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scrape(update): Retrieved 2023-08-31.

main v3.36
Sofus Albert Høgsbro Rose 2023-08-31 20:30:18 +02:00
commit 6ec52ad1b4
Signed by: so-rose
GPG Key ID: AD901CB0F3701434
1926 changed files with 138390 additions and 0 deletions
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6
data/B2.lat 100644
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data/L11.lat 100644
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1 1 4.89898 90 90 120
0.666667 0.333333 0.333333
-0.333333 0.333333 0.333333
-0.333333 -0.666667 0.333333
0 0 0 A
0 0 0.5 B

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data/atomz.in 100644
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H 1
He 2
Li 3
Be 4
B 5
C 6
N 7
O 8
F 9
Ne 10
Na 11
Mg 12
Al 13
Si 14
P 15
S 16
Cl 17
Ar 18
K 19
Ca 20
Sc 21
Ti 22
V 23
Cr 24
Mn 25
Fe 26
Co 27
Ni 28
Cu 29
Zn 30
Ga 31
Ge 32
As 33
Se 34
Br 35
Kr 36
Rb 37
Sr 38
Y 39
Zr 40
Nb 41
Mo 42
Tc 43
Ru 44
Rh 45
Pd 46
Ag 47
Cd 48
In 49
Sn 50
Sb 51
Te 52
I 53
Xe 54
Cs 55
Ba 56
La 57
Ce 58
Pr 59
Nd 60
Pm 61
Sm 62
Eu 63
Gd 64
Tb 65
Dy 66
Ho 67
Er 68
Tm 69
Yb 70
Lu 71
Hf 72
Ta 73
W 74
Re 75
Os 76
Ir 77
Pt 78
Au 79
Hg 80
Tl 81
Pb 82
Bi 83
Po 84
At 85
Rn 86
Fr 87
Ra 88
Ac 89
Th 90
Pa 91
U 92
Np 93
Pu 94
Am 95
Cm 96
Bk 97
Cf 98
Es 99
Fm 100
Md 101
No 102
Lr 103
Rf 104
Db 105
Sg 106
Bh 107
Hs 108
Mt 109
Uun 110
Uuu 111
Uub 112
Uuq 114
Uuh 116
Uuo 118

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0.5 0.5 0.5
0.5 -0.5 0.5
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0.5 0.5 0 B
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0.5 0.5 0.5
0.5 -0.5 0.5
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0.25 0.5 0 B
0.5 0 0.25 B
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0 0.5 0.25 B
0 0.25 0.5 B

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0.25 0.25 0.25 A

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data/elements.in 100644
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Ac
Ag
Al
Am
As
Au
B
Ba
Be
Bi
Br
C
Ca
Cd
Ce
Cl
Co
Cr
Cs
Cu
Dy
Er
Eu
F
Fe
Ga
Gd
Ge
H
Hf
Hg
Ho
I
In
Ir
K
La
Li
Lu
Mg
Mn
Mo
N
Na
Nb
Nd
Ni
Np
O
Os
P
Pa
Pb
Pd
Pm
Po
Pr
Pt
Pu
Ra
Rb
Re
Rh
Ru
S
Sb
Sc
Se
Si
Sm
Sn
Sr
Ta
Tb
Tc
Te
Th
Ti
Tl
Tm
U
V
W
Y
Yb
Zn
Zr

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0.5 0.5 0.5 B

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data/fcc-octtet.lat 100644
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1 1 1 90 90 90
0 0.5 0.5
0.5 0 0.5
0.5 0.5 0
0 0 0 A
0.5 0.5 0.5 B
0.25 0.25 0.25 C
-0.25 0.25 0.25 C

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data/fcc-tet.lat 100644
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-0.25 0.25 0.25 B

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data/hcp-oct.lat 100644
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2.940004 0.000000 0.000000
-1.470002 2.546118 0.000000
0.000000 0.000000 4.800997
1.000000 0.000000 0.000000
-0.000000 1.000000 0.000000
0.000000 0.000000 1.000000
0.000000 0.000000 0.000000 A
0.666667 0.333333 0.500000 A
0.333333 0.666667 0.250000 B
0.333333 0.666667 0.750000 B

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data/hcp-tet.lat 100644
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1 1 1.63299 90 90 120
1 0 0
0 1 0
0 0 1
0 0 0 A
0.6666666 0.3333333 0.5 A
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0 0 0.625 B
0.6666666 0.3333333 0.125 B
0.6666666 0.3333333 0.875 B

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data/hcp.lat 100644
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1 1 1.63299 90 90 120
1 0 0
0 1 0
0 0 1
0 0 0 A
0.6666666 0.3333333 0.5 A

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data/masses.in 100644
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Ag 107.8682
Al 26.981538
Ar 39.948
As 74.92160
Au 196.96655
B 10.811
Ba 137.327
Be 9.012182
Bi 208.98038
Br 79.904
C 12.0107
Ca 40.078
Cd 112.411
Ce 140.116
Cl 35.453
Co 58.933200
Cr 51.9961
Cs 132.90545
Cu 63.546
Dy 162.500
Er 167.259
Eu 151.964
F 18.9984032
Fe 55.845
Ga 69.723
Gd 157.25
Ge 72.64
H 1.00794
He 4.002602
Hf 178.49
Hg 200.59
Ho 164.93032
I 126.90447
In 114.818
Ir 192.217
K 39.0983
Kr 83.798
La 138.9055
Li 6.941
Lu 174.967
Mg 24.3050
Mn 54.938049
Mo 95.94
N 14.0067
Na 22.989770
Nb 92.90638
Nd 144.24
Ne 20.1797
Ni 58.6934
O 15.9994
Os 190.23
P 30.973761
Pa 231.03588
Pb 207.2
Pd 106.42
Pr 140.90765
Pt 195.078
Rb 85.4678
Re 186.207
Rh 102.90550
Ru 101.07
S 32.065
Sb 121.760
Sc 44.955910
Se 78.96
Si 28.0855
Sm 150.36
Sn 118.710
Sr 87.62
Ta 180.9479
Tb 158.92534
Te 127.60
Th 232.0381
Ti 47.867
Tl 204.3833
Tm 168.93421
U 238.02891
V 50.9415
W 183.84
Xe 131.293
Y 88.90585
Yb 173.04
Zn 65.409
Zr 91.224
Vac 0

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data/radii.in 100644
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Ac 2.0475
Ag 1.68
Al 1.3125
Am 1.8375
As 1.2075
Au 1.4175
B 0.8925
Ba 2.2575
Be 1.1025
Bi 1.68
Br 1.2075
C 0.735
Ca 1.89
Cd 1.6275
Ce 1.9425
Cl 1.05
Co 1.4175
Cr 1.47
Cs 2.73
Cu 1.4175
Dy 1.8375
Er 1.8375
Eu 1.9425
F 0.525
Fe 1.47
Ga 1.365
Gd 1.89
Ge 1.3125
H 0.2625
Hf 1.6275
Hg 1.575
Ho 1.8375
I 1.47
In 1.6275
Ir 1.4175
K 2.31
La 2.0475
Li 1.5225
Lu 1.8375
Mg 1.575
Mn 1.47
Mo 1.5225
N 0.6825
Na 1.89
Nb 1.5225
Nd 1.9425
Ni 1.4175
Np 1.8375
O 0.63
Os 1.365
P 1.05
Pa 1.89
Pb 1.89
Pd 1.47
Pm 1.9425
Po 1.995
Pr 1.9425
Pt 1.4175
Pu 1.8375
Ra 2.2575
Rb 2.4675
Re 1.4175
Rh 1.4175
Ru 1.365
S 1.05
Sb 1.5225
Sc 1.68
Se 1.2075
Si 1.155
Sm 1.9425
Sn 1.5225
Sr 2.1
Ta 1.5225
Tb 1.8375
Tc 1.4175
Te 1.47
Th 1.89
Ti 1.47
Tl 1.995
Tm 1.8375
U 1.8375
V 1.4175
W 1.4175
Y 1.89
Yb 1.8375
Zn 1.4175
Zr 1.6275
Vac 0.0

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data/refs.txt 100644
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The atomic radii were taken from
J.C. Slater, J. Chem. Phys. 1964, 39, 3199.
and multiplied by 1.05 (for additional insurance that the atoms are not too close).

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data/rocksalt.lat 100644
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1 1 1 90 90 90
0 0.5 0.5
0.5 0 0.5
0.5 0.5 0
0 0 0 A
0.5 0.5 0.5 B

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data/sc.lat 100644
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data/sgte_elements.tdb 100644
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ELEMENT ELEM_AG FCC_A1 0.107868 5745. 42.55 !
ELEMENT ELEM_AL FCC_A1 0.0269815 4540. 28.30 !
ELEMENT ELEM_AM DHCP 0.243 6407.00 55.3960 !
ELEMENT ELEM_AS RHOMBOHEDRAL_A7 0.074922 5117.032 35.6895 !
ELEMENT ELEM_AU FCC_A1 0.196966 6016.592 47.4884 !
ELEMENT ELEM_B BETA_RHOMBO_B 0.01081 1222.0 5.9 !
ELEMENT ELEM_BA BCC_A2 0.13733 6910.0 62.50 !
ELEMENT ELEM_BE HCP_A3 0.00901218 1950.0 9.50 !
ELEMENT ELEM_BI RHOMBOHEDRAL_A7 0.20898 6426.624 56.735 !
ELEMENT ELEM_C GRAPHITE 0.012011 1054.0 5.7423 !
ELEMENT ELEM_CA FCC_A1 0.04008 5736.0 41.588 !
ELEMENT ELEM_CD HCP_A3 0.11241 6247. 51.80 !
ELEMENT ELEM_CE FCC_A1 0.14012 7280.16 69.4544 !
ELEMENT ELEM_CO HCP_A3 0.0589332 4765.567 30.0400 !
ELEMENT ELEM_CR BCC_A2 0.051996 4050.0 23.5429 !
ELEMENT ELEM_CS BCC_A2 0.132905 7711.000 85.23 !
ELEMENT ELEM_CU FCC_A1 0.063546 5004. 33.15 !
ELEMENT ELEM_DY HCP_A3 0.1625 8865.896 75.5630 !
ELEMENT ELEM_ER HCP_A3 0.16726 7392.2912 73.17816 !
ELEMENT ELEM_EU BCC_A2 0.15196 8004.0 80.79304 !
ELEMENT ELEM_FE BCC_A2 0.055847 4489.0 27.2797 !
ELEMENT ELEM_GA ORTHORHOMBIC_GA 0.06972 5572.0 40.727 !
ELEMENT ELEM_GD HCP_A3 0.15725 9087.648 67.9482 !
ELEMENT ELEM_GE DIAMOND_A4 0.07259 4636. 31.09 !
ELEMENT ELEM_HF HCP_A3 0.17849 5845.0 43.56 !
ELEMENT ELEM_HG LIQUID 0.20059 9342. 75.90 !
ELEMENT ELEM_HO HCP_A3 0.16493 7995.624 75.0191 !
ELEMENT ELEM_IN TETRAGONAL_A6 0.11482 6610.0 57.65 !
ELEMENT ELEM_IR FCC_A1 0.19222 5267.656 35.5054 !
ELEMENT ELEM_K BCC_A2 0.0390983 7088. 64.68 !
ELEMENT ELEM_LA DHCP 0.138905 6665.112 56.9024 !
ELEMENT ELEM_LI BCC_A2 0.006941 4632.00 29.12 !
ELEMENT ELEM_LU HCP_A3 0.174967 6388.968 50.9611 !
ELEMENT ELEM_MG HCP_A3 0.024305 4998.0 32.671 !
ELEMENT ELEM_MN CBCC_A12 0.054938 4995.696 32.2206 !
ELEMENT ELEM_MO BCC_A2 0.09594 4589.0 28.56 !
ELEMENT ELEM_NA BCC_A2 0.0229898 6460. 51.3000 !
ELEMENT ELEM_NB BCC_A2 0.0929064 5220.0 36.27 !
ELEMENT ELEM_ND DHCP 0.14424 7133.72 7 !
ELEMENT ELEM_NI FCC_A1 0.05869 4787.0 29.7955 !
ELEMENT ELEM_NP ORTHO_AC 0.237048 6606.536 50.4590 !
ELEMENT ELEM_OS HCP_A3 0.1902 32.6352 3306.00 !
ELEMENT ELEM_P WHITE_P 0.0309738 5360.0 41.09 !
ELEMENT ELEM_PA BCT_AA 0.231036 6439.176 51.882 !
ELEMENT ELEM_PB FCC_A1 0.2072 6870. 64.80 !
ELEMENT ELEM_PD FCC_A1 0.10642 5468.488 37.8234 !
ELEMENT ELEM_PR DHCP 0.140908 7418.232 73.9313 !
ELEMENT ELEM_PT FCC_A1 0.19508 5723.712 41.6308 !
ELEMENT ELEM_PU ALPHA_PU 0.244 6902.0 54.4610 !
ELEMENT ELEM_RB BCC_A2 0.0854678 7489. 76.78 !
ELEMENT ELEM_RE HCP_A3 0.186207 5355.52 36.5263 !
ELEMENT ELEM_RH FCC_A1 0.102905 4920.384 31.5556 !
ELEMENT ELEM_RU HCP_A3 0.10107 4602.4 28.6144 !
ELEMENT ELEM_S ORTHORHOMBIC_S 0.03206 4412.0 32.054 !
ELEMENT ELEM_SB RHOMBOHEDRAL_A7 0.12175 5870.152 45.5219 !
ELEMENT ELEM_SC HCP_A3 0.0449559 5217.448 34.6435 !
ELEMENT ELEM_SE HEXAGONAL_A8 0.07896 5514.512 41.9655 !
ELEMENT ELEM_SI DIAMOND_A4 0.0280855 3217. 18.81 !
ELEMENT ELEM_SM RHOMB_C19 0.15036 7573.04 69.4962 !
ELEMENT ELEM_SN BCT_A5 0.11869 6323. 51.18 !
ELEMENT ELEM_SR FCC_A1 0.08762 6568. 55.694 !
ELEMENT ELEM_TA BCC_A2 0.180948 5681.872 41.4718 !
ELEMENT ELEM_TB HCP_A3 0.158925 9426.552 73.3037 !
ELEMENT ELEM_TC HCP_A3 0.098 32.9856 2430.01 !
ELEMENT ELEM_TE HEXAGONAL_A8 0.1276 6121.192 49.4967 !
ELEMENT ELEM_TH FCC_A1 0.232038 6350. 51.8 !
ELEMENT ELEM_TI HCP_A3 0.04788 4824. 30.72 !
ELEMENT ELEM_TL HCP_A3 0.204383 6831.97 64.2997 !
ELEMENT ELEM_TM HCP_A3 0.168934 7397.312 74.01496 !
ELEMENT ELEM_U ORTHORHOMBIC_A20 0.238029 6364. 50.20 !
ELEMENT ELEM_V BCC_A2 0.0509415 4507.0 30.89 !
ELEMENT ELEM_W BCC_A2 0.18385 4970.0 32.6176 !
ELEMENT ELEM_Y HCP_A3 0.0889059 5966.384 44.4341 !
ELEMENT ELEM_YB FCC_A1 0.17304 6711.136 59.8312 !
ELEMENT ELEM_ZN HCP_ZN 0.06538 5657. 41.63 !
ELEMENT ELEM_ZR HCP_A3 0.09122 5566.27 39.1809 !

