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FeTiVO.dat
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FeTiVO.dat
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System Fe-V-Ti-O
4 5 8 15 8 3 2 21
Fe V Ti
O
55.84500000 50.94150000 47.86700000
15.99940000
6 1 2 3 4 5 6
6 1 2 3 4 5 6
gas_ideal
IDMX
O2
4 4 0.0 0.0 0.0 2.0
1000.0000 -5219.3324 -12.179856 -26.924057 -.84893408E-02
0.11276942E-05 -114664.63
1 -316.64663 0.50
4000.0000 -389938.78 638.67678 -89.681327 0.72372244E-03
0.00000000 9341343.0
2 -16506.149 0.50 95803.960 99.00
6000.0000 -8951197.1 2742.7612 -249.17312 0.00000000
0.00000000 0.59248921E+09
2 -139742.68 0.50 1674792.2 99.00
6000.0000 -42014.302 116.92408 -44.371534 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
Ti
4 4 0.0 0.0 1.0 0.0
2000.0000 465357.44 -33.913367 -22.378973 0.21425090E-02
-.43710975E-06 -67298.939
1 472.15645 99.00
3631.0000 491811.69 -176.65103 -3.2747113 -.51431381E-02
0.92205247E-07 -5869922.2
1 0.00000000 0.00
6000.0000 8659630.2 -1744.0234 101.74691 0.00000000
0.00000000 -.52588442E+09
2 -1510245.6 99.00 113796.46 0.50
6000.0000 394786.66 157.77101 -43.037770 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
V
4 4 0.0 1.0 0.0 0.0
1100.0000 316100.27 1349.0443 -163.50796 0.12523975E-01
0.00000000 1725633.5
2 72116.540 99.00 -23005.463 0.50
3900.0000 951915.07 -1496.3018 116.37513 -.66809453E-02
0.00000000 -5285610.9
2 -136655.76 99.00 32161.474 0.50
6000.0000 -6814754.2 3369.3456 -299.32893 0.00000000
0.00000000 0.37880953E+09
2 1475145.4 99.00 -149285.55 0.50
6000.0000 429641.47 148.22811 -42.324476 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
Fe
1 1 1.0 0.0 0.0 0.0
6000.0000 398104.44 8.2908473 -27.062112 0.00000000
0.00000000 0.00000000
TiO2
4 4 0.0 0.0 1.0 2.0
1300.0000 -302512.41 183.46520 -62.610000 0.00000000
0.00000000 0.00000000
2 -388.96000 0.50 -3880.0000 99.00
3600.0000 -325434.39 121.57791 -55.940000 -.37920000E-03
0.00000000 0.00000000
1 0.00000000 0.00
6000.0000 -317217.32 85.095087 -51.500000 -.97850000E-03
0.00000000 0.00000000
1 0.00000000 0.00
6000.0000 -352443.32 187.24479 -63.242000 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
VO
4 4 0.0 1.0 0.0 1.0
1800.0000 146194.39 88.435895 -45.290974 0.21878005E-02
-.17283456E-06 -344278.69
1 -6299.2092 99.00
3800.0000 -862987.00 579.31870 -81.095873 -.11277542E-02
0.00000000 35334138.
2 210993.76 99.00 -24280.733 0.50
6000.0000 5537155.3 -955.19804 33.066779 0.00000000
0.00000000 -.38339174E+09
2 -975723.34 99.00 68686.590 0.50
6000.0000 74798.014 115.69301 -47.297222 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
VO2
4 2 0.0 1.0 0.0 2.0
6000.0000 -256981.20 135.43358 -58.250973 0.00000000
0.00000000 1479754.2
2 -10.241767 0.50 -84571567. -2.00
6000.0000 -256214.17 134.23194 -58.138059 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
FeO
4 4 1.0 0.0 0.0 1.0
1600.0000 264803.57 73.878100 -45.086391 0.24171143E-02
-.21947562E-06 -253638.11
1 -5386.0381 99.00
3900.0000 -835030.31 1185.8168 -140.03746 0.13685586E-02
0.00000000 31173911.
