| comments are indicated by the | character. | check for warnings at the end of the header section. Xu et al., EPSL '08 |<= data base title begin_standard_variables |<= name (<9 characters), reference value, tolerance P(bar) 1.00 1. T(K) 300.00 1. Y(CO2) 0.00 0.1E-6 mu(C1) 0.00 0.1E-2 mu(C2) 0.00 0.1E-2 end_standard_variables tolerance -1. |<= DTOL for unconstrained minimization, energy units begin_components |<= name (<5 characters), molar weight (g) NA2O 61.9790 MGO 40.3040 AL2O3 101.9610 SIO2 60.0840 CAO 56.0770 FEO 71.8440 end_components Xu et al., '08 EPSL data base is for high pressure phase relations and seismic velocities. The data base is for a specialized EoS, the non-zero parameters stored here are (in order): f0 -n -v0 k0 k0' td gam0 q etaS0 Sconf g0 g0' This data base should be used with the following solution models: Pl(stx8) Sp(stx8) O(stx8) Wad(stx8) Ring(stx8) Opx(stx8) Cpx(stx8) Pv(stx7) Ppv(stx8) CF(stx8) C2/c(stx) Wus(stx7) Aki(stx8) Gt(stx8) The error values are from the stx07ver.dat file and should be updated before use. Magnetic Sconf for all FeO-endmembers assumes high spin state. end |<= end of header section ky EoS = 6 | Kyanite Al2SiO5 AL2O3(1)SIO2(1) G0 = -2442976 S0 = -8 V0 = -4.4227 c1 = 1600000 c2 = 4 c3 = 943.167 c4 = .926 c5 = 1 c6 = 2.347 m0 = 952820 m1 = 1.37 end | 22d3 0 0.1 50d3 10 2 0.05 1 1 30d3 .5 an EoS = 6 | Anorthite CaAl2Si2O8 AL2O3(1)SIO2(2)CAO(1) G0 = -4011247 S0 = -13 V0 = -10.061 c1 = 840890 c2 = 4 c3 = 752.391 c4 = .392 c5 = 1 c6 = 1.625 m0 = 399000 m1 = 1.091 end | 22d3 0 0.1 50d3 10 2 0.05 1 1 30d3 .5 ab EoS = 6 | Albite NaAlSi3O8 No disorder NA2O(.5)AL2O3(.5)SIO2(3) G0 = -3718865 S0 = -13 V0 = -10.0452 c1 = 597620 c2 = 4 c3 = 714.253 c4 = .567 c5 = 1 c6 = 1.042 m0 = 360000 m1 = 1.386 end | 22d3 0 0.1 50d3 10 2 0.05 1 1 30d3 .5 sp EoS = 6 | Spinel (Mg3Al1)(Al7Mg1)O16 -8.685E+06 MGO(4)AL2O3(4) G0 = -8695805 S0 = -28 V0 = -15.9048 c1 = 1969730 c2 = 5.683 c3 = 883.985 c4 = 1.024 c5 = 2.771 c6 = 2.694 c7 = 43.76 m0 = 1085000 m1 = .373 end | 28d3 0 0.16 10d3 2 247 .04 .6 .6 100d3 .5 herc EoS = 6 | Hercynite (Fe3Al1)(Al7Fe1)O16 AL2O3(4)FEO(4) G0 = -7316532 S0 = -28 V0 = -16.3372 c1 = 2089060 c2 = 5.683 c3 = 771.354 c4 = 1.216 c5 = 2.771 c6 = 2.774 c7 = 97.28 m0 = 845000 m1 = .373 end | 35d3 0 0.16 20d3 1 23 0.07 1 1 130d3 .5 fo EoS = 6 | Forsterite Mg2SiO4 