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data/sgte_freee.tdb 100644
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FUNCTION SGTE_FCC_A1_ELEM_AG 298.15<NL> -7209.512+118.202013*T-23.8463314*T*LN(T)-1.790585E-3*T**2-0.398587E-6*T**3<NL> -12011*T**(-1); 1234.93 Y<NL> -15095.252+190.266404*T-33.472*T*LN(T)+1411.773E26*T**(-9); 3000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_AG 298.15<NL> -6909.512+118.502013*T-23.8463314*T*LN(T)-1.790585E-3*T**2-0.398587E-6*T**3<NL> -12011*T**(-1); 1234.93 Y<NL> -14795.252+190.566404*T-33.472*T*LN(T)+1411.773E26*T**(-9); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_AG 298.15<NL> -3809.512+117.152013*T-23.8463314*T*LN(T)-1.790585E-3*T**2-0.398587E-6*T**3<NL> -12011*T**(-1); 1234.93 Y<NL> -11695.252+189.216404*T-33.472*T*LN(T)+1411.773E26*T**(-9); 3000.00 N !
FUNCTION SGTE_LIQUID_ELEM_AG 298.15<NL> 3815.564+109.310993*T-23.8463314*T*LN(T)-1.790585E-3*T**2-0.398587E-6*T**3<NL> -12011*T**(-1)-1033.905E-23*T**7; 1234.93 Y<NL> -3587.111+180.964656*T-33.472*T*LN(T); 3000.00 N !
PARAMETER G(CUB_A13,ELEM_AG;0) 298.15<NL> -3809.512+117.152013*T-23.8463314*T*LN(T)-1.790585E-3*T**2-0.398587E-6*T**3<NL> -12011*T**(-1); 1234.93 Y<NL> -11695.252+189.216404*T-33.472*T*LN(T)+1411.773E26*T**(-9); 3000.00 N !
FUNCTION SGTE_BCT_A5_ELEM_AG 298.15<NL> -3025.412+118.202013*T-23.8463314*T*LN(T)-1.790585E-3*T**2-0.398587E-6*T**3<NL> -12011*T**(-1); 1234.93 Y<NL> -10911.152+190.266404*T-33.472*T*LN(T)+1411.773E26*T**(-9); 3000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_AL 298.15<NL> -7976.15+137.093038*T-24.3671976*T*LN(T)-1.884662E-3*T**2-0.877664E-6*T**3<NL> +74092*T**(-1); 700.00 Y<NL> -11276.24+223.048446*T-38.5844296*T*LN(T)+18.531982E-3*T**2-5.764227E-6*T**3<NL> +74092*T**(-1); 933.47 Y<NL> -11278.378+188.684153*T-31.748192*T*LN(T)-1230.524E25*T**(-9); 2900.00 N !
FUNCTION SGTE_HCP_A3_ELEM_AL 298.15<NL> -2495.15+135.293038*T-24.3671976*T*LN(T)-1.884662E-3*T**2-0.877664E-6*T**3<NL> +74092*T**(-1); 700.00 Y<NL> -5795.24+221.248446*T-38.5844296*T*LN(T)+18.531982E-3*T**2-5.764227E-6*T**3<NL> +74092*T**(-1); 933.47 Y<NL> -5797.378+186.884153*T-31.748192*T*LN(T)-1230.524E25*T**(-9); 2900.00 N !
FUNCTION SGTE_HCP_ZN_ELEM_AL 298.15<NL> -2495.15+135.293038*T-24.3671976*T*LN(T)-1.884662E-3*T**2-0.877664E-6*T**3<NL> +74092*T**(-1); 700.00 Y<NL> -5795.24+221.248446*T-38.5844296*T*LN(T)+18.531982E-3*T**2-5.764227E-6*T**3<NL> +74092*T**(-1); 933.47 Y<NL> -5797.378+186.884153*T-31.748192*T*LN(T)-1230.524E25*T**(-9); 2900.00 N !
FUNCTION SGTE_CBCC_A12_ELEM_AL 298.15<NL> 2107.25+132.280038*T-24.3671976*T*LN(T)-1.884662E-3*T**2-0.877664E-6*T**3<NL> +74092*T**(-1); 700.00 Y<NL> -1192.84+218.235446*T-38.5844296*T*LN(T)+18.531982E-3*T**2-5.764227E-6*T**3<NL> +74092*T**(-1); 933.47 Y<NL> -1194.978+183.871153*T-31.748192*T*LN(T)-1230.524E25*T**(-9); 2900.00 N !
FUNCTION SGTE_BCC_A2_ELEM_AL 298.15<NL> 2106.85+132.280038*T-24.3671976*T*LN(T)-1.884662E-3*T**2-0.877664E-6*T**3<NL> +74092*T**(-1); 700.00 Y<NL> -1193.24+218.235446*T-38.5844296*T*LN(T)+18.531982E-3*T**2-5.764227E-6*T**3<NL> +74092*T**(-1); 933.47 Y<NL> -1195.378+183.871153*T-31.748192*T*LN(T)-1230.524E25*T**(-9); 2900.00 N !
FUNCTION SGTE_CUB_A13_ELEM_AL 298.15<NL> 2944.29+132.281438*T-24.3671976*T*LN(T)-1.884662E-3*T**2-0.877664E-6*T**3<NL> +74092*T**(-1); 700.00 Y<NL> -355.8+218.236846*T-38.5844296*T*LN(T)+18.531982E-3*T**2-5.764227E-6*T**3<NL> +74092*T**(-1); 933.47 Y<NL> -357.938+183.872553*T-31.748192*T*LN(T)-1230.524E25*T**(-9); 2900.00 N !
FUNCTION SGTE_LIQUID_ELEM_AL 298.15<NL> 3028.879+125.251171*T-24.3671976*T*LN(T)-1.884662E-3*T**2-0.877664E-6*T**3<NL> +74092*T**(-1)+79.337E-21*T**7; 700.00 Y<NL> -271.21+211.206579*T-38.5844296*T*LN(T)+18.531982E-3*T**2-5.764227E-6*T**3<NL> +74092*T**(-1)+79.337E-21*T**7; 933.47 Y<NL> -795.996+177.430178*T-31.748192*T*LN(T); 2900.00 N !
FUNCTION SGTE_BCT_A5_ELEM_AL 298.15<NL> 2106.85+132.280038*T-24.3671976*T*LN(T)-1.884662E-3*T**2-0.877664E-6*T**3<NL> +74092*T**(-1); 700.00 Y<NL> -1193.24+218.235446*T-38.5844296*T*LN(T)+18.531982E-3*T**2-5.764227E-6*T**3<NL> +74092*T**(-1); 933.47 Y<NL> -1195.378+183.871153*T-31.748192*T*LN(T)-1230.524E25*T**(-9); 2900.00 N !
FUNCTION SGTE_DIAMOND_A4_ELEM_AL 298.15<NL> -7976.15+167.093038*T-24.3671976*T*LN(T)-1.884662E-3*T**2-0.877664E-6*T**3<NL> +74092*T**(-1); 700.00 Y<NL> -11276.24+253.048446*T-38.5844296*T*LN(T)+18.531982E-3*T**2-5.764227E-6*T**3<NL> +74092*T**(-1); 933.47 Y<NL> -11278.378+218.684153*T-31.748192*T*LN(T)-1230.524E25*T**(-9); 2900.00 N !
FUNCTION SGTE_DHCP_ELEM_AM 298.15<NL> -6639.201+89.645685*T-21.1868*T*LN(T)-5.59955E-3*T**2-0.541038E-6*T**3<NL> -30424*T**(-1); 1329.00 Y<NL> -21702.938+241.107269*T-41.84*T*LN(T); 3000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_AM 298.15<NL> -5224.899+99.204329*T-23.1377*T*LN(T)-2.94694E-3*T**2-0.664773E-6*T**3<NL> -18507*T**(-1); 1018.00 Y<NL> -2935.853+73.800069*T-19.4406*T*LN(T)-5.418E-3*T**2-0.375233E-6*T**3<NL> -260435*T**(-1); 1548.70 Y<NL> -22179.593+241.353807*T-41.84*T*LN(T); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_AM 298.15<NL> -665.396+85.114354*T-21.1868*T*LN(T)-5.5995E-3*T**2-0.541033E-6*T**3<NL> -30424*T**(-1); 999.00 Y<NL> -7800.332+63.93115*T-15.8832*T*LN(T)-19.0671E-3*T**2+2.291117E-6*T**3<NL> +2287195*T**(-1); 1339.00 Y<NL> -13153.887+219.600832*T-39.748*T*LN(T); 1449.00 Y<NL> 70352.138-326.394464*T+33.413*T*LN(T)-27.36485E-3*T**2+1.801717E-6*T**3<NL> -17379450*T**(-1); 2183.60 Y<NL> -16925.244+237.367028*T-41.84*T*LN(T); 3000.00 N !
FUNCTION SGTE_LIQUID_ELEM_AM 298.15<NL> 13271.499+75.525185*T-21.1868*T*LN(T)-5.59955E-3*T**2-0.541038E-6*T**3<NL> -30424*T**(-1); 1329.00 Y<NL> -1792.238+226.986769*T-41.84*T*LN(T); 3000.00 N !
FUNCTION SGTE_RHOMBOHEDRAL_A7_ELEM_AS 298.15<NL> -7270.447+122.211069*T-23.3144*T*LN(T)-2.71613E-3*T**2+11600*T**(-1); 1090.00 Y<NL> -10454.913+163.457433*T-29.216037*T*LN(T); 1200.00 N !
FUNCTION SGTE_LIQUID_ELEM_AS 298.15<NL> 17172.453+99.78639*T-23.3144*T*LN(T)-2.71613E-3*T**2+11600*T**(-1); 1090.00 Y<NL> 13987.987+141.032754*T-29.216037*T*LN(T); 1200.00 N !
FUNCTION SGTE_FCC_A1_ELEM_AS 298.15<NL> 17603.553+107.471069*T-23.3144*T*LN(T)-2.71613E-3*T**2+11600*T**(-1); 1090.00 Y<NL> 14419.087+148.717433*T-29.216037*T*LN(T); 1200.00 N !
FUNCTION SGTE_BCC_A2_ELEM_AS 298.15<NL> 17603.553+106.111069*T-23.3144*T*LN(T)-2.71613E-3*T**2+11600*T**(-1); 1090.00 Y<NL> 14419.087+147.357433*T-29.216037*T*LN(T); 1200.00 N !
FUNCTION SGTE_HCP_A3_ELEM_AS 298.15<NL> 17603.553+108.211069*T-23.3144*T*LN(T)-2.71613E-3*T**2+11600*T**(-1); 1090.00 Y<NL> 14419.087+149.457433*T-29.216037*T*LN(T); 1200.00 N !
FUNCTION SGTE_RED_P_ELEM_AS 298.15 <NL> -1488.447+118.356409*T-23.3144*T*LN(T)-2.71613E-3*T**2+11600*T**(-1); 1090.00 Y<NL> -4672.913+159.602773*T-29.216037*T*LN(T); 1200.00 N !
FUNCTION SGTE_FCC_A1_ELEM_AU 298.15<NL> -6938.856+106.830098*T-22.75455*T*LN(T)-3.85924E-3*T**2+0.379625E-6*T**3<NL> -25097*T**(-1); 929.40 Y<NL> -93586.481+1021.69543*T-155.7067449*T*LN(T)+87.56015E-3*T**2<NL> -11.518713E-6*T**3+10637210*T**(-1); 1337.33 Y<NL> 314067.829-2016.378254*T+263.2522592*T*LN(T)-118.216828E-3*T**2<NL> +8.923844E-6*T**3-67999832*T**(-1); 1735.80 Y<NL> -12133.783+165.272524*T-30.9616*T*LN(T); 3200.00 N !
FUNCTION SGTE_HCP_A3_ELEM_AU 298.15<NL> -6698.106+108.430098*T-22.75455*T*LN(T)-3.85924E-3*T**2+0.379625E-6*T**3<NL> -25097*T**(-1); 929.40 Y<NL> -93345.731+1023.29543*T-155.7067449*T*LN(T)+87.56015E-3*T**2<NL> -11.518713E-6*T**3+10637210*T**(-1); 1337.33 Y<NL> 314308.579-2014.778254*T+263.2522592*T*LN(T)-118.216828E-3*T**2<NL> +8.923844E-6*T**3-67999832*T**(-1); 1735.80 Y<NL> -11893.033+166.872524*T-30.9616*T*LN(T); 3200.00 N !
FUNCTION SGTE_BCC_A2_ELEM_AU 298.15<NL> -2688.856+105.730098*T-22.75455*T*LN(T)-3.85924E-3*T**2+0.379625E-6*T**3<NL> -25097*T**(-1); 929.40 Y<NL> -89336.481+1020.59543*T-155.7067449*T*LN(T)+87.56015E-3*T**2<NL> -11.518713E-6*T**3+10637210*T**(-1); 1337.33 Y<NL> 318317.829-2017.478254*T+263.2522592*T*LN(T)-118.216828E-3*T**2<NL> +8.923844E-6*T**3-67999832*T**(-1); 1735.80 Y<NL> -7883.783+164.172524*T-30.9616*T*LN(T); 3200.00 N !
