphirine_351 - sapphirine_221
12    10000   0.0   0.0
sapphirine_351 - Fe-sapph_221
12    12000   0.0   0.0
sapphirine_221 - Fe-sapph_221
12     8000   0.0   0.0
!
!=================================================================================
!=================================================================================
! sapphirine kelsey 2004, approximation
! ----------
! Kelsey, D.E., White, R.W., Holland, T.J.B. & Powell R. 2004. Calculated phase equilibria
! in K2O-FeO-MgO-Al2O3-SiO2-H2O for sapphirine-quartz-bearing mineral assemblages.
! Journal of Metamorphic Geology, 22, 559-578.
! SAPP0 is an approxiamation because of forced equipartitioning
!
****MINERAL DATA*****   sapp (kelsey et al. 2004)
Fe-Saph_351          SI(1)AL(10)FE(3)O(20)    fspr5          nzh
 ST              0.0      -3000.000         0.0000         0.0000
COM    sapphirine_351[1]Fe-sapph_221[0.75]sapphirine_221[-0.75]
!
*****  SOLUTION DATA  *****
SAPP0     (SITE,MARGULES)    M3(1):Mg,Fe,Al - M46(3):Mg,Fe - T3(1):Si,Al
   sapphirine_221       Mg - Mg,Mg,Mg - Si
   Fe-sapph_221         Fe - Fe,Fe,Fe - Si
   sapphirine_351       Al - Mg,Mg,Mg - Al
   Fe-Saph_351          Al - Fe,Fe,Fe - Al
!
*****  MARGULES PARAMETER  *****
sapphirine_351 - sapphirine_221
12    10000   0.0   0.0
sapphirine_351 - Fe-sapph_221
12    12000   0.0   0.0
sapphirine_221 - Fe-sapph_221
12     8000   0.0   0.0
!
Fe-Saph_351 - sapphirine_221
12    12000   0.0   0.0
Fe-Saph_351 - Fe-sapph_221
12    10000   0.0   0.0
Fe-Saph_351 - sapphirine_351
12     8000   0.0   0.0
!
!=================================================================================
!=================================================================================
! osumilite kelsey 2004, translation 1
! ---------
! Kelsey, D.E., White, R.W., Holland, T.J.B. & Powell R. 2004. Calculated phase equilibria
! in K2O-FeO-MgO-Al2O3-SiO2-H2O for sapphirine-quartz-bearing mineral assemblages.
! Journal of Metamorphic Geology, 22, 559-578.
!
****MINERAL DATA*****   osum  (kelsey et al. 2004)
Fe-osum_2          SI(11)AL(3)FE(3)K(1)O(30)    fosm2         3nh
 ST              0.0          0.000         0.0000         0.0000
COM    osumilitE_2[1]Fe-osumilite[1.5]osumilitE_1[-1.5]
!
*****  SOLUTION DATA  *****
OSUM0    (SITE)     M1(2):Mg,Fe - T1(3):Al,Mg,Fe - T2(2):Al,Si
   osumilitE_1      Mg,Mg - Al,Al,Al - Al,Al
   Fe-osum_2        Fe,Fe - Fe,Al,Al - Al,Si
   Fe-osumilite     Fe,Fe - Al,Al,Al - Al,Al
   osumilitE_2      Mg,Mg - Mg,Al,Al - Al,Si  
!
!=================================================================================
!=================================================================================
! osumilite kelsey 2004, translation 2
! ---------
! Kelsey, D.E., White, R.W., Holland, T.J.B. & Powell R. 2004. Calculated phase equilibria
! in K2O-FeO-MgO-Al2O3-SiO2-H2O for sapphirine-quartz-bearing mineral assemblages.
! Journal of Metamorphic Geology, 22, 559-578.
!
*****  SuLUTION DATA  *****
OSUM    (-SITE)     M1(2):Mg,Fe - T1(3):Al,Mg - T2(2):Al,Si
   osumilitE_1      Mg,Mg - Al,Al,Al - Al,Al
   osumilitE_2      Mg,Mg - Mg,Al,Al - Al,Si  
   Fe-osumilite     Fe,Fe - Al,Al,Al - Al,Al
!
!=================================================================================
!=================================================================================
! liquid species correction for tc325 (Kelsey 2004)
! ------
!