2 253414.30 99.00 -37141.239 0.50
6000.0000 2605868.6 -473.96633 -2.4118912 0.00000000
0.00000000 -.15109282E+09
2 -436463.46 99.00 32771.727 0.50
6000.0000 215668.36 70.785429 -43.832320 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
SlagBsoln
SUBQ
5 5
Fe2O3
1 2 2.0 0.0 0.0 3.0
6000.0000 -795759.80 794.51915 -137.00900 0.00000000
0.00000000 1453820.0
6000.0000 -794790.59 793.69536 -136.92823 0.00000000
0.00000000 0.00000000
2.00000 3.00000 0.000000 0.000000 0.000000
2.40000
FeO
4 2 1.0 0.0 0.0 1.0
1644.1500 -290958.45 -349.65717 18.024474 -.15304030E-01
0.00000000 1266650.0
1 6003.6000 0.50
6000.0000 -268094.66 398.28873 -68.199200 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
1.00000 1.00000 0.000000 0.000000 0.000000
2.40000
V2O5
1 2 0.0 2.0 0.0 5.0
600.00000 -1553409.0 935.98166 -164.31295 -.11790000E-01
0.00000000 1814103.2
6000.0000 -1559003.8 1112.6434 -190.79000 0.00000000
0.00000000 0.00000000
1.00000 2.00000 0.000000 0.000000 0.000000
2.40000
TiO2
4 2 0.0 0.0 1.0 2.0
2130.0000 -930962.65 463.13287 -77.837621 0.00000000
0.00000000 1683920.5
1 -67156779. -2.00
6000.0000 -977517.86 658.39191 -100.41600 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
1.00000 2.00000 0.000000 0.000000 0.000000
2.40000
Ti2O3
4 2 0.0 0.0 2.0 3.0
2115.0000 -1442547.9 1105.6882 -169.96111 0.00000000
0.00000000 -804824.4
2 -3000.8748 0.50 0.26092017E+09 -2.00
6000.0000 -1484513.6 960.11954 -156.90000 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
2.00000 3.00000 0.000000 0.000000 0.000000
2.40000
5 1
Fe[3+] Fe[2+] V2O3
Ti[4+] Ti[3+]
O
3.00000 2.00000 4.00000 4.00000 3.00000
1 1 1 1 1
2.00000
1
1 2 3 4 5
1 1 1 1 1
1 1 6 6 2.0661656 2.0661656 1.3774438 1.3774438
2 2 6 6 1.3700000 1.3700000 1.3700000 1.3700000
3 3 6 6 2.7548875 2.7548875 1.3774438 1.3774438
4 4 6 6 2.7548875 2.7548875 1.3774438 1.3774438
5 5 6 6 2.0661656 2.0661656 1.3774438 1.3774438
3
Q 1 2 6 6 1 0 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 13694.000 -16.736000 0.00000000 0.00000000
0.00000000 0.00000000
3
Q 1 2 6 6 7 0 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 129643.75 -60.250000 0.00000000 0.00000000
0.00000000 0.00000000
3
G 1 3 6 6 0 0 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3
G 1 3 6 6 1 0 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 -58127.535 33.872794 0.00000000 0.00000000
0.00000000 0.00000000
3
G 2 3 6 6 0 0 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3
G 2 3 6 6 0 1 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3
G 2 3 6 6 1 0 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3
G 1 3 6 6 0 1 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 -13515.571 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3
Q 4 5 6 6 0 0 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 18913.000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3
Q 4 5 6 6 1 0 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 -175126.00 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3
Q 4 5 6 6 2 0 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 338410.00 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3