FUNCTION SGTE_LIQUID_ELEM_AU 298.15<NL> 5613.144+97.444232*T-22.75455*T*LN(T)-3.85924E-3*T**2+0.379625E-6*T**3<NL> -25097*T**(-1); 929.40 Y<NL> -81034.481+1012.309564*T-155.7067449*T*LN(T)+87.56015E-3*T**2<NL> -11.518713E-6*T**3+10637210*T**(-1); 1337.33 Y<NL> 326619.829-2025.76412*T+263.2522592*T*LN(T)-118.216828E-3*T**2<NL> +8.923844E-6*T**3-67999832*T**(-1); 1735.80 Y<NL> 418.217+155.886658*T-30.9616*T*LN(T); 3200.00 N !
FUNCTION SGTE_BETA_RHOMBO_B_ELEM_B 298.15<NL> -7735.284+107.111864*T-15.6641*T*LN(T)-6.864515E-3*T**2+0.618878E-6*T**3<NL> +370843*T**(-1); 1100.00 Y<NL> -16649.474+184.801744*T-26.6047*T*LN(T)-0.79809E-3*T**2-0.02556E-6*T**3<NL> +1748270*T**(-1); 2348.00 Y<NL> -36667.582+231.336244*T-31.5957527*T*LN(T)-1.59488E-3*T**2+0.134719E-6*T**3<NL> +11205883*T**(-1); 3000.00 Y<NL> -21530.653+222.396264*T-31.4*T*LN(T); 6000.00 N !
FUNCTION SGTE_LIQUID_ELEM_B 298.15<NL> 40723.275+86.843839*T-15.6641*T*LN(T)-6.864515E-3*T**2+0.618878E-6*T**3<NL> +370843*T**(-1); 500.00 Y<NL> 41119.703+82.101722*T-14.9827763*T*LN(T)-7.095669E-3*T**2+0.507347E-6*T**3<NL> +335484*T**(-1); 2348.00 Y<NL> 28842.012+200.94731*T-31.4*T*LN(T); 6000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_B 298.15<NL> 35778.716+94.894864*T-15.6641*T*LN(T)-6.864515E-3*T**2+0.618878E-6*T**3<NL> +370843*T**(-1); 1100.00 Y<NL> 26864.526+172.584744*T-26.6047*T*LN(T)-0.79809E-3*T**2-0.02556E-6*T**3<NL> +1748270*T**(-1); 2348.00 Y<NL> 6846.418+219.119244*T-31.5957527*T*LN(T)-1.59488E-3*T**2+0.134719E-6*T**3<NL> +11205883*T**(-1); 3000.00 Y<NL> 21983.347+210.179264*T-31.4*T*LN(T); 6000.00 N !
FUNCTION SGTE_DIAMOND_A4_ELEM_B 298.15<NL> -7725.284+107.111864*T-15.6641*T*LN(T)-6.864515E-3*T**2+0.618878E-6*T**3<NL> +370843*T**(-1); 1100.00 Y<NL> -16639.474+184.801744*T-26.6047*T*LN(T)-0.79809E-3*T**2-0.02556E-6*T**3<NL> +1748270*T**(-1); 2348.00 Y<NL> -36657.582+231.336244*T-31.5957527*T*LN(T)-1.59488E-3*T**2+0.134719E-6*T**3<NL> +11205883*T**(-1); 3000.00 Y<NL> -21520.653+222.396264*T-31.4*T*LN(T); 6000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_B 298.15<NL> 42472.716+97.405864*T-15.6641*T*LN(T)-6.864515E-3*T**2+0.618878E-6*T**3<NL> +370843*T**(-1); 1100.00 Y<NL> 33558.526+175.095744*T-26.6047*T*LN(T)-0.79809E-3*T**2-0.02556E-6*T**3<NL> +1748270*T**(-1); 2348.00 Y<NL> 13540.418+221.630244*T-31.5957527*T*LN(T)-1.59488E-3*T**2+0.134719E-6*T**3<NL> +11205883*T**(-1); 3000.00 Y<NL> 28677.347+212.690264*T-31.4*T*LN(T); 6000.00 N !
FUNCTION SGTE_GRAPHITE_ELEM_B 298.15<NL> 2264.716+105.111864*T-15.6641*T*LN(T)-6.864515E-3*T**2+0.618878E-6*T**3<NL> +370843*T**(-1); 1100.00 Y<NL> -6649.474+182.801744*T-26.6047*T*LN(T)-0.79809E-3*T**2-0.02556E-6*T**3<NL> +1748270*T**(-1); 2348.00 Y<NL> -26667.582+229.336244*T-31.5957527*T*LN(T)-1.59488E-3*T**2+0.134719E-6*T**3<NL> +11205883*T**(-1); 3000.00 Y<NL> -11530.653+220.396264*T-31.4*T*LN(T); 6000.00 N !
PARAMETER G(BCC_A2,ELEM_B;0) 298.15<NL> 35778.716+94.894864*T-15.6641*T*LN(T)-6.864515E-3*T**2+0.618878E-6*T**3<NL> +370843*T**(-1); 1100.00 Y<NL> 26864.526+172.584744*T-26.6047*T*LN(T)-0.79809E-3*T**2-0.02556E-6*T**3<NL> +1748270*T**(-1); 2348.00 Y<NL> 6846.418+219.119244*T-31.5957527*T*LN(T)-1.59488E-3*T**2+0.134719E-6*T**3<NL> +11205883*T**(-1); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_BA 298.15<NL> -17685.226+233.78606*T-42.889*T*LN(T)-1.8314E-3*T**2-0.000095E-6*T**3<NL> +705880*T**(-1); 1000.00 Y<NL> -64873.614+608.188389*T-94.2824199*T*LN(T)+19.504772E-3*T**2-1.051353E-6*T**3<NL> +8220192*T**(-1); 2995.00 Y<NL> 8083.889+136.780042*T-32.2*T*LN(T); 4000.00 N !
FUNCTION SGTE_LIQUID_ELEM_BA 298.15<NL> -9738.988+229.540143*T-43.4961089*T*LN(T)-2.346416E-3*T**2+0.991223E-6*T**3<NL> +723016*T**(-1); 1000.00 Y<NL> -7381.093+235.49642*T-45.103*T*LN(T)+2.154E-3*T**2+0.000027E-6*T**3<NL> -365*T**(-1); 2995.00 Y<NL> 11940.282+132.212*T-32.2*T*LN(T); 4000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_BA 298.15<NL> -15685.226+235.08606*T-42.889*T*LN(T)-1.8314E-3*T**2-0.000095E-6*T**3<NL> +705880*T**(-1); 1000.00 Y<NL> -62873.614+609.488389*T-94.2824199*T*LN(T)+19.504772E-3*T**2-1.051353E-6*T**3<NL> +8220192*T**(-1); 2995.00 Y<NL> 10083.889+138.080042*T-32.2*T*LN(T); 4000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_BA 298.15<NL> -15885.226+234.38606*T-42.889*T*LN(T)-1.8314E-3*T**2-0.000095E-6*T**3<NL> +705880*T**(-1); 1000.00 Y<NL> -63073.614+608.788389*T-94.2824199*T*LN(T)+19.504772E-3*T**2-1.051353E-6*T**3<NL> +8220192*T**(-1); 2995.00 Y<NL> 9883.889+137.380042*T-32.2*T*LN(T); 4000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_BE 298.15<NL> -8553.651+137.560219*T-21.204*T*LN(T)-2.84715E-3*T**2-0.160413E-6*T**3<NL> +293690*T**(-1); 1527.00 Y<NL> -121305.858+772.405844*T-103.9842999*T*LN(T)+21.078651E-3*T**2<NL> -1.119065E-6*T**3+27251743*T**(-1); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_BE 298.15<NL> -1076.057+109.411712*T-17.1727841*T*LN(T)-8.672487E-3*T**2+0.961427E-6*T**3<NL> +242309*T**(-1); 1527.00 Y<NL> -6970.378+196.411689*T-30*T*LN(T); 1560.00 Y<NL> -2609.973+178.131722*T-27.7823769*T*LN(T)-0.103629E-3*T**2-0.059331E-6*T**3<NL> -1250847*T**(-1); 3000.00 N !
FUNCTION SGTE_LIQUID_ELEM_BE 298.15<NL> 7511.838+120.362788*T-20.0497038*T*LN(T)-4.821347E-3*T**2+0.415958E-6*T**3<NL> +281044*T**(-1); 1560.00 Y<NL> 5364.713+156.961141*T-25.486*T*LN(T)-1.0572E-3*T**2-0.001117E-6*T**3<NL> +15920*T**(-1); 3000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_BE 298.15<NL> -2204.651+136.475219*T-21.204*T*LN(T)-2.84715E-3*T**2-0.160413E-6*T**3<NL> +293690*T**(-1); 1527.00 Y<NL> -114956.858+771.320844*T-103.9842999*T*LN(T)+21.078651E-3*T**2<NL> -1.119065E-6*T**3+27251743*T**(-1); 3000.00 N !
FUNCTION SGTE_RHOMBOHEDRAL_A7_ELEM_BI 298.15<NL> -7817.776+128.418925*T-28.4096529*T*LN(T)+12.338888E-3*T**2-8.381598E-6*T**3;<NL> 544.55 Y<NL> 30208.022-393.650351*T+51.8556592*T*LN(T)-75.311163E-3*T**2+13.499885E-6*T**3<NL> -3616168*T**(-1)+166.145E23*T**(-9); 800.00 Y<NL> -11045.664+182.548971*T-35.9824*T*LN(T)+7.4266E-3*T**2-1.046E-6*T**3<NL> +166.145E23*T**(-9); 1200.00 Y<NL> -7581.312+124.77144*T-27.196*T*LN(T)+166.145E23*T**(-9); 3000.00 N !
FUNCTION SGTE_LIQUID_ELEM_BI 298.15<NL> 3428.29+107.782416*T-28.4096529*T*LN(T)+12.338888E-3*T**2-8.381598E-6*T**3<NL> -59.549E-20*T**7; 544.55 Y<NL> 41544.282-414.460769*T+51.8556592*T*LN(T)-75.311163E-3*T**2+13.499885E-6*T**3<NL> -3616168*T**(-1); 800.00 Y<NL> 290.595+161.738553*T-35.9824*T*LN(T)+7.4266E-3*T**2-1.046E-6*T**3; 1200.00 Y<NL> 3754.947+103.961021*T-27.196*T*LN(T); 3000.00 N !
FUNCTION SGTE_TETRAGONAL_A6_ELEM_BI 298.15<NL> -3633.706+128.418925*T-28.4096529*T*LN(T)+12.338888E-3*T**2-8.381598E-6*T**3;<NL> 544.55 Y<NL> 34392.092-393.650351*T+51.8556592*T*LN(T)-75.311163E-3*T**2+13.499885E-6*T**3<NL> -3616168*T**(-1)+166.145E23*T**(-9); 800.00 Y<NL> -6861.594+182.548971*T-35.9824*T*LN(T)+7.4266E-3*T**2-1.046E-6*T**3<NL> +166.145E23*T**(-9); 1200.00 Y<NL> -3397.242+124.77144*T-27.196*T*LN(T)+166.145E23*T**(-9); 3000.00 N !
FUNCTION SGTE_BCT_A5_ELEM_BI 298.15<NL> -3633.706+128.418925*T-28.4096529*T*LN(T)+12.338888E-3*T**2-8.381598E-6*T**3;<NL> 544.55 Y<NL> 34392.092-393.650351*T+51.8556592*T*LN(T)-75.311163E-3*T**2+13.499885E-6*T**3<NL> -3616168*T**(-1)+166.145E23*T**(-9); 800.00 Y<NL> -6861.594+182.548971*T-35.9824*T*LN(T)+7.4266E-3*T**2-1.046E-6*T**3<NL> +166.145E23*T**(-9); 1200.00 Y<NL> -3397.242+124.77144*T-27.196*T*LN(T)+166.145E23*T**(-9); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_BI 298.15<NL> 3479.224+114.518925*T-28.4096529*T*LN(T)+12.338888E-3*T**2-8.381598E-6*T**3;<NL> 544.55 Y<NL> 41505.022-407.550351*T+51.8556592*T*LN(T)-75.311163E-3*T**2+13.499885E-6*T**3<NL> -3616168*T**(-1)+166.145E23*T**(-9); 800.00 Y<NL> 251.336+168.648971*T-35.9824*T*LN(T)+7.4266E-3*T**2-1.046E-6*T**3<NL> +166.145E23*T**(-9); 1200.00 Y<NL> 3715.688+110.87144*T-27.196*T*LN(T)+166.145E23*T**(-9); 3000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_BI 298.15<NL> 2082.224+115.918925*T-28.4096529*T*LN(T)+12.338888E-3*T**2-8.381598E-6*T**3;<NL> 544.55 Y<NL> 40108.022-406.150351*T+51.8556592*T*LN(T)-75.311163E-3*T**2+13.499885E-6*T**3<NL> -3616168*T**(-1)+166.145E23*T**(-9); 800.00 Y<NL> -1145.664+170.048971*T-35.9824*T*LN(T)+7.4266E-3*T**2-1.046E-6*T**3<NL> +166.145E23*T**(-9); 1200.00 Y<NL> 2318.688+112.27144*T-27.196*T*LN(T)+166.145E23*T**(-9); 3000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_BI 298.15<NL> 2082.224+116.618925*T-28.4096529*T*LN(T)+12.338888E-3*T**2-8.381598E-6*T**3;<NL> 544.55 Y<NL> 40108.022-405.450351*T+51.8556592*T*LN(T)-75.311163E-3*T**2+13.499885E-6*T**3<NL> -3616168*T**(-1)+166.145E23*T**(-9); 800.00 Y<NL> -1145.664+170.748971*T-35.9824*T*LN(T)+7.4266E-3*T**2-1.046E-6*T**3<NL> +166.145E23*T**(-9); 1200.00 Y<NL> 2318.688+112.97144*T-27.196*T*LN(T)+166.145E23*T**(-9); 3000.00 N !