MGO(2)SIO2(1) G0 = -2058018 S0 = -7 V0 = -4.3603 c1 = 1279550 c2 = 4.218 c3 = 809.17 c4 = .993 c5 = 2.107 c6 = 2.3 m0 = 816000 m1 = 1.463 end | 2d3 0 0.044 20d3 .2 1 0.03 .2 .1 20d3 .1 fa EoS = 6 | Fayalite Fe2SiO4 SIO2(1)FEO(2) G0 = -1370520 S0 = -7 V0 = -4.629 c1 = 1349620 c2 = 4.218 c3 = 618.701 c4 = 1.06 c5 = 3.647 c6 = 1.025 c7 = 26.76 m0 = 509000 m1 = 1.463 end | 2d3 0 0.046 20d3 1 2 0.07 1 .6 20d3 .5 wad EoS = 6 | Mg-Wadsleyite Mg2SiO4 MGO(2)SIO2(1) G0 = -2031694 S0 = -7 V0 = -4.0515 c1 = 1686990 c2 = 4.323 c3 = 853.272 c4 = 1.209 c5 = 2.015 c6 = 2.644 m0 = 1120000 m1 = 1.444 end | 1d3 0 0.041 30d3 .2 4 0.09 1 .4 20d3 .2 fwad EoS = 6 | Fe-Wadsleyite Fe2SiO4 SIO2(1)FEO(2) G0 = -1367488 S0 = -7 V0 = -4.28 c1 = 1686360 c2 = 4.323 c3 = 719.38 c4 = 1.209 c5 = 2.015 c6 = 1.067 c7 = 26.76 m0 = 720000 m1 = 1.444 end | 10d3 0 0.043 130d3 1 27 .3 1 1 120d3 .5 ring EoS = 6 | Mg-Ringwoodite Mg2SiO4 MGO(2)SIO2(1) G0 = -2021303 S0 = -7 V0 = -3.9493 c1 = 1849060 c2 = 4.22 c3 = 890.88 c4 = 1.111 c5 = 2.396 c6 = 2.313 m0 = 1230000 m1 = 1.354 end | 2d3 0 0.039 20d3 .2 6 .10 .4 .5 20d3 .1 fring EoS = 6 | Fe-Ringwoodite Fe2SiO4 SIO2(1)FEO(2) G0 = -1357053 S0 = -7 V0 = -4.186 c1 = 2134090 c2 = 4.22 c3 = 652.302 c4 = 1.262 c5 = 2.396 c6 = 1.77 c7 = 26.76 m0 = 920000 m1 = 1.354 end | 2d3 0 0.042 70d3 1 8 .22 1 1 100d3 .5 en EoS = 6 | Enstatite Mg4Si4O12 MGO(4)SIO2(4) G0 = -5832943 S0 = -20 V0 = -12.5352 c1 = 1070770 c2 = 7.028 c3 = 812.185 c4 = .785 c5 = 3.438 c6 = 2.505 m0 = 768000 m1 = 1.546 end | 6d3 0 0.125 20d3 .4 8 .04 1.1 .5 10d3 .1 fs EoS = 6 | Ferrosilite Fe4Si4O12 SIO2(4)FEO(4) G0 = -4451193 S0 = -20 V0 = -13.1882 c1 = 1005390 c2 = 7.028 c3 = 674.33 c4 = .719 c5 = 3.438 c6 = 1.077 c7 = 53.52 m0 = 520000 m1 = 1.546 end | 8d3 0 0.132 40d3 .5 14 .08 1 1 50d3 .5 ts EoS = 6 | Mg-Tschermaks Mg2Al2Si2Al2O12 NO DISORDER! MGO(2)AL2O3(2)SIO2(2) G0 = -6019930 S0 = -20 V0 = -12.08 c1 = 1070770 c2 = 7.028 c3 = 794.257 c4 = .785 c5 = 3.438 c6 = 2.358 m0 = 903140 m1 = 1.546 end odi EoS = 6 | Orthodiopside Ca2Mg2Si4O12 MGO(2)SIO2(4)CAO(2) G0 = -6001752 S0 = -20 V0 = -13.6108 c1 = 1070770 c2 = 7.028 c3 = 728.528 c4 = .785 c5 = 3.438 c6 = 1.38 m0 = 591400 m1 = 1.546 end | 19d3 0 0.121 100d3 1 27 .3 1 1 100d3 .5 c2/c EoS = 6 | Mg-C2/c Mg4Si4O12 MGO(4)SIO2(4) G0 = -5815047 S0 = -20 V0 = -12.152 c1 = 1160250 c2 = 6.237 c3 = 822.366 c4 = 1.124 