Q 4 5 6 6 3 0 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 -177916.00 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3
Q 2 4 6 6 0 0 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 -12405.000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3
Q 2 4 6 6 0 2 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 -10227.000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3
G 3 4 6 6 1 0 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 -56303.221 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3
G 3 4 6 6 0 1 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 0.00000000 -33.500000 0.00000000 0.00000000
0.00000000 0.00000000
3
G 3 4 6 6 0 0 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 45402.349 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3
G 3 5 6 6 0 0 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3
G 3 5 6 6 1 0 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3
G 3 5 6 6 0 1 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3
G 1 4 6 6 0 0 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 152411.39 -92.672695 0.00000000 0.00000000
0.00000000 0.00000000
3
G 1 4 6 6 1 0 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3
G 1 4 6 6 0 1 0 0
0.00000000 1.00 0.00000000 1.00 0.00000000 1.00
0.00000000 0.00 0.00000000 0.00 0.00000000 0.00
0 0 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
-9
1 2 3K 1 2K 1 3K 2 3 6
1 2 4K 1 2K 1 4K 2 4 6
1 2 5K 1 2K 1 5K 2 5 6
1 3 4K 1 3K 1 4K 3 4 6
1 3 5K 1 3K 1 5K 3 5 6
1 4 5K 1 4K 1 5K 4 5 6
2 3 4K 2 3K 2 4K 3 4 6
2 4 5K 2 4K 2 5K 4 5 6
3 4 5K 3 4K 3 5K 4 5 6
Rutilesoln
SUBL
TiO2
4 2 0.0 0.0 1.0 2.0
2130.0000 -976986.65 484.74038 -77.837621 0.00000000
0.00000000 1683920.5
1 -67156779. -2.00
6000.0000 -1023541.9 679.99942 -100.41600 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
VO2[1+]
4 5 0.0 1.0 0.0 2.0
943.00000 -613859.46 -191.48075 -12.693474 -.12171853E-01
0.00000000 -188540.66
2 -38383.805 99.00 11707.605 0.50
1000.0000 -636214.64 -163.93464 0.00000000 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
4000.0000 -636214.64 -163.93464 0.00000000 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
6000.0000 1636261.2 -923.66532 62.293279 0.00000000
0.00000000 -.14812230E+09
2 34935.670 0.50 -418698.06 99.00
6000.0000 -591034.51 -267.20605 11.092883 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
O[4-]
4 4 0.0 0.0 0.0 2.0
1000.0000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
4000.0000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
6000.0000 -9089903.3 3038.9227 -249.17312 0.00000000
0.00000000 0.59248921E+09
2 -139742.68 0.50 1674792.2 99.00
6000.0000 -180720.52 413.08563 -44.371534 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
FeO2[-1]
4 5 1.0 0.0 0.0 2.0
1000.0000 -396323.27 413.14950 -75.235479 -.21223352E-02
0.28192355E-06 698243.84
1 -79.161659 0.50
2500.0000 -492503.13 575.86366 -90.924797 0.18093061E-03
0.00000000 3062245.7
2 -4126.5372 0.50 23950.990 99.00
4000.0000 -491340.07 573.69478 -90.692186 0.18093061E-03
0.00000000 2335335.7
2 -4126.5372 0.50 23950.990 99.00
6000.0000 -2631654.7 1099.7159 -130.56513 0.00000000