FUNCTION SGTE_TET_ALPHA1_ELEM_BI 298.15<NL> -3583.776+128.418925*T-28.4096529*T*LN(T)+12.338888E-3*T**2-8.381598E-6*T**3;<NL> 544.55 Y<NL> 34442.022-393.650351*T+51.8556592*T*LN(T)-75.311163E-3*T**2+13.499885E-6*T**3<NL> -3616168*T**(-1)+166.145E23*T**(-9); 800.00 Y<NL> -6811.664+182.548971*T-35.9824*T*LN(T)+7.4266E-3*T**2-1.046E-6*T**3<NL> +166.145E23*T**(-9); 1200.00 Y<NL> -3347.312+124.77144*T-27.196*T*LN(T)+166.145E23*T**(-9); 3000.00 N !
FUNCTION SGTE_GRAPHITE_ELEM_C 298.15<NL> -17368.441+170.73*T-24.3*T*LN(T)-0.4723E-3*T**2+2562600*T**(-1)<NL> -264300000*T**(-2)+1.2E10*T**(-3); 6000.00 N !
FUNCTION SGTE_DIAMOND_A4_ELEM_C 298.15<NL> -16359.441+175.61*T-24.31*T*LN(T)-0.4723E-3*T**2+2698000*T**(-1)<NL> -261000000*T**(-2)+1.11E10*T**(-3); 6000.00 N !
FUNCTION SGTE_LIQUID_ELEM_C 298.15<NL> 100000.559+146.1*T-24.3*T*LN(T)-0.4723E-3*T**2+2562600*T**(-1)<NL> -264300000*T**(-2)+1.2E10*T**(-3); 6000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_CA 298.15<NL> -4955.062+72.794266*T-16.3138*T*LN(T)-11.10455E-3*T**2-133574*T**(-1);<NL> 1115.00 Y<NL> -107304.428+799.982066*T-114.2922467*T*LN(T)+23.733814E-3*T**2-1.2438E-6*T**3<NL> +18245540*T**(-1); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_CA 298.15<NL> -7020.852+142.970155*T-28.2541*T*LN(T)+7.2326E-3*T**2-4.500217E-6*T**3<NL> +60578*T**(-1); 716.00 Y<NL> 1640.475+1.999694*T-6.276*T*LN(T)-16.1921E-3*T**2-523000*T**(-1); 1115.00 Y<NL> -142331.096+1023.549046*T-143.8726979*T*LN(T)+32.543127E-3*T**2<NL> -1.704079E-6*T**3+25353771*T**(-1); 3000.00 N !
FUNCTION SGTE_LIQUID_ELEM_CA 298.15<NL> 5844.846+62.4838*T-16.3138*T*LN(T)-11.10455E-3*T**2-133574*T**(-1); 500.00 Y<NL> 7838.856+18.2979*T-8.9874787*T*LN(T)-22.66537E-3*T**2+3.338303E-6*T**3<NL> -230193*T**(-1); 1115.00 Y<NL> -2654.938+188.9223*T-35*T*LN(T); 3000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_CA 298.15<NL> -4455.062+73.494266*T-16.3138*T*LN(T)-11.10455E-3*T**2-133574*T**(-1);<NL> 1115.00 Y<NL> -106804.428+800.682066*T-114.2922467*T*LN(T)+23.733814E-3*T**2-1.2438E-6*T**3<NL> +18245540*T**(-1); 3000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_CD 298.15<NL> -7083.469+99.506198*T-22.0442408*T*LN(T)-6.273908E-3*T**2-6966*T**(-1);<NL> 594.22 Y<NL> -20064.971+256.812233*T-45.1611543*T*LN(T)+8.832011E-3*T**2-0.899604E-6*T**3<NL> +1241290*T**(-1); 1500.00 Y<NL> -9027.489+148.20548*T-29.7064*T*LN(T); 1600.00 N !
FUNCTION SGTE_LIQUID_ELEM_CD 298.15<NL> -955.025+89.209282*T-22.0442408*T*LN(T)-6.273908E-3*T**2-6966*T**(-1);<NL> 400.00 Y<NL> 21716.884-371.046869*T+53.1313898*T*LN(T)-115.159917E-3*T**2+28.899781E-6*T**3<NL> -1271815*T**(-1); 594.22 Y<NL> -3252.303+138.251107*T-29.7064*T*LN(T); 1600.00 N !
FUNCTION SGTE_FCC_A1_ELEM_CD 298.15<NL> -6191.169+98.586198*T-22.0442408*T*LN(T)-6.273908E-3*T**2-6966*T**(-1);<NL> 594.22 Y<NL> -19172.671+255.892233*T-45.1611543*T*LN(T)+8.832011E-3*T**2-0.899604E-6*T**3<NL> +1241290*T**(-1); 1500.00 Y<NL> -8135.189+147.28548*T-29.7064*T*LN(T); 1600.00 N !
FUNCTION SGTE_TETRAGONAL_A6_ELEM_CD 298.15<NL> -6191.169+98.586198*T-22.0442408*T*LN(T)-6.273908E-3*T**2-6966*T**(-1);<NL> 594.22 Y<NL> -19172.671+255.892233*T-45.1611543*T*LN(T)+8.832011E-3*T**2-0.899604E-6*T**3<NL> +1241290*T**(-1); 1500.00 Y<NL> -8135.189+147.28548*T-29.7064*T*LN(T); 1600.00 N !
FUNCTION SGTE_RHOMBO_A10_ELEM_CD 298.15<NL> -6283.469+98.886198*T-22.0442408*T*LN(T)-6.273908E-3*T**2-6966*T**(-1);<NL> 594.22 Y<NL> -19264.971+256.192233*T-45.1611543*T*LN(T)+8.832011E-3*T**2-0.899604E-6*T**3<NL> +1241290*T**(-1); 1500.00 Y<NL> -8227.489+147.58548*T-29.7064*T*LN(T); 1600.00 N !
FUNCTION SGTE_BCT_A5_ELEM_CD 298.15<NL> -2083.469+99.506198*T-22.0442408*T*LN(T)-6.273908E-3*T**2-6966*T**(-1);<NL> 594.22 Y<NL> -15064.971+256.812233*T-45.1611543*T*LN(T)+8.832011E-3*T**2-0.899604E-6*T**3<NL> +1241290*T**(-1); 1500.00 Y<NL> -4027.489+148.20548*T-29.7064*T*LN(T); 1600.00 N !
FUNCTION SGTE_FCC_A1_ELEM_CE 298.15<NL> -7160.519+84.23022*T-22.3664*T*LN(T)-6.7103E-3*T**2-0.320773E-6*T**3<NL> -18117*T**(-1); 1000.00 Y<NL> -79678.506+659.4604*T-101.3224803*T*LN(T)+26.046487E-3*T**2-1.930297E-6*T**3<NL> +11531707*T**(-1); 2000.00 Y<NL> -14198.639+190.370192*T-37.6978*T*LN(T); 4000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_CE 298.15<NL> -1354.69-5.21501*T-7.7305867*T*LN(T)-29.098402E-3*T**2+4.784299E-6*T**3<NL> -196303*T**(-1); 1000.00 Y<NL> -12101.106+187.449688*T-37.6142*T*LN(T); 1072.00 Y<NL> -11950.375+186.333811*T-37.4627992*T*LN(T)-0.057145E-3*T**2+0.002348E-6*T**3<NL> -25897*T**(-1); 4000.00 N !
FUNCTION SGTE_LIQUID_ELEM_CE 298.15<NL> 4117.865-11.423898*T-7.5383948*T*LN(T)-29.36407E-3*T**2+4.827734E-6*T**3<NL> -198834*T**(-1); 1000.00 Y<NL> -6730.605+183.023193*T-37.6978*T*LN(T); 4000.00 N !
FUNCTION SGTE_DHCP_ELEM_CE 298.15<NL> -7283.058+84.66322*T-22.3664*T*LN(T)-6.7103E-3*T**2-0.320773E-6*T**3<NL> -18117*T**(-1); 1000.00 Y<NL> -79801.045+659.8934*T-101.3224803*T*LN(T)+26.046487E-3*T**2-1.930297E-6*T**3<NL> +11531707*T**(-1); 2000.00 Y<NL> -14321.178+190.803192*T-37.6978*T*LN(T); 4000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_CE 298.15<NL> -6860.519+84.23022*T-22.3664*T*LN(T)-6.7103E-3*T**2-0.320773E-6*T**3<NL> -18117*T**(-1); 1000.00 Y<NL> -79378.506+659.4604*T-101.3224803*T*LN(T)+26.046487E-3*T**2-1.930297E-6*T**3<NL> +11531707*T**(-1); 2000.00 Y<NL> -13898.639+190.370192*T-37.6978*T*LN(T); 4000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_CO 298.15<NL> 310.241+133.36601*T-25.0861*T*LN(T)-2.654739E-3*T**2-0.17348E-6*T**3<NL> +72527*T**(-1); 1768.00 Y<NL> -17197.666+253.28374*T-40.5*T*LN(T)+934.88E28*T**(-9); 6000.00 N !
PARAMETER TC(HCP_A3,ELEM_CO;0) 298.15 1396.00; 6000.00 N !
PARAMETER BM(HCP_A3,ELEM_CO;0) 298.15 1.35; 6000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_CO 298.15<NL> 737.832+132.750762*T-25.0861*T*LN(T)-2.654739E-3*T**2-0.17348E-6*T**3<NL> +72527*T**(-1); 1768.00 Y<NL> -16770.075+252.668487*T-40.5*T*LN(T)+934.88E28*T**(-9); 6000.00 N !
PARAMETER TC(FCC_A1,ELEM_CO;0) 298.15 1396.00; 6000.00 N !
PARAMETER BM(FCC_A1,ELEM_CO;0) 298.15 1.35; 6000.00 N !
FUNCTION SGTE_LIQUID_ELEM_CO 298.15<NL> 15395.278+124.434078*T-25.0861*T*LN(T)-2.654739E-3*T**2-0.17348E-6*T**3<NL> +72527*T**(-1)-219.801E-23*T**7; 1768.00 Y<NL> -846.61+243.599944*T-40.5*T*LN(T); 6000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_CO 298.15<NL> 3248.241+132.65221*T-25.0861*T*LN(T)-2.654739E-3*T**2-0.17348E-6*T**3<NL> +72527*T**(-1); 1768.00 Y<NL> -14259.666+252.56994*T-40.5*T*LN(T)+934.88E28*T**(-9); 6000.00 N !
PARAMETER TC(BCC_A2,ELEM_CO;0) 298.15 1450.00; 6000.00 N !
PARAMETER BM(BCC_A2,ELEM_CO;0) 298.15 1.35; 6000.00 N !
FUNCTION SGTE_CBCC_A12_ELEM_CO 298.15<NL> 4465.241+133.36601*T-25.0861*T*LN(T)-2.654739E-3*T**2-0.17348E-6*T**3<NL> +72527*T**(-1); 1768.00 Y<NL> -13042.666+253.28374*T-40.5*T*LN(T)+934.88E28*T**(-9); 6000.00 N !
FUNCTION SGTE_CUB_A13_ELEM_CO 298.15<NL> 3465.241+133.36601*T-25.0861*T*LN(T)-2.654739E-3*T**2-0.17348E-6*T**3<NL> +72527*T**(-1); 1768.00 Y<NL> -14042.666+253.28374*T-40.5*T*LN(T)+934.88E28*T**(-9); 6000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_CR 298.15<NL> -8856.94+157.48*T-26.908*T*LN(T)+1.89435E-3*T**2-1.47721E-6*T**3+139250*T**(-1);<NL> 2180.00 Y<NL> -34869.344+344.18*T-50*T*LN(T)-2885.26E29*T**(-9); 6000.00 N !
PARAMETER TC(BCC_A2,ELEM_CR;0) 298.15 -311.50; 6000.00 N !
PARAMETER BM(BCC_A2,ELEM_CR;0) 298.15 -0.008; 6000.00 N !