c5 = .203 c6 = 2.141 m0 = 879270 m1 = 1.841 end | 6d3 0 0.122 10d3 .3 7 .05 .5 .5 10d3 .1 fc2/c EoS = 6 | Fe-C2/c Fe4Si4O12 SIO2(4)FEO(4) G0 = -4443323 S0 = -20 V0 = -12.7708 c1 = 1160250 c2 = 6.237 c3 = 690.292 c4 = 1.124 c5 = .203 c6 = .667 c7 = 53.52 m0 = 675250 m1 = 1.841 end | 8d3 0 0.128 100d3 1 11 .30 1 1 100d3 .5 di EoS = 6 | Diopside Ca2Mg2Si4O12 MGO(2)SIO2(4)CAO(2) G0 = -6059063 S0 = -20 V0 = -13.2078 c1 = 1122410 c2 = 5.239 c3 = 781.615 c4 = .959 c5 = 1.529 c6 = 1.574 m0 = 670000 m1 = 1.373 end | 6d3 0 0.132 50d3 1.8 5 .05 2 1 20d3 .5 hed EoS = 6 | Hedenbergite Ca2Fe2Si4O12 SIO2(4)CAO(2)FEO(2) G0 = -5347520 S0 = -20 V0 = -13.5734 c1 = 1192550 c2 = 5.239 c3 = 701.585 c4 = .935 c5 = 1.529 c6 = 1.57 c7 = 26.76 m0 = 610000 m1 = 1.176 end | 50d3 0 0.136 40d3 1 4 .06 1 1 10d3 .5 mdi EoS = 6 | Mg-Diopside Mg2Mg2Si4O12 MGO(4)SIO2(4) G0 = -5820603 S0 = -20 V0 = -12.6 c1 = 1122410 c2 = 5.239 c3 = 806.271 c4 = .959 c5 = 1.529 c6 = 1.703 m0 = 786770 m1 = 1.612 end | 14d3 0 0.126 100d3 1 14 .30 1 1 100d3 .5 cts EoS = 6 | Ca-Tschermak Ca2Al2Si2Al2O12 disordered AL2O3(2)SIO2(2)CAO(2) G0 = -6237499 S0 = -20 V0 = -12.7148 c1 = 1122410 c2 = 5.239 c3 = 803.575 c4 = .781 c5 = 1.529 c6 = 1.972 c7 = 23.05 m0 = 753390 m1 = 1.544 end | 14d3 0 0.126 100d3 1 14 .30 1 1 100d3 .5 jd EoS = 6 | Jadeite Na2Al2Si4O12 NA2O(1)AL2O3(1)SIO2(4) G0 = -5710382 S0 = -20 V0 = -12.1016 c1 = 1422870 c2 = 5.239 c3 = 820.762 c4 = .903 c5 = .392 c6 = 2.185 m0 = 850000 m1 = 1.374 end | 14d3 0 0.126 100d3 1 14 .30 1 1 100d3 .5 py EoS = 6 | Pyrope Mg3Al1Al1Si3O12 MGO(3)AL2O3(1)SIO2(3) G0 = -5939995 S0 = -20 V0 = -11.308 c1 = 1702400 c2 = 4.111 c3 = 823.21 c4 = 1.014 c5 = 1.422 c6 = .982 m0 = 937000 m1 = 1.358 end | 5d3 0 0.113 20d3 .3 4 .06 .5 .3 20d3 .2 alm EoS = 6 | Almandine Fe3Al1Al1Si3O12 AL2O3(1)SIO2(3)FEO(3) G0 = -4932469 S0 = -20 V0 = -11.543 c1 = 1738960 c2 = 4.913 c3 = 741.356 c4 = 1.065 c5 = 1.422 c6 = 2.093 c7 = 40.14 m0 = 960000 m1 = 1.409 end | 11d3 0 0.115 30d3 .3 5 .06 1 1 30d3 .5 gr EoS = 6 | Grossular Ca3Al1Al1Si3O12 AL2O3(1)SIO2(3)CAO(3) G0 = -6273499 S0 = -20 V0 = -12.512 c1 = 1670620 c2 = 3.915 c3 = 822.743 c4 = 1.054 c5 = 1.889 c6 = 2.384 m0 = 1090000 m1 = 1.163 end | 56d3 0 0.125 10d3 .4 2 .06 .4 .2 10d3 .2 maj EoS = 6 | Majorite Mg3Mg1Si1Si3O12 S with B site disorder =11.526 MGO(4)SIO2(4) G0 = -5686763 S0 = -20 V0 = -11.4324 