0.00000000 0.14812230E+09
2 -34935.670 0.50 418698.06 99.00
6000.0000 -404358.95 443.25661 -79.364737 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
Ti[4+]
4 5 0.0 0.0 1.0 0.0
1000.0000 -971767.32 597.93303 -50.913564 0.84893408E-02
-.11276942E-05 1798585.1
2 -67156779. -2.00 316.64663 0.50
2130.0000 -587047.87 -52.923610 11.843706 -.72372244E-03
0.00000000 -7657422.5
3 -67156779. -2.00 16506.149 0.50 -95803.960 99.00
4000.0000 -633603.07 142.33543 -10.734673 -.72372244E-03
0.00000000 -9341343.0
2 16506.149 0.50 -95803.960 99.00
6000.0000 7927655.2 -1961.7489 148.75712 0.00000000
0.00000000 -.59248921E+09
2 139742.68 0.50 -1674792.2 99.00
6000.0000 -981527.56 664.08813 -56.044466 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
V[5+]
4 5 0.0 1.0 0.0 0.0
943.00000 -608640.13 -78.288097 14.230584 -.36825122E-02
-.11276942E-05 -73876.037
2 -38383.805 99.00 12024.252 0.50
1000.0000 -630995.31 -50.741991 26.924057 0.84893408E-02
-.11276942E-05 114664.63
1 316.64663 0.50
4000.0000 -246275.85 -701.59863 89.681327 -.72372244E-03
0.00000000 -9341343.0
2 16506.149 0.50 -95803.960 99.00
6000.0000 8314982.5 -2805.6830 249.17312 0.00000000
0.00000000 -.59248921E+09
2 139742.68 0.50 -1674792.2 99.00
6000.0000 -594200.34 -179.84593 44.371534 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
Va
4 4 0.0 0.0 0.0 0.0
1000.0000 5219.3324 113.19265 26.924057 0.84893408E-02
-.11276942E-05 114664.63
1 316.64663 0.50
4000.0000 389938.78 -537.66399 89.681327 -.72372244E-03
0.00000000 -9341343.0
2 16506.149 0.50 -95803.960 99.00
6000.0000 8951197.1 -2641.7484 249.17312 0.00000000
0.00000000 -.59248921E+09
2 139742.68 0.50 -1674792.2 99.00
6000.0000 42014.302 -15.911284 44.371534 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
Fe[3+]
4 5 1.0 0.0 0.0 0.0
1000.0000 -391103.93 526.34215 -48.311422 0.63670056E-02
-.84577066E-06 812908.47
1 237.48498 0.50
2500.0000 -102564.35 38.199673 -1.2434697 -.54279183E-03
0.00000000 -6279097.2
2 12379.612 0.50 -71852.970 99.00
4000.0000 -101401.29 36.030796 -1.0108585 -.54279183E-03
0.00000000 -7006007.2
2 12379.612 0.50 -71852.970 99.00
6000.0000 6319542.4 -1542.0325 118.60798 0.00000000
0.00000000 -.44436691E+09
2 104807.01 0.50 -1256094.2 99.00
6000.0000 -362344.65 427.34532 -34.993203 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
2
1.00000 2.00000
4 2
Ti[4+] V[5+] Va
Fe[3+]
O[2-] Va
1 2 3 4 1 2 3 4
1 1 1 1 2 2 2 2
0
Hemasoln
SUBL
Fe2O3
1 2 2.0 0.0 0.0 3.0
2500.0000 -861183.05 828.05005 -137.00893 0.00000000
0.00000000 1453820.0
6000.0000 -858856.94 823.71230 -136.54371 0.00000000
0.00000000 0.00000000
V2O3[4+]
4 5 0.0 2.0 0.0 3.0
943.00000 -1180496.4 -273.24500 -25.972499 -.24343706E-01
0.00000000 -377081.33
2 -76767.609 99.00 23415.211 0.50
1000.0000 -1224654.6 -222.74882 0.00000000 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
4000.0000 -1224654.6 -222.74882 0.00000000 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
6000.0000 4865580.6 -2258.8270 166.94599 0.00000000
0.00000000 -.39696777E+09
2 93627.595 0.50 -1122110.8 99.00
6000.0000 -1103571.9 -499.51619 29.728928 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