FUNCTION SGTE_LIQUID_ELEM_CR 298.15<NL> 15483.015+146.059775*T-26.908*T*LN(T)+1.89435E-3*T**2-1.47721E-6*T**3<NL> +139250*T**(-1)+237.615E-23*T**7; 2180.00 Y<NL> -16459.984+335.616316*T-50*T*LN(T); 6000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_CR 298.15<NL> -1572.94+157.643*T-26.908*T*LN(T)+1.89435E-3*T**2-1.47721E-6*T**3<NL> +139250*T**(-1); 2180.00 Y<NL> -27585.344+344.343*T-50*T*LN(T)-2885.26E29*T**(-9); 6000.00 N !
PARAMETER TC(FCC_A1,ELEM_CR;0) 298.15 -1109.00; 6000.00 N !
PARAMETER BM(FCC_A1,ELEM_CR;0) 298.15 -2.46; 6000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_CR 298.15<NL> -4418.94+157.48*T-26.908*T*LN(T)+1.89435E-3*T**2-1.47721E-6*T**3+139250*T**(-1);<NL> 2180.00 Y<NL> -30431.344+344.18*T-50*T*LN(T)-2885.26E29*T**(-9); 6000.00 N !
PARAMETER TC(HCP_A3,ELEM_CR;0) 298.15 -1109.00; 6000.00 N !
PARAMETER BM(HCP_A3,ELEM_CR;0) 298.15 -2.46; 6000.00 N !
FUNCTION SGTE_HCP_ZN_ELEM_CR 298.15<NL> -4417.94+157.48*T-26.908*T*LN(T)+1.89435E-3*T**2-1.47721E-6*T**3+139250*T**(-1);<NL> 2180.00 Y<NL> -30430.344+344.18*T-50*T*LN(T)-2885.26E29*T**(-9); 6000.00 N !
FUNCTION SGTE_CUB_A13_ELEM_CR 298.15<NL> 7042.06+158.1076*T-26.908*T*LN(T)+1.89435E-3*T**2-1.47721E-6*T**3<NL> +139250*T**(-1); 2180.00 Y<NL> -18970.344+344.8076*T-50*T*LN(T)-2885.26E29*T**(-9); 6000.00 N !
FUNCTION SGTE_CBCC_A12_ELEM_CR 298.15<NL> 2230.06+160.1996*T-26.908*T*LN(T)+1.89435E-3*T**2-1.47721E-6*T**3<NL> +139250*T**(-1); 2180.00 Y<NL> -23782.344+346.8996*T-50*T*LN(T)-2885.26E29*T**(-9); 6000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_CS 200.00<NL> -17373.82+436.899787*T-90.5212584*T*LN(T)+202.9422E-3*T**2-127.907669E-6*T**3<NL> +245245*T**(-1); 301.59 Y<NL> -13553.817+218.689955*T-46.7273304*T*LN(T)+20.43269E-3*T**2-4.074846E-6*T**3<NL> +181528*T**(-1)+78.016E20*T**(-9); 2000.00 N !
FUNCTION SGTE_LIQUID_ELEM_CS 200.00<NL> -15282.679+429.968752*T-90.5212584*T*LN(T)+202.9422E-3*T**2<NL> -127.907669E-6*T**3+245245*T**(-1)-356.867E-20*T**7; 301.59 Y<NL> -11454.038+211.728844*T-46.7273304*T*LN(T)+20.43269E-3*T**2-4.074846E-6*T**3<NL> +181528*T**(-1); 2000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_CS 200.00<NL> -16873.82+438.899787*T-90.5212584*T*LN(T)+202.9422E-3*T**2-127.907669E-6*T**3<NL> +245245*T**(-1); 301.59 Y<NL> -13053.817+220.689955*T-46.7273304*T*LN(T)+20.43269E-3*T**2-4.074846E-6*T**3<NL> +181528*T**(-1)+78.016E20*T**(-9); 2000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_CS 200.00<NL> -16873.82+438.199787*T-90.5212584*T*LN(T)+202.9422E-3*T**2-127.907669E-6*T**3<NL> +245245*T**(-1); 301.59 Y<NL> -13053.817+219.989955*T-46.7273304*T*LN(T)+20.43269E-3*T**2-4.074846E-6*T**3<NL> +181528*T**(-1)+78.016E20*T**(-9); 2000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_CU 298.15<NL> -7770.458+130.485235*T-24.112392*T*LN(T)-2.65684E-3*T**2+0.129223E-6*T**3<NL> +52478*T**(-1); 1357.77 Y<NL> -13542.026+183.803828*T-31.38*T*LN(T)+364.167E27*T**(-9); 3200.00 N !
FUNCTION SGTE_BCC_A2_ELEM_CU 298.15<NL> -3753.458+129.230235*T-24.112392*T*LN(T)-2.65684E-3*T**2+0.129223E-6*T**3<NL> +52478*T**(-1); 1357.77 Y<NL> -9525.026+182.548828*T-31.38*T*LN(T)+364.167E27*T**(-9); 3200.00 N !
FUNCTION SGTE_HCP_A3_ELEM_CU 298.15<NL> -7170.458+130.685235*T-24.112392*T*LN(T)-2.65684E-3*T**2+0.129223E-6*T**3<NL> +52478*T**(-1); 1357.77 Y<NL> -12942.026+184.003828*T-31.38*T*LN(T)+364.167E27*T**(-9); 3200.00 N !
FUNCTION SGTE_HCP_ZN_ELEM_CU 298.15<NL> -7170.458+130.685235*T-24.112392*T*LN(T)-2.65684E-3*T**2+0.129223E-6*T**3<NL> +52478*T**(-1); 1357.77 Y<NL> -12942.026+184.003828*T-31.38*T*LN(T)+364.167E27*T**(-9); 3200.00 N !
FUNCTION SGTE_LIQUID_ELEM_CU 298.15<NL> 5194.277+120.973331*T-24.112392*T*LN(T)-2.65684E-3*T**2+0.129223E-6*T**3<NL> +52478*T**(-1)-584.89E-23*T**7; 1357.77 Y<NL> -46.545+173.881484*T-31.38*T*LN(T); 3200.00 N !
FUNCTION SGTE_HCP_A3_ELEM_DY 100<NL> -7937.16586+102.307412*T-26.3917167*T*LN(T)<NL> -7.61683657E-4*T**2-5.86914125E-7*T**3+4010.90565*T**(-1); 1000 Y<NL> -13733.3280+214.012934*T-43.8283359*T*LN(T)+1.66909801E-2*T**2<NL> -3.49702836E-6*T**3+1.73619874E-2*T**(-1); 1654.15 Y<NL> -404681.371+2032.14150*T-272.123952*T*LN(T)+5.78301681E-2*T**2<NL> -2.76169148E-6*T**3+109616238*T**(-1); 3000 N !
PARAMETER TC(HCP_A3,ELEM_DY;0) 100<NL> 179; 3000 N !
PARAMETER BMAGN(HCP_A3,ELEM_DY;0) 100 3.0; 3000 N !
FUNCTION SGTE_BCC_A2_ELEM_DY 100<NL> -6428.98566+101.740795819*T<NL> -26.3917167*T*LN(T)-7.61683657E-4*T**2-5.86914125E-7*T**3<NL> +4010.90565*T**(-1); 1000 Y<NL> 327500.062-2868.04585*T+391.515418*T*LN(T)-2.24042148E-1*T**2<NL> +2.04076075E-5*T**3-48652656.5*T**(-1); 1654.15 Y<NL> -33708.7949+291.409631*T-50.208*T*LN(T); 1685.15 Y<NL> -40775.4966+330.318068*T-55.2811171*T*LN(T)+1.5254673E-3*T**2<NL> -7.74371160E-8*T**3+1776589.32*T**(-1); 3000 N !
FUNCTION SGTE_LIQUID_ELEM_DY 100<NL> 5259.45264+94.7630477*T-26.3917167*T*LN(T)<NL> -7.61683657E-4*T**2-5.86914125E-7*T**3+4010.90565*T**(-1); 1000 Y<NL> 300126.971-2519.78614*T+341.302578*T*LN(T)-1.96153225E-1*T**2<NL> +1.76197799E-5*T**3-43071677.5*T**(-1); 1685.15 Y<NL> -21864.7344+282.205014*T-49.9151*T*LN(T); 3000 N !
FUNCTION SGTE_HCP_A3_ELEM_ER 298.15<NL> -8489.136+116.698964*T-28.3846744*T*LN(T)+0.995792E-3*T**2-0.952557E-6*T**3<NL> +9581*T**(-1); 1802.00 Y<NL> -445688.206+2233.102116*T-298.1351305*T*LN(T)+65.950553E-3*T**2<NL> -3.041405E-6*T**3+123973199*T**(-1); 3200.00 N !
FUNCTION SGTE_LIQUID_ELEM_ER 298.15<NL> 10892.966+106.457118*T-28.3846744*T*LN(T)+0.995792E-3*T**2-0.952557E-6*T**3<NL> +9581*T**(-1); 500.00 Y<NL> 17912.678+0.355564*T-12.0761776*T*LN(T)-14.414687E-3*T**2+1.316517E-6*T**3<NL> -528122*T**(-1); 1802.00 Y<NL> 747.131+187.623024*T-38.702*T*LN(T); 3200.00 N !
FUNCTION SGTE_BCC_A2_ELEM_ER 298.15<NL> -3889.136+114.204611*T-28.3846744*T*LN(T)+0.995792E-3*T**2-0.952557E-6*T**3<NL> +9581*T**(-1); 1802.00 Y<NL> -441088.206+2230.607763*T-298.1351305*T*LN(T)+65.950553E-3*T**2<NL> -3.041405E-6*T**3+123973199*T**(-1); 3200.00 N !
FUNCTION SGTE_BCC_A2_ELEM_EU 298.15<NL> -9864.965+135.836737*T-32.8418896*T*LN(T)+9.31735E-3*T**2-4.006564E-6*T**3<NL> +102717*T**(-1); 1095.00 Y<NL> -287423.476+2174.733036*T-309.3571009*T*LN(T)+114.530917E-3*T**2<NL> -8.809866E-6*T**3+48455305*T**(-1); 1900.00 N !
FUNCTION SGTE_LIQUID_ELEM_EU 298.15<NL> -1482.46+128.661522*T-32.8418896*T*LN(T)+9.31735E-3*T**2-4.006564E-6*T**3<NL> +102717*T**(-1); 400.00 Y<NL> 10972.726-103.688201*T+4.3501554*T*LN(T)-36.811218E-3*T**2+5.452934E-6*T**3<NL> -646908*T**(-1); 1095.00 Y<NL> -6890.641+175.517247*T-38.11624*T*LN(T); 1900.00 N !
FUNCTION SGTE_BCC_A2_ELEM_FE 298.15<NL> 1225.7+124.134*T-23.5143*T*LN(T)-4.39752E-3*T**2-0.058927E-6*T**3+77359*T**(-1);<NL> 1811.00 Y<NL> -25383.581+299.31255*T-46*T*LN(T)+2296.03E28*T**(-9); 6000.00 N !
PARAMETER TC(BCC_A2,ELEM_FE;0) 298.15 1043.00; 6000.00 N !
PARAMETER BM(BCC_A2,ELEM_FE;0) 298.15 2.22; 6000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_FE 298.15<NL> -236.7+132.416*T-24.6643*T*LN(T)-3.75752E-3*T**2-0.058927E-6*T**3+77359*T**(-1);<NL> 1811.00 Y<NL> -27097.3963+300.252559*T-46*T*LN(T)+2788.54E28*T**(-9); 6000.00 N !
PARAMETER TC(FCC_A1,ELEM_FE;0) 298.15 -201.00; 6000.00 N !
PARAMETER BM(FCC_A1,ELEM_FE;0) 298.15 -2.10; 6000.00 N !
FUNCTION SGTE_LIQUID_ELEM_FE 298.15<NL> 13265.87+117.57557*T-23.5143*T*LN(T)-4.39752E-3*T**2-0.058927E-6*T**3<NL> +77359*T**(-1)-367.516E-23*T**7; 1811.00 Y<NL> -10838.83+291.302*T-46*T*LN(T); 6000.00 N !
FUNCTION SGTE_CBCC_A12_ELEM_FE 298.15<NL> 5970.7+124.134*T-23.5143*T*LN(T)-4.39752E-3*T**2-0.058927E-6*T**3+77359*T**(-1);<NL> 1811.00 Y<NL> -20638.581+299.31255*T-46*T*LN(T)+2296.03E28*T**(-9); 6000.00 N !
FUNCTION SGTE_CUB_A13_ELEM_FE 298.15<NL> 4970.7+124.134*T-23.5143*T*LN(T)-4.39752E-3*T**2-0.058927E-6*T**3+77359*T**(-1);<NL> 1811.00 Y<NL> -21638.581+299.31255*T-46*T*LN(T)+2296.03E28*T**(-9); 6000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_FE 298.15<NL> -2480.08+136.725*T-24.6643*T*LN(T)-3.75752E-3*T**2-0.058927E-6*T**3<NL> +77359*T**(-1); 1811.00 Y<NL> -29340.776+304.561559*T-46*T*LN(T)+2788.54E28*T**(-9); 6000.00 N !
FUNCTION SGTE_ORTHORHOMBIC_A20_ELEM_FE 298.15<NL> 6225.7+124.134*T-23.5143*T*LN(T)-4.39752E-3*T**2-0.058927E-6*T**3+77359*T**(-1);<NL> 1811.00 Y<NL> -20383.581+299.31255*T-46*T*LN(T)+2296.03E28*T**(-9); 6000.00 N !