****MuNERAL DATA***** (section only needed for tc325 (in kelsey already O(8)))
forsterite8.liq       MG(4)SI(2)O(8)    foL8          nhl
 ST              0.0     -15000.000        00.0000         0.0000
 COM    forsterite.liq[2]    0    forsterite.liq
fayalite8.liq         FE(4)SI(2)O(8)    faL8          nhl
 ST              0.0     -15000.000        00.0000         0.0000
 COM    fayalite.liq[2]    0    fayalite.liq
sillimanite8.liq      AL(3.2)SI(1.6)O(8)    silL8         nhl
 ST              0.0     -10000.000        00.0000         0.0000
 COM    sillimanite.liq[1.6]    0    sillimanite.liq
Silica8.liq           SI(4)O(8)    qL8           nhl
 ST              0.0       0000.000        00.0000         0.0000
 COM    Silica.liq[4]    0    Silica.liq
!
!=================================================================================
!=================================================================================
! liquid tc330
! ------
! White, RW, Powell, R & Holland, TJB (2007) Progress relating to calculation
! of partial melting equilibria for metapelites. Journal of Metamorphic Geology,
! 25, 511-527. (from tx-NCKFMASHTO.txt in tc330 download.)
! attention: in some databases (kelsey 2004) all species with 8 Oxygen
! and the dqf already corrected for the endmembers!!
!
****MuNERAL DATA***** (section only needed for tc (in kelsey already O(8)))
forsterite8.liq       MG(4)SI(2)O(8)    foL8          nhl
 ST              0.0     -10000.000        00.0000         0.0000
 COM    forsterite.liq[2]    0    forsterite.liq
fayalite8.liq         FE(4)SI(2)O(8)    faL8          nhl
 ST              0.0      -9000.000        00.0000        -1.3000
 COM    fayalite.liq[2]    0    fayalite.liq
sillimanite8.liq      AL(3.2)SI(1.6)O(8)    silL8         nhl
 ST              0.0     -10000.000        00.0000         0.0000
 COM    sillimanite.liq[1.6]    0    sillimanite.liq
Silica8.liq           SI(4)O(8)    qL8           nhl
 ST              0.0       0000.000        00.0000         0.0000
 COM    Silica.liq[4]    0    Silica.liq
!
*****  SuLUTION DATA  *****
LIQtc        (EXT,MARGULES) 
   Silica8.liq
   albite.liq
   K-feldspar.liq
   anorthite.liq
   sillimanite8.liq
   forsterite8.liq
   fayalite8.liq
   H2O.liq
 *****  MuRGULES PARAMETER  *****
Silica8.liq - albite.liq
12     12000.0   0.0   -0.40
Silica8.liq - K-feldspar.liq
12     -2000.0   0.0   -0.50
Silica8.liq - anorthite.liq
12    -10000.0   0.0    0.00
Silica8.liq - sillimanite8.liq
12     12000.0   0.0    0.00
Silica8.liq - forsterite8.liq
12     12000.0   0.0   -0.40
Silica8.liq - fayalite8.liq
12     14000.0   0.0    0.00
Silica8.liq - H2O.liq
12     15000.0   0.0    0.00
!
albite.liq - K-feldspar.liq
12     -6000.0   0.0    3.00
albite.liq - sillimanite8.liq
12     12000.0   0.0    0.00
albite.liq - forsterite8.liq
12     10000.0   0.0    0.00
albite.liq - fayalite8.liq
12      2000.0   0.0    0.00
albite.liq - H2O.liq
12      1000.0   0.0   -0.20
!
K-feldspar.liq - anorthite.liq
12         0.0   0.0   -1.00
K-feldspar.liq - sillimanite8.liq
12     12000.0   0.0    0.00
K-feldspar.liq - forsterite8.liq
12     12000.0   0.0    0.00
K-feldspar.liq - fayalite8.liq
12     12000.0   0.0    0.00
K-feldspar.liq - H2O.liq
12     11000.0   0.0   -0.45
!
anorthite.liq - H2O.liq
12      9000.0   0.0   -0.85
!
sillimanite8.liq - forsterite8.liq
12     12000.0   0.0    0.00
sillimanite8.liq - fayalite8.liq
12     12000.0   0.0    0.00
sillimanite8.liq - H2O.liq
12     16000.0   0.0    0.00
!
forsterite8.liq - fayalite8.liq
12     18000.0   0.0    0.00
forsterite8.liq - H2O.liq
12     11000.0   0.0   -0.50
!
fayalite8.liq - H2O.liq
12     12000.0   0.0    0.00
!
!=================================================================================