Ti2O3[2+]
4 5 0.0 0.0 2.0 3.0
1000.0000 -1716363.3 984.91433 -155.67524 0.00000000
0.00000000 3367841.0
1 -.13431356E+09 -2.00
2130.0000 -1716363.3 984.91433 -155.67524 0.00000000
0.00000000 3367841.0
1 -.13431356E+09 -2.00
4000.0000 -1809473.7 1375.4324 -200.83200 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
6000.0000 1190194.4 372.58791 -118.60487 0.00000000
0.00000000 -.19552144E+09
2 46115.084 0.50 -552681.44 99.00
6000.0000 -1749835.9 1239.1141 -186.18939 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
2
2.00000 3.00000
3 1
Fe V Ti
O
1 2 3
1 1 1
0
Brok1soln
QKTO
Fe2TiO5
1 2 2.0 0.0 1.0 5.0
2000.0000 -1813164.7 1143.5787 -192.58952 -.11003920E-01
0.00000000 1550172.0
2000.0000 -1854080.0 1471.0836 -235.83011 0.00000000
0.00000000 0.00000000
1.00000 1
V2O5
4 3 0.0 2.0 0.0 5.0
943.00000 -1399506.3 -366.83510 -25.972499 -.24409615E-01
0.00000000 -377081.33
2 -76767.609 99.00 23415.211 0.50
1500.0000 -1602354.8 924.57294 -154.61390 -.14560662E-01
0.00000000 0.00000000
1 0.00000000 0.00
2000.0000 -1635116.3 1244.0289 -198.29589 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
1.00000 1
2
1 2 0 0 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
2
1 2 0 1 72366.523 -62.308221 0.00000000 0.00000000
0.00000000 0.00000000
0
TiO2_Rutile(s)
4 2 0.0 0.0 1.0 2.0
2130.0000 -976986.65 484.74038 -77.837621 0.00000000
0.00000000 1683920.5
1 -67156779. -2.00
3000.0000 -1023541.9 679.99942 -100.41600 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
TiO2_Anatase(s2)
1 2 0.0 0.0 1.0 2.0
2100.0000 -961316.13 462.55957 -75.035856 0.00000000
0.00000000 881359.60
3000.0000 -1013775.0 681.89016 -100.41600 0.00000000
0.00000000 0.00000000
Ti2O3_Solid-A(s)
4 3 0.0 0.0 2.0 3.0
470.00000 -1171154.5 6399.4155 -730.23381 0.00000000
0.00000000 -9404192.7
1 -58419.463 0.50
2115.0000 -1548686.1 1157.7552 -169.96111 0.00000000
0.00000000 -804824.47
2 -3000.8748 0.50 0.26092017E+09 -2.00
2500.0000 -1590651.8 1012.1865 -156.90000 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
Ti2O3_Solid-B(s2)
4 2 0.0 0.0 2.0 3.0
2115.0000 -1547548.0 1155.3336 -169.96111 0.00000000
0.00000000 -804824.47
2 -3000.8748 0.50 0.26092017E+09 -2.00
2500.0000 -1589513.7 1009.7649 -156.90000 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
V2O5_solid(s)
4 3 0.0 2.0 0.0 5.0
943.00000 -1399506.3 -366.83510 -25.972499 -.24409615E-01
0.00000000 -377081.33
2 -76767.609 99.00 23415.211 0.50
1500.0000 -1602354.8 924.57294 -154.61390 -.14560662E-01
0.00000000 0.00000000
1 0.00000000 0.00
1500.0000 -1635116.3 1244.0289 -198.29589 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
FeO_Wustite(s)
4 2 1.0 0.0 0.0 1.0
1644.1500 -322147.54 -330.68744 18.024474 -.15304030E-01
0.00000000 1266650.0
1 6003.6000 0.50
2000.0000 -299283.75 417.25847 -68.199200 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
Fe2O3_High-Pressure-(s2)
4 3 2.0 0.0 0.0 3.0
955.65000 -809611.09 921.40360 -146.85840 -.27403951E-02
0.68901917E-05 2788391.0
2 -.64965188E-08 4.00 -87604648. -2.00
1873.0000 -802880.00 912.36394 -146.85840 0.00000000
0.00000000 2788391.0
1 -87604648. -2.00