FUNCTION SGTE_TETRAGONAL_U_ELEM_FE 298.15<NL> 6225.7+124.134*T-23.5143*T*LN(T)-4.39752E-3*T**2-0.058927E-6*T**3+77359*T**(-1);<NL> 1811.00 Y<NL> -20383.581+299.31255*T-46*T*LN(T)+2296.03E28*T**(-9); 6000.00 N !
FUNCTION SGTE_ORTHORHOMBIC_GA_ELEM_GA 200.00<NL> -21312.331+585.263691*T-108.2287832*T*LN(T)+227.155636E-3*T**2<NL> -118.575257E-6*T**3+439954*T**(-1); 302.91 Y<NL> -7055.643+132.73019*T-26.0692906*T*LN(T)+0.1506E-3*T**2-0.040173E-6*T**3<NL> -118332*T**(-1)+164.547E21*T**(-9); 4000.00 N !
FUNCTION SGTE_LIQUID_ELEM_GA 200.00<NL> -15821.033+567.189696*T-108.2287832*T*LN(T)+227.155636E-3*T**2<NL> -118.575257E-6*T**3+439954*T**(-1)-70.171E-18*T**7; 302.91 Y<NL> -1389.188+114.049043*T-26.0692906*T*LN(T)+0.1506E-3*T**2-0.040173E-6*T**3<NL> -118332*T**(-1); 4000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_GA 200.00<NL> -16812.331+575.763691*T-108.2287832*T*LN(T)+227.155636E-3*T**2<NL> -118.575257E-6*T**3+439954*T**(-1); 302.91 Y<NL> -2555.643+123.23019*T-26.0692906*T*LN(T)+0.1506E-3*T**2-0.040173E-6*T**3<NL> -118332*T**(-1)+164.547E21*T**(-9); 4000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_GA 200.00<NL> -17512.331+575.063691*T-108.2287832*T*LN(T)+227.155636E-3*T**2<NL> -118.575257E-6*T**3+439954*T**(-1); 302.91 Y<NL> -3255.643+122.53019*T-26.0692906*T*LN(T)+0.1506E-3*T**2-0.040173E-6*T**3<NL> -118332*T**(-1)+164.547E21*T**(-9); 4000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_GA 200.00<NL> -16812.331+573.563691*T-108.2287832*T*LN(T)+227.155636E-3*T**2<NL> -118.575257E-6*T**3+439954*T**(-1); 302.91 Y<NL> -2555.643+121.03019*T-26.0692906*T*LN(T)+0.1506E-3*T**2-0.040173E-6*T**3<NL> -118332*T**(-1)+164.547E21*T**(-9); 4000.00 N !
FUNCTION SGTE_TETRAGONAL_A6_ELEM_GA 200.00<NL> -17812.331+575.263691*T-108.2287832*T*LN(T)+227.155636E-3*T**2<NL> -118.575257E-6*T**3+439954*T**(-1); 302.91 Y<NL> -3555.643+122.73019*T-26.0692906*T*LN(T)+0.1506E-3*T**2-0.040173E-6*T**3<NL> -118332*T**(-1)+164.547E21*T**(-9); 4000.00 N !
FUNCTION SGTE_BCT_A5_ELEM_GA 200.00<NL> -17466.331+575.463691*T-108.2287832*T*LN(T)+227.155636E-3*T**2<NL> -118.575257E-6*T**3+439954*T**(-1); 302.91 Y<NL> -3209.643+122.93019*T-26.0692906*T*LN(T)+0.1506E-3*T**2-0.040173E-6*T**3<NL> -118332*T**(-1)+164.547E21*T**(-9); 4000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_GD 200<NL> -6834.58550+97.131010*T-24.7214131*T*LN(T)<NL> -2.85240521E-3*T**2-3.14674076E-7*T**3-8665.73348*T**(-1); 1000 Y<NL> -6483.25362+95.6919924*T-24.6598297*T*LN(T)-1.85225011E-3*T**2<NL> -6.61211607E-7*T**3; 1508.15 Y<NL> -123124.992+699.125537*T-101.800197*T*LN(T)+1.50644246E-2*T**2<NL> -6.39165948E-7*T**3+29356890.3*T**(-1); 3600 N !
PARAMETER TC(HCP_A3,ELEM_GD;0) 200 293.4; 3600 N !
PARAMETER BMAGN(HCP_A3,ELEM_GD;0) 200 3.0; 3600 N !
FUNCTION SGTE_BCC_A2_ELEM_GD 100<NL> -3600.77684+95.01916415*T-24.7214131*T*LN(T)<NL> -2.85240521E-3*T**2-3.14674076E-7*T**3-8665.73348*T**(-1); 1000 Y<NL> 152792.743-1349.58873*T+180.097094*T*LN(T)-0.119550229*T**2<NL> +1.17915728E-5*T**3-22038836*T**(-1); 1508.15 Y<NL> -15783.7618+202.222057*T-38.9604250*T*LN(T); 1586.15 Y<NL> -19850.5562+224.817909*T-41.9043330*T*LN(T)+8.58222759E-4*T**2<NL> -3.77570269E-8*T**3+995428.573*T**(-1); 3600 N !
FUNCTION SGTE_LIQUID_ELEM_GD 100<NL> 6225.4407+88.80921026*T-24.7214131*T*LN(T)<NL> -2.85240521E-3*T**2-3.14674076E-7*T**3-8665.73348*T**(-1); 1000 Y<NL> 146262.037-1208.70685*T+159.352082*T*LN(T)-0.108247135*T**2<NL> +1.06945505E-5*T**3-19678357*T**(-1); 1508.15 Y<NL> -5397.31400+192.336215*T-38.5075000*T*LN(T); 3600 N !
FUNCTION SGTE_FCC_A1_ELEM_GD 200<NL> -6334.58550+97.131010*T-24.7214131*T*LN(T)<NL> -2.85240521E-3*T**2-3.14674076E-7*T**3-8665.73348*T**(-1); 1000 Y<NL> -5983.25362+95.6919924*T-24.6598297*T*LN(T)-1.85225011E-3*T**2<NL> -6.61211607E-7*T**3; 1508.15 Y<NL> -122624.992+699.125537*T-101.800197*T*LN(T)+1.50644246E-2*T**2<NL> -6.39165948E-7*T**3+29356890.3*T**(-1); 3600 N !
FUNCTION SGTE_DIAMOND_A4_ELEM_GE 298.15<NL> -9486.153+165.635573*T-29.5337682*T*LN(T)+5.568297E-3*T**2-1.513694E-6*T**3<NL> +163298*T**(-1); 900.00 Y<NL> -5689.239+102.86087*T-19.8536239*T*LN(T)-3.672527E-3*T**2; 1211.40 Y<NL> -9548.204+156.708024*T-27.6144*T*LN(T)-859.809E26*T**(-9); 3200.00 N !
FUNCTION SGTE_LIQUID_ELEM_GE 298.15<NL> 27655.337+134.94853*T-29.5337682*T*LN(T)+5.568297E-3*T**2-1.513694E-6*T**3<NL> +163298*T**(-1)+856.632E-23*T**7; 900.00 Y<NL> 31452.25+72.173826*T-19.8536239*T*LN(T)-3.672527E-3*T**2+856.632E-23*T**7;<NL> 1211.40 Y<NL> 27243.473+126.324186*T-27.6144*T*LN(T); 3200.00 N !
FUNCTION SGTE_FCC_A1_ELEM_GE 298.15<NL> 26513.847+143.335573*T-29.5337682*T*LN(T)+5.568297E-3*T**2-1.513694E-6*T**3<NL> +163298*T**(-1); 900.00 Y<NL> 30310.761+80.56087*T-19.8536239*T*LN(T)-3.672527E-3*T**2; 1211.40 Y<NL> 26451.796+134.408024*T-27.6144*T*LN(T)-859.809E26*T**(-9); 3200.00 N !
FUNCTION SGTE_BCC_A2_ELEM_GE 298.15<NL> 24613.847+142.135573*T-29.5337682*T*LN(T)+5.568297E-3*T**2-1.513694E-6*T**3<NL> +163298*T**(-1); 900.00 Y<NL> 28410.761+79.36087*T-19.8536239*T*LN(T)-3.672527E-3*T**2; 1211.40 Y<NL> 24551.796+133.208024*T-27.6144*T*LN(T)-859.809E26*T**(-9); 3200.00 N !
FUNCTION SGTE_HCP_A3_ELEM_GE 298.15<NL> 25513.847+144.135573*T-29.5337682*T*LN(T)+5.568297E-3*T**2-1.513694E-6*T**3<NL> +163298*T**(-1); 900.00 Y<NL> 29310.761+81.36087*T-19.8536239*T*LN(T)-3.672527E-3*T**2; 1211.40 Y<NL> 25451.796+135.208024*T-27.6144*T*LN(T)-859.809E26*T**(-9); 3200.00 N !
PARAMETER G(BCT_A5,ELEM_GE;0) 298.15<NL> 19313.847+149.135573*T-29.5337682*T*LN(T)+5.568297E-3*T**2-1.513694E-6*T**3<NL> +163298*T**(-1); 900.00 Y<NL> 23110.761+86.36087*T-19.8536239*T*LN(T)-3.672527E-3*T**2; 1211.40 Y<NL> 19251.796+140.208024*T-27.6144*T*LN(T)-859.809E26*T**(-9); 3000.00 N !
FUNCTION SGTE_RHOMBOHEDRAL_A7_ELEM_GE 298.15<NL> 20313.847+149.135573*T-29.5337682*T*LN(T)+5.568297E-3*T**2-1.513694E-6*T**3<NL> +163298*T**(-1); 900.00 Y<NL> 24110.761+86.36087*T-19.8536239*T*LN(T)-3.672527E-3*T**2; 1211.40 Y<NL> 20251.796+140.208024*T-27.6144*T*LN(T)-859.809E26*T**(-9); 3000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_HF 298.15<NL> -6987.297+110.744026*T-22.7075*T*LN(T)-4.146145E-3*T**2-0.000477E-6*T**3<NL> -22590*T**(-1); 2506.00 Y<NL> -1446776.329+6193.609991*T-787.5363829*T*LN(T)+173.5215E-3*T**2<NL> -7.575759E-6*T**3+501742495*T**(-1); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_HF 298.15<NL> 5370.703+103.836026*T-22.8995*T*LN(T)-4.206605E-3*T**2+0.871923E-6*T**3<NL> -22590*T**(-1)-0.1446E-9*T**4; 2506.00 Y<NL> 1912456.771-8624.20573*T+1087.6141247*T*LN(T)-286.857065E-3*T**2<NL> +13.427829E-6*T**3-610085091*T**(-1); 3000.00 N !
FUNCTION SGTE_LIQUID_ELEM_HF 298.15<NL> 20414.959+99.790933*T-22.7075*T*LN(T)-4.146145E-3*T**2-0.000477E-6*T**3<NL> -22590*T**(-1); 1000.00 Y<NL> 49731.499-149.91739*T+12.116812*T*LN(T)-21.262021E-3*T**2+1.376466E-6*T**3<NL> -4449699*T**(-1); 2506.00 Y<NL> -4247.217+265.470523*T-44*T*LN(T); 3000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_HF 298.15<NL> 3012.703+108.544026*T-22.7075*T*LN(T)-4.146145E-3*T**2-0.000477E-6*T**3<NL> -22590*T**(-1); 2506.00 Y<NL> -1436776.329+6191.409991*T-787.5363829*T*LN(T)+173.5215E-3*T**2<NL> -7.575759E-6*T**3+501742495*T**(-1); 3000.00 N !
FUNCTION SGTE_LIQUID_ELEM_HG 200.00<NL> 82356.855-3348.194658*T+618.1933082*T*LN(T)-2028.2337E-3*T**2<NL> +1183.982129E-6*T**3-2366612*T**(-1); 234.32 Y<NL> -8961.207+135.232291*T-32.257*T*LN(T)+9.7977E-3*T**2-3.20695E-6*T**3<NL> +6670*T**(-1); 400.00 Y<NL> -7970.627+112.33345*T-28.414*T*LN(T)+3.18535E-3*T**2-1.077802E-6*T**3<NL> -41095*T**(-1); 700.00 Y<NL> -7161.338+90.797305*T-24.87*T*LN(T)-1.66775E-3*T**2+0.008737E-6*T**3<NL> -27495*T**(-1); 2000.00 N !
FUNCTION SGTE_RHOMBO_A10_ELEM_HG 200.00<NL> -10668.401+123.274598*T-28.847*T*LN(T)+16.99705E-3*T**2-24.555667E-6*T**3<NL> +13330*T**(-1); 234.32 Y<NL> -11425.394+135.928158*T-30.2091*T*LN(T)+1.07555E-3*T**2-0.228298E-6*T**3<NL> +35545*T**(-1); 2000.00 N !
FUNCTION SGTE_TETRAGONAL_A6_ELEM_HG 200.00<NL> -10459.721+125.04019*T-28.847*T*LN(T)<NL> +16.99705E-3*T**2-24.555667E-6*T**3+13330*T**(-1); 234.32 Y<NL> -11216.714+137.69375*T-30.2091*T*LN(T)+1.07555E-3*T**2-0.228298E-6*T**3<NL> +35545*T**(-1); 2000 N !