c1 = 1651230 c2 = 4.212 c3 = 835.834 c4 = .979 c5 = 1.543 c6 = 1.024 c7 = 11.526 m0 = 850000 m1 = 1.43 end | 5d3 0 0.114 30d3 .3 4 .07 .5 .3 20d3 .2 jmaj EoS = 6 | Jd-Majorite Na2Al2Si4O12 ordered NA2O(1)AL2O3(1)SIO2(4) G0 = -5486110 S0 = -20 V0 = -11.094 c1 = 1770280 c2 = 4.111 c3 = 832.224 c4 = 1.014 c5 = 1.422 c6 = 3.231 m0 = 1250000 m1 = 1.358 end | 5d3 0 0.114 30d3 .3 4 .07 .5 .3 20d3 .2 aki EoS = 6 | Mg-Akimotoite MgSiO3 (ilmenite structure) MGO(1)SIO2(1) G0 = -1410058 S0 = -5 V0 = -2.6354 c1 = 2107040 c2 = 5.621 c3 = 927.999 c4 = 1.187 c5 = 2.354 c6 = 2.804 m0 = 1320000 m1 = 1.579 end | 1d3 0 0.026 40d3 .5 5 .13 1 1 80d3 .5 faki EoS = 6 | Fe-Akimotoite FeSiO3 SIO2(1)FEO(1) G0 = -1070026 S0 = -5 V0 = -2.6854 c1 = 2107040 c2 = 5.621 c3 = 870.669 c4 = 1.187 c5 = 2.354 c6 = 3.267 c7 = 13.38 m0 = 1443590 m1 = 1.579 end | 29d3 0 0.027 100d3 1 118 .30 1 1 100d3 .5 cor EoS = 6 | corundum Al2O3 AL2O3(1) G0 = -1582445 S0 = -5 V0 = -2.5577 c1 = 2525460 c2 = 4.337 c3 = 932.57 c4 = 1.324 c5 = 1.303 c6 = 2.832 m0 = 1632000 m1 = 1.642 end | 4d3 0 0.026 50d3 .2 3 .04 .2 .2 20d3 .1 perov EoS = 6 | Mg-Perovskite MgSiO3 MGO(1)SIO2(1) G0 = -1367372 S0 = -5 V0 = -2.4445 c1 = 2508960 c2 = 4.123 c3 = 901.766 c4 = 1.441 c5 = 1.424 c6 = 2.608 m0 = 1750000 m1 = 1.727 end | 1d3 0 0.024 30d3 .1 4 .05 .5 .6 20d3 .2 aperov EoS = 6 | Al-Perovskite Al2O3 AL2O3(1) G0 = -1516155 S0 = -5 V0 = -2.549 c1 = 2280000 c2 = 4.123 c3 = 886.187 c4 = 1.441 c5 = 1.424 c6 = 2.809 m0 = 1574970 m1 = 1.727 end | 7d3 0 0.025 100d3 .5 36 .30 1 1 100d3 .5 fperov EoS = 6 | Fe-Perovskite FeSiO3 intermediate spin 8.77 SIO2(1)FEO(1) G0 = -1017978 S0 = -5 V0 = -2.54 c1 = 2722990 c2 = 4.123 c3 = 767.451 c4 = 1.441 c5 = 1.424 c6 = 1.852 c7 = 13.38 m0 = 1323240 m1 = 1.727 end | 3d3 0 0.025 400d3 1 10 .30 1 1 400d3 .5 ca-pv EoS = 6 | Ca-Perovskite CaSiO3 -1.464E+06 SIO2(1)CAO(1) G0 = -1464134 S0 = -5 V0 = -2.745 c1 = 2360000 c2 = 3.9 c3 = 802.644 c4 = 1.891 c5 = .895 c6 = 1.29 m0 = 1567880 m1 = 2.227 end | 5d3 0 0.027 40d3 .2 28 .07 1.6 1 120d3 .5 per EoS = 6 | Periclase MgO MGO(1) G0 = -569559 S0 = -2 V0 = -1.1244 c1 = 1610520 c2 = 3.858 c3 = 772.397 c4 = 1.483 c5 = 1.553 c6 = 2.292 m0 = 1302000 m1 = 2.267 end | 1d3 0 0.011 30d3 .2 9 .02 .2 .2 30d3 .1 wus EoS = 6 | Wuestite FeO low spin S = 5.59 FEO(1) G0 = -243534 S0 = -2 V0 = -1.2264 c1 = 1794260 c2 = 