1873.0000 -797149.83 898.71021 -145.34872 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
Fe2O3_High-Pressure-(s3)
4 2 2.0 0.0 0.0 3.0
1873.0000 -801591.45 911.01625 -146.85840 0.00000000
0.00000000 2788391.0
1 -87604648. -2.00
1873.0000 -795861.28 897.36252 -145.34872 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
Fe3O4_High-Pressure-(s3)
4 3 3.0 0.0 0.0 4.0
848.15000 -1030731.2 1253.5986 -207.93083 -.19017282E-01
0.39679039E-04 3621668.3
2 -.31045961E-07 4.00 -.11072606E+09 -2.00
1870.0000 -1017272.5 1231.2025 -207.93083 0.00000000
0.00000000 3621668.5
1 -.11072606E+09 -2.00
1870.0000 -1009810.6 1213.3913 -205.96107 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
Fe3O4_High-Pressure-(s4)
4 2 3.0 0.0 0.0 4.0
1870.0000 -1015705.4 1229.3561 -207.93083 0.00000000
0.00000000 3621668.5
1 -.11072606E+09 -2.00
2500.0000 -1022124.3 1274.8900 -213.38400 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
Fe2O5Ti_Ferric_Pseudo(s)
1 2 2.0 0.0 1.0 5.0
2000.0000 -1813164.7 1143.5787 -192.58952 -.11003920E-01
0.00000000 1550172.0
2000.0000 -1854080.0 1471.0836 -235.83011 0.00000000
0.00000000 0.00000000
FeVO4_S1(s)
1 2 1.0 1.0 0.0 4.0
1173.0000 -1231676.4 758.41944 -129.50000 -.12355000E-01
0.00000000 1080000.0
1173.0000 -1244993.1 949.81511 -156.91498 0.00000000
0.00000000 0.00000000
Fe(VO3)2_solid(s)
4 2 1.0 2.0 0.0 6.0
1023.0000 -1935391.4 1954.7262 -292.60000 0.00000000
0.00000000 241250.00
1 -6236.0000 0.50
1023.0000 -1984311.8 1466.8016 -243.39640 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
Fe2V4O13_S1(s)
1 2 2.0 4.0 0.0 13.0
973.00000 -4078148.6 2279.0804 -388.83000 -.36915000E-01
0.00000000 3153000.0
973.00005 -4100135.1 2717.5234 -454.00576 0.00000000
0.00000000 0.00000000
Ti_Solid_Alpha(s) #
4 3 0.0 0.0 1.0 0.0
1166.0000 43628.182 1489.1110 -189.79883 0.69176580E-01
-.99988361E-05 -889634.97
1 -10265.775 0.50
1939.0000 -4199.4763 115.89854 -22.191346 -.30247896E-02
0.00000000 0.00000000
1 0.00000000 0.00
1940.0000 -15724.092 205.36772 -34.000000 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
V_solid(s) #
4 4 0.0 1.0 0.0 0.0
1200.0000 27879.953 -285.43955 20.084339 -.85062593E-02
0.00000000 -178565.51
2 -15884.337 99.00 6158.3381 0.50
2190.0000 8639339.4 -17260.592 1594.3239 -.68362478E-01
0.00000000 -.18226167E+09
2 -2297394.7 99.00 432790.17 0.50
2700.0000 -5429940.5 5213.1162 -462.27939 0.00000000
0.00000000 0.18587632E+09
2 1236756.4 99.00 -169479.30 0.50
2701.0000 -37187.238 311.37146 -46.204000 0.00000000
0.00000000 0.00000000
1 0.00000000 0.00
Fe_bcc(s) #
13 2 1.0 0.0 0.0 0.0
1811.0000 1225.7000 124.13400 -23.514300 -.43975200E-02
-.58926900E-07 77358.500
1812.0000 -24287.831 298.76801 -46.000000 0.00000000
0.00000000 0.00000000
1043.00 2.22000 1.00000 0.400000
Fe(s) #
1 1 1.0 0.0 0.0 0.0
6001.0000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
Ti(s) #
1 1 0.0 0.0 1.0 0.0
6001.0000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
V(s) #
1 1 0.0 1.0 0.0 0.0
6001.0000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
O2(s) #
1 1 0.0 0.0 0.0 2.0
6001.0000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000