FUNCTION SGTE_HCP_A3_ELEM_HG 200.00<NL> -10468.401+123.974598*T-28.847*T*LN(T)<NL> +16.99705E-3*T**2-24.555667E-6*T**3+13330*T**(-1); 234.32 Y<NL> -11225.394+136.628158*T-30.2091*T*LN(T)+1.07555E-3*T**2-0.228298E-6*T**3<NL> +35545*T**(-1); 2000 N !
FUNCTION SGTE_HCP_A3_ELEM_HO 298.15<NL> -7612.429+86.593171*T-23.4879*T*LN(T)-8.27315E-3*T**2+2.375467E-6*T**3;<NL> 600.00 Y<NL> -10917.688+182.475691*T-39.6932*T*LN(T)+18.20065E-3*T**2-4.829733E-6*T**3;<NL> 900.00 Y<NL> 46646.188-421.474473*T+48.0595*T*LN(T)-42.4634E-3*T**2+3.233133E-6*T**3<NL> -7185900*T**(-1); 1200.00 Y<NL> 27786.061-156.162846*T+8.28608*T*LN(T)-10.82725E-3*T**2-1.112352E-6*T**3<NL> -6183850*T**(-1); 1703.00 Y<NL> -825364.662+4248.379056*T-558.9506818*T*LN(T)+139.111904E-3*T**2<NL> -6.824652E-6*T**3+219952973*T**(-1); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_HO 298.15<NL> -3773.06+84.546902*T-23.4879*T*LN(T)-8.27315E-3*T**2+2.375467E-6*T**3; 600.00 Y<NL> -7078.318+180.429422*T-39.6932*T*LN(T)+18.20065E-3*T**2-4.829733E-6*T**3;<NL> 900.00 Y<NL> 50485.557-423.520743*T+48.0595*T*LN(T)-42.4634E-3*T**2+3.233133E-6*T**3<NL> -7185900*T**(-1); 1000.00 Y<NL> 185620.196-1635.726622*T+218.9372486*T*LN(T)-135.16576E-3*T**2<NL> +12.168911E-6*T**3-26729747*T**(-1); 1703.00 Y<NL> -28759.761+272.961035*T-48.116*T*LN(T); 1745.00 Y<NL> -152646.008+939.778244*T-134.7930638*T*LN(T)+25.544089E-3*T**2<NL> -1.287517E-6*T**3+32050889*T**(-1); 3000.00 N !
FUNCTION SGTE_LIQUID_ELEM_HO 298.15<NL> 9770.9926+76.600977*T-23.4879*T*LN(T)-8.27315E-3*T**2+2.375467E-6*T**3;<NL> 600.00 Y<NL> 6465.7336+172.483497*T-39.6932*T*LN(T)+18.20065E-3*T**2-4.829733E-6*T**3;<NL> 900.00 Y<NL> 64029.2496-431.466667*T+48.0595*T*LN(T)-42.4634E-3*T**2+3.233133E-6*T**3<NL> -7185900*T**(-1); 1000.00 Y<NL> 124827.5326-994.683024*T+127.9577778*T*LN(T)-88.196514E-3*T**2+8.008222E-6*T**3<NL> -15727191*T**(-1); 1703.00 Y<NL> -9688.5314+230.793918*T-43.932*T*LN(T); 3000.00 N !
FUNCTION SGTE_TETRAGONAL_A6_ELEM_IN 298.15<NL> -6978.89+92.338115*T-21.8386*T*LN(T)-5.72566E-3*T**2-2.120321E-6*T**3<NL> -22906*T**(-1); 429.75 Y<NL> -7033.516+124.476588*T-27.4562*T*LN(T)+0.54607E-3*T**2-0.08367E-6*T**3<NL> -211708*T**(-1)+353.116E20*T**(-9); 3800.00 N !
FUNCTION SGTE_LIQUID_ELEM_IN 298.15<NL> -3696.798+84.701255*T-21.8386*T*LN(T)-5.72566E-3*T**2-2.120321E-6*T**3<NL> -22906*T**(-1)-559.058E-22*T**7; 429.75 Y<NL> -3749.81+116.835784*T-27.4562*T*LN(T)+0.54607E-3*T**2-0.08367E-6*T**3<NL> -211708*T**(-1); 3800.00 N !
FUNCTION SGTE_HCP_A3_ELEM_IN 298.15<NL> -6445.89+91.651315*T-21.8386*T*LN(T)-5.72566E-3*T**2-2.120321E-6*T**3<NL> -22906*T**(-1); 429.75 Y<NL> -6500.516+123.789788*T-27.4562*T*LN(T)+0.54607E-3*T**2-0.08367E-6*T**3<NL> -211708*T**(-1)+353.116E20*T**(-9); 3800.00 N !
FUNCTION SGTE_HCP_ZN_ELEM_IN 298.15<NL> -6445.89+91.651315*T-21.8386*T*LN(T)-5.72566E-3*T**2-2.120321E-6*T**3<NL> -22906*T**(-1); 429.75 Y<NL> -6500.516+123.789788*T-27.4562*T*LN(T)+0.54607E-3*T**2-0.08367E-6*T**3<NL> -211708*T**(-1)+353.116E20*T**(-9); 3800.00 N !
FUNCTION SGTE_FCC_A1_ELEM_IN 298.15<NL> -6816.829+92.338115*T-21.8386*T*LN(T)-5.72566E-3*T**2-2.120321E-6*T**3<NL> -22906*T**(-1); 429.75 Y<NL> -6871.455+124.476588*T-27.4562*T*LN(T)+0.54607E-3*T**2-0.08367E-6*T**3<NL> -211708*T**(-1)+353.116E20*T**(-9); 3800.00 N !
FUNCTION SGTE_BCC_A2_ELEM_IN 298.15<NL> -6178.89+91.538115*T-21.8386*T*LN(T)-5.72566E-3*T**2-2.120321E-6*T**3<NL> -22906*T**(-1); 429.75 Y<NL> -6233.516+123.676588*T-27.4562*T*LN(T)+0.54607E-3*T**2-0.08367E-6*T**3<NL> -211708*T**(-1)+353.116E20*T**(-9); 3800.00 N !
FUNCTION SGTE_TET_ALPHA1_ELEM_IN 298.15<NL> -6978.89+92.648115*T-21.8386*T*LN(T)-5.72566E-3*T**2-2.120321E-6*T**3<NL> -22906*T**(-1); 429.75 Y<NL> -7033.516+124.786588*T-27.4562*T*LN(T)+0.54607E-3*T**2-0.08367E-6*T**3<NL> -211708*T**(-1)+353.116E20*T**(-9); 3800.00 N !
FUNCTION SGTE_BCT_A5_ELEM_IN 298.15<NL> -1938.02+88.998425*T-21.8386*T*LN(T)-5.72566E-3*T**2-2.120321E-6*T**3<NL> -22906*T**(-1); 429.75 Y<NL> -1992.646+121.136898*T-27.4562*T*LN(T)+0.54607E-3*T**2-0.08367E-6*T**3<NL> -211708*T**(-1)+353.116E20*T**(-9); 3000.00 N !
FUNCTION SGTE_RHOMBOHEDRAL_A7_ELEM_IN 298.15<NL> -2794.89+92.338115*T-21.8386*T*LN(T)-5.72566E-3*T**2-2.120321E-6*T**3<NL> -22906*T**(-1); 429.75 Y<NL> -2849.516+124.476588*T-27.4562*T*LN(T)+0.54607E-3*T**2-0.08367E-6*T**3<NL> -211708*T**(-1)+353.116E20*T**(-9); 3000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_IR 298.15<NL> -6936.288+118.780119*T-22.7944*T*LN(T)-3.091976E-3*T**2-20083*T**(-1);<NL> 1215.00 Y<NL> -8123.73+140.066697*T-26.085*T*LN(T)-0.47969E-6*T**3; 2719.00 Y<NL> 290529.037-1258.352965*T+152.4988737*T*LN(T)-47.176402E-3*T**2<NL> +1.844977E-6*T**3-92987250*T**(-1); 4000.00 N !
FUNCTION SGTE_LIQUID_ELEM_IR 298.15<NL> 16518.956+112.46806*T-22.7944*T*LN(T)-3.091976E-3*T**2-20083*T**(-1); 1000.00 Y<NL> 102217.789-587.632815*T+73.9517579*T*LN(T)-46.38802E-3*T**2+2.761831E-6*T**3<NL> -13382612*T**(-1); 2719.00 Y<NL> -38347.217+411.234043*T-59.418*T*LN(T); 4000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_IR 298.15<NL> 25063.712+111.880119*T-22.7944*T*LN(T)-3.091976E-3*T**2-20083*T**(-1);<NL> 1215.00 Y<NL> 23876.27+133.166697*T-26.085*T*LN(T)-0.47969E-6*T**3; 2719.00 Y<NL> 322529.037-1265.252965*T+152.4988737*T*LN(T)-47.176402E-3*T**2<NL> +1.844977E-6*T**3-92987250*T**(-1); 4000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_IR 298.15<NL> -2936.288+118.180119*T-22.7944*T*LN(T)-3.091976E-3*T**2-20083*T**(-1);<NL> 1215.00 Y<NL> -4123.73+139.466697*T-26.085*T*LN(T)-0.47969E-6*T**3; 2719.00 Y<NL> 294529.037-1258.952965*T+152.4988737*T*LN(T)-47.176402E-3*T**2<NL> +1.844977E-6*T**3-92987250*T**(-1); 4000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_K 200.00<NL> -16112.929+389.624197*T-77.0571464*T*LN(T)+146.211135E-3*T**2<NL> -84.949147E-6*T**3+243385*T**(-1); 336.53 Y<NL> -11122.441+192.586544*T-39.2885968*T*LN(T)+12.167386E-3*T**2-2.64387E-6*T**3<NL> +43251*T**(-1)+119.223E20*T**(-9); 2200.00 N !
FUNCTION SGTE_LIQUID_ELEM_K 200.00<NL> -13794.833+382.737338*T-77.0571464*T*LN(T)+146.211135E-3*T**2<NL> -84.949147E-6*T**3+243385*T**(-1)-94.4E-20*T**7; 336.53 Y<NL> -8799.422+185.684327*T-39.2885968*T*LN(T)+12.167386E-3*T**2-2.64387E-6*T**3<NL> +43251*T**(-1); 2200.00 N !
FUNCTION SGTE_HCP_A3_ELEM_K 200.00<NL> -16062.929+391.624197*T-77.0571464*T*LN(T)+146.211135E-3*T**2<NL> -84.949147E-6*T**3+243385*T**(-1); 336.53 Y<NL> -11072.441+194.586544*T-39.2885968*T*LN(T)+12.167386E-3*T**2-2.64387E-6*T**3<NL> +43251*T**(-1)+119.223E20*T**(-9); 2200.00 N !
FUNCTION SGTE_FCC_A1_ELEM_K 200.00<NL> -16062.929+390.924197*T-77.0571464*T*LN(T)+146.211135E-3*T**2<NL> -84.949147E-6*T**3+243385*T**(-1); 336.53 Y<NL> -11072.441+193.886544*T-39.2885968*T*LN(T)+12.167386E-3*T**2-2.64387E-6*T**3<NL> +43251*T**(-1)+119.223E20*T**(-9); 2200.00 N !
FUNCTION SGTE_DHCP_ELEM_LA 298.15<NL> -7968.403+120.284604*T-26.34*T*LN(T)-1.295165E-3*T**2; 550.00 Y<NL> -3381.413+59.06113*T-17.1659411*T*LN(T)-8.371705E-3*T**2+0.68932E-6*T**3<NL> -399448*T**(-1); 2000.00 Y<NL> -15608.882+181.390071*T-34.3088*T*LN(T); 4000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_LA 298.15<NL> -6109.797+89.878761*T-21.7919*T*LN(T)-4.045175E-3*T**2-0.525865E-6*T**3;<NL> 1134.00 Y<NL> -124598.976+955.878375*T-139.3467411*T*LN(T)+42.032405E-3*T**2<NL> -3.066199E-6*T**3+20994153*T**(-1); 2000.00 Y<NL> -12599.386+178.54399*T-34.3088*T*LN(T); 4000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_LA 298.15<NL> -3952.161+88.072353*T-21.7919*T*LN(T)-4.045175E-3*T**2-0.525865E-6*T**3;<NL> 800.00 Y<NL> 321682.673-3565.082518*T+513.4407077*T*LN(T)-387.295093E-3*T**2<NL> +49.547989E-6*T**3-36581228*T**(-1); 1134.00 Y<NL> -16377.894+218.492988*T-39.5388*T*LN(T); 1193.00 Y<NL> -136609.91+1123.343974*T-163.4130738*T*LN(T)+53.968535E-3*T**2<NL> -4.056395E-6*T**3+21167204*T**(-1); 2000.00 Y<NL> -8205.988+174.836315*T-34.3088*T*LN(T); 4000.00 N !