4.933 c3 = 454.179 c4 = 1.536 c5 = 1.553 c6 = .602 c7 = 13.38 m0 = 466000 m1 = .713 end | 1d3 0 0.012 10d3 .2 7 .13 1 1 10d3 .1 stv EoS = 6 | Stishovite SiO2 SIO2(1) G0 = -814928 S0 = -3 V0 = -1.4017 c1 = 3143160 c2 = 3.751 c3 = 1055.65 c4 = 1.352 c5 = 2.904 c6 = 4.559 m0 = 2200000 m1 = 1.933 end | 2d3 0 0.014 80d3 .2 21 .17 2.2 1 120d3 .5 q EoS = 6 | quartz SiO2 SIO2(1) G0 = -858835 S0 = -3 V0 = -2.367 c1 = 495480 c2 = 15.541 c3 = 816.331 c4 = -.3E-2 c5 = 1 c6 = 2.365 m0 = 448560 m1 = 1 end | 2d3 0 0.014 80d3 .2 21 .17 2.2 1 120d3 .5 coe EoS = 6 | Coesite SiO2 SIO2(1) G0 = -855060 S0 = -3 V0 = -2.0657 c1 = 1135860 c2 = 4 c3 = 855.885 c4 = .391 c5 = 1 c6 = 2.397 m0 = 616000 m1 = 1.247 end | 2d3 0 0.014 80d3 .2 21 .17 2.2 1 120d3 .5 seif EoS = 6 | Seiferite SiO2 PbO2 structure SIO2(1) G0 = -785298 S0 = -3 V0 = -1.367 c1 = 3275240 c2 = 4.016 c3 = 1047.8 c4 = 1.352 c5 = 2.904 c6 = 4.817 m0 = 2274450 m1 = 1.77 end | 2d3 0 0.014 80d3 .2 21 .17 2.2 1 120d3 .5 ppv EoS = 6 | Mg-Post-Perovskite MgSiO3 MGO(1)SIO2(1) G0 = -1360224 S0 = -5 V0 = -2.474 c1 = 2190000 c2 = 4 c3 = 848.82 c4 = 1.722 c5 = 1.851 c6 = 3.031 m0 = 1337540 m1 = 2.012 end | 1d3 0 0.024 30d3 .1 4 .05 .5 .6 20d3 .2 appv EoS = 6 AL2O3(1) G0 = -1405000 S0 = -5 V0 = -2.4264 c1 = 2370000 c2 = 4 c3 = 847 c4 = 1.722 c5 = 1.851 c6 = 2.255 m0 = 1848080 m1 = 2.012 end | 1d3 0 0.024 30d3 .1 4 .05 .5 .6 20d3 .2 fppv EoS = 6 | Fe-Post-Perovskite FeSiO3 SIO2(1)FEO(1) G0 = -937573 S0 = -5 V0 = -2.5695 c1 = 2190000 c2 = 4 c3 = 533.326 c4 = 1.722 c5 = 1.851 c6 = 1.853 c7 = 13.38 m0 = 1734350 m1 = 2.012 end | 1d3 0 0.024 30d3 .1 4 .05 .5 .6 20d3 .2 mfer EoS = 6 | Mg-Ca-ferrite MgAlAlO4 MGO(1)AL2O3(1) G0 = -2128581 S0 = -7 V0 = -3.6177 c1 = 2106010 c2 = 4.053 c3 = 862.597 c4 = 1.311 c5 = 1 c6 = 2.132 m0 = 1297840 m1 = 1.759 end | 1d3 0 0.024 30d3 .1 4 .05 .5 .6 20d3 .2 ffer EoS = 6 | Fe-Ca-ferrite FeAlAlO4 AL2O3(1)FEO(1) G0 = -1784889 S0 = -7 V0 = -3.7258 c1 = 2106010 c2 = 4.053 c3 = 739.597 c4 = 1.311 c5 = 1 c6 = 2.744 c7 = 13.38 m0 = 1475130 m1 = 1.759 end | 1d3 0 0.024 30d3 .1 4 .05 .5 .6 20d3 .2 nfer EoS = 6 | Na-Ca-ferrite NaAlSiO4 al-si disorder despite xu table. NA2O(.5)AL2O3(.5)SIO2(1) G0 = -1853993 S0 = -7 V0 = -3.627 c1 = 1581690 c2 = 4.334 c3 = 823.455 c4 = 1.172 c5 = 1 c6 = 1.642 c7 = 11.525 m0 = 1206060 m1 = 2.092 end | 1d3 0 0.024 30d3 .1 4 .05 .5 .6 20d3 .2