FUNCTION SGTE_LIQUID_ELEM_LA 298.15<NL> 5332.653+18.23012*T-11.0188191*T*LN(T)-20.171603E-3*T**2+2.93775E-6*T**3<NL> -133541*T**(-1); 1134.00 Y<NL> -3942.004+171.018431*T-34.3088*T*LN(T); 4000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_LI 200.00<NL> -10583.817+217.637482*T-38.940488*T*LN(T)+35.466931E-3*T**2-19.869816E-6*T**3<NL> +159994*T**(-1); 453.60 Y<NL> -559579.123+10547.879893*T-1702.8886493*T*LN(T)+2258.329444E-3*T**2<NL> -571.066077E-6*T**3+33885874*T**(-1); 500.00 Y<NL> -9062.994+179.278285*T-31.2283718*T*LN(T)+2.633221E-3*T**2-0.438058E-6*T**3<NL> -102387*T**(-1); 3000.00 N !
FUNCTION SGTE_LIQUID_ELEM_LI 200.00<NL> -7883.612+211.841861*T-38.940488*T*LN(T)+35.466931E-3*T**2-19.869816E-6*T**3<NL> +159994*T**(-1); 250.00 Y<NL> 12015.027-362.187078*T+61.6104424*T*LN(T)-182.426463E-3*T**2+63.955671E-6*T**3<NL> -559968*T**(-1); 453.60 Y<NL> -6057.31+172.652183*T-31.2283718*T*LN(T)+2.633221E-3*T**2-0.438058E-6*T**3<NL> -102387*T**(-1); 3000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_LI 200.00<NL> -10691.817+218.937482*T-38.940488*T*LN(T)+35.466931E-3*T**2-19.869816E-6*T**3<NL> +159994*T**(-1); 453.60 Y<NL> -559687.123+10549.179893*T-1702.8886493*T*LN(T)+2258.329444E-3*T**2<NL> -571.066077E-6*T**3+33885874*T**(-1); 500.00 Y<NL> -9170.994+180.578285*T-31.2283718*T*LN(T)+2.633221E-3*T**2-0.438058E-6*T**3<NL> -102387*T**(-1); 3000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_LI 200.00<NL> -10737.817+219.637482*T-38.940488*T*LN(T)+35.466931E-3*T**2-19.869816E-6*T**3<NL> +159994*T**(-1); 453.60 Y<NL> -559733.123+10549.879893*T-1702.8886493*T*LN(T)+2258.329444E-3*T**2<NL> -571.066077E-6*T**3+33885874*T**(-1); 500.00 Y<NL> -9216.994+181.278285*T-31.2283718*T*LN(T)+2.633221E-3*T**2-0.438058E-6*T**3<NL> -102387*T**(-1); 3000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_LU 298.15<NL> -8788.329+146.536283*T-29.812*T*LN(T)+5.19165E-3*T**2-1.790717E-6*T**3<NL> +39723*T**(-1); 700.00 Y<NL> -9043.057+142.327643*T-29.0095*T*LN(T)+3.71416E-3*T**2-1.50147E-6*T**3<NL> +141549*T**(-1); 1700.00 Y<NL> 6940.092-46.91844*T-1.83986*T*LN(T)-11.9001E-3*T**2; 1936.00 Y<NL> -404023.691+1829.379425*T-239.019502*T*LN(T)+41.800748E-3*T**2<NL> -1.661174E-6*T**3+124825465*T**(-1); 3700.00 N !
FUNCTION SGTE_LIQUID_ELEM_LU 298.15<NL> 3983.791+141.5374*T-29.812*T*LN(T)+5.19165E-3*T**2-1.790717E-6*T**3<NL> +39723*T**(-1); 600.00 Y<NL> 30389.863-198.378793*T+20.9392663*T*LN(T)-34.238743E-3*T**2+2.890636E-6*T**3<NL> -2398650*T**(-1); 1936.00 Y<NL> -18994.687+292.091104*T-47.9068*T*LN(T); 3700.00 N !
FUNCTION SGTE_HCP_A3_ELEM_MG 298.15<NL> -8367.34+143.675547*T-26.1849782*T*LN(T)+0.4858E-3*T**2-1.393669E-6*T**3<NL> +78950*T**(-1); 923.00 Y<NL> -14130.185+204.716215*T-34.3088*T*LN(T)+1038.192E25*T**(-9); 3000.00 N !
FUNCTION SGTE_HCP_ZN_ELEM_MG 298.15<NL> -8267.34+143.675547*T-26.1849782*T*LN(T)+0.4858E-3*T**2-1.393669E-6*T**3<NL> +78950*T**(-1); 923.00 Y<NL> -14030.185+204.716215*T-34.3088*T*LN(T)+1038.192E25*T**(-9); 3000.00 N !
FUNCTION SGTE_LIQUID_ELEM_MG 298.15<NL> -165.097+134.838617*T-26.1849782*T*LN(T)+0.4858E-3*T**2-1.393669E-6*T**3<NL> +78950*T**(-1)-80.176E-21*T**7; 923.00 Y<NL> -5439.869+195.324057*T-34.3088*T*LN(T); 3000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_MG 298.15<NL> -5767.34+142.775547*T-26.1849782*T*LN(T)+0.4858E-3*T**2-1.393669E-6*T**3<NL> +78950*T**(-1); 923.00 Y<NL> -11530.185+203.816215*T-34.3088*T*LN(T)+1038.192E25*T**(-9); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_MG 298.15<NL> -5267.34+141.575547*T-26.1849782*T*LN(T)+0.4858E-3*T**2-1.393669E-6*T**3<NL> +78950*T**(-1); 923.00 Y<NL> -11030.185+202.616215*T-34.3088*T*LN(T)+1038.192E25*T**(-9); 3000.00 N !
FUNCTION SGTE_CBCC_A12_ELEM_MG 298.15<NL> -3764.94+140.664547*T-26.1849782*T*LN(T)+0.4858E-3*T**2-1.393669E-6*T**3<NL> +78950*T**(-1); 923.00 Y<NL> -9527.785+201.705215*T-34.3088*T*LN(T)+1038.192E25*T**(-9); 3000.00 N !
FUNCTION SGTE_CUB_A13_ELEM_MG 298.15<NL> -3367.34+140.675547*T-26.1849782*T*LN(T)+0.4858E-3*T**2-1.393669E-6*T**3<NL> +78950*T**(-1); 923.00 Y<NL> -9130.185+201.716215*T-34.3088*T*LN(T)+1038.192E25*T**(-9); 3000.00 N !
FUNCTION SGTE_CBCC_A12_ELEM_MN 298.15<NL> -8115.28+130.059*T-23.4582*T*LN(T)-7.34768E-3*T**2+69827*T**(-1); 1519.00 Y<NL> -28733.41+312.2648*T-48*T*LN(T)+1656.847E27*T**(-9); 2000.00 N !
PARAMETER TC(CBCC_A12,ELEM_MN;0) 298.15 -285.00; 2000.00 N !
PARAMETER BM(CBCC_A12,ELEM_MN;0) 298.15 -0.66; 2000.00 N !
FUNCTION SGTE_CUB_A13_ELEM_MN 298.15<NL> -5800.4+135.995*T-24.8785*T*LN(T)-5.83359E-3*T**2+70269*T**(-1); 1519.00 Y<NL> -28290.76+311.2933*T-48*T*LN(T)+396.757E28*T**(-9); 2000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_MN 298.15<NL> -3439.3+131.884*T-24.5177*T*LN(T)-6E-3*T**2+69600*T**(-1); 1519.00 Y<NL> -26070.1+309.6664*T-48*T*LN(T)+386.196E28*T**(-9); 2000.00 N !
PARAMETER TC(FCC_A1,ELEM_MN;0) 298.15 -1620.00; 2000.00 N !
PARAMETER BM(FCC_A1,ELEM_MN;0) 298.15 -1.86; 2000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_MN 298.15<NL> -3235.3+127.85*T-23.7*T*LN(T)-7.44271E-3*T**2+60000*T**(-1); 1519.00 Y<NL> -23188.83+307.7043*T-48*T*LN(T)+1265.152E27*T**(-9); 2000.00 N !
PARAMETER TC(BCC_A2,ELEM_MN;0) 298.15 -580.00; 2000.00 N !
PARAMETER BM(BCC_A2,ELEM_MN;0) 298.15 -0.27; 2000.00 N !
FUNCTION SGTE_LIQUID_ELEM_MN 298.15<NL> 9744.63+117.4382*T-23.4582*T*LN(T)-7.34768E-3*T**2+69827*T**(-1)<NL> -441.929E-23*T**7; 1519.00 Y<NL> -9993.9+299.036*T-48*T*LN(T); 2000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_MN 298.15<NL> -4439.3+133.007*T-24.5177*T*LN(T)-6E-3*T**2+69600*T**(-1); 1519.00 Y<NL> -27070.1+310.7894*T-48*T*LN(T)+386.196E28*T**(-9); 2000.00 N !
PARAMETER TC(HCP_A3,ELEM_MN;0) 298.15 -1620.00; 2000.00 N !
PARAMETER BM(HCP_A3,ELEM_MN;0) 298.15 -1.86; 2000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_MO 298.15<NL> -7746.302+131.9197*T-23.56414*T*LN(T)-3.443396E-3*T**2+0.566283E-6*T**3<NL> +65812*T**(-1)-0.130927E-9*T**4; 2896.00 Y<NL> -30556.41+283.559746*T-42.63829*T*LN(T)-4849.315E30*T**(-9); 5000.00 N !
FUNCTION SGTE_LIQUID_ELEM_MO 298.15<NL> 34085.045+117.224788*T-23.56414*T*LN(T)-3.443396E-3*T**2+0.566283E-6*T**3<NL> +65812*T**(-1)-0.130927E-9*T**4+424.519E-24*T**7; 2896.00 Y<NL> 3538.963+271.6697*T-42.63829*T*LN(T); 5000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_MO 298.15<NL> 7453.698+132.5497*T-23.56414*T*LN(T)-3.443396E-3*T**2+0.566283E-6*T**3<NL> +65812*T**(-1)-0.130927E-9*T**4; 2896.00 Y<NL> -15356.41+284.189746*T-42.63829*T*LN(T)-4849.315E30*T**(-9); 5000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_MO 298.15<NL> 3803.698+131.9197*T-23.56414*T*LN(T)-3.443396E-3*T**2+0.566283E-6*T**3<NL> +65812*T**(-1)-0.130927E-9*T**4; 2896.00 Y<NL> -19006.41+283.559746*T-42.63829*T*LN(T)-4849.315E30*T**(-9); 5000.00 N !<NL> FUNCTION GHSERNN 298.15<NL> -3750.675-9.45425*T-12.7819*T*LN(T)-1.76686E-3*T**2+0.002681E-6*T**3<NL> -32374*T**(-1); 950.00 Y<NL> -7358.85+17.2003*T-16.3699*T*LN(T)-0.65107E-3*T**2+0.030097E-6*T**3<NL> +563070*T**(-1); 3350.00 Y<NL> -16392.8+50.26*T-20.4695*T*LN(T)+0.239754E-3*T**2-0.008333E-6*T**3<NL> +4596375*T**(-1); 6000.00 N !
PARAMETER G(GAS,N2;0) 298.15 2*GHSERNN; 6000 N !
FUNCTION SGTE_LIQUID_ELEM_N 298.15<NL> 26199.325+49.56575*T-12.7819*T*LN(T)-1.76686E-3*T**2+0.002681E-6*T**3<NL> -32374*T**(-1); 950.00 Y<NL> 22591.15+76.2203*T-16.3699*T*LN(T)-0.65107E-3*T**2+0.030097E-6*T**3<NL> +563070*T**(-1); 3350.00 Y<NL> 13557.2+109.28*T-20.4695*T*LN(T)+0.239754E-3*T**2-0.008333E-6*T**3<NL> +4596375*T**(-1); 6000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_NA 200.00<NL> -11989.434+260.548732*T-51.0393608*T*LN(T)+72.306633E-3*T**2<NL> -43.638283E-6*T**3+132154*T**(-1); 370.87 Y<NL> -11009.884+199.619999*T-38.1198801*T*LN(T)+9.745854E-3*T**2-1.70664E-6*T**3<NL> +34342*T**(-1)+165.071E21*T**(-9); 2300.00 N !
FUNCTION SGTE_LIQUID_ELEM_NA 200.00<NL> -9408.414+253.596552*T-51.0393608*T*LN(T)+72.306633E-3*T**2-43.638283E-6*T**3<NL> +132154*T**(-1)-276.132E-20*T**7; 370.87 Y<NL> -8400.44+192.587343*T-38.1198801*T*LN(T)+9.745854E-3*T**2-1.70664E-6*T**3<NL> +34342*T**(-1); 2300.00 N !
FUNCTION SGTE_HCP_A3_ELEM_NA 200.00<NL> -12093.434+262.548732*T-51.0393608*T*LN(T)+72.306633E-3*T**2<NL> -43.638283E-6*T**3+132154*T**(-1); 370.87 Y<NL> -11113.884+201.619999*T-38.1198801*T*LN(T)+9.745854E-3*T**2-1.70664E-6*T**3<NL> +34342*T**(-1)+165.071E21*T**(-9); 2300.00 N !
FUNCTION SGTE_FCC_A1_ELEM_NA 200.00<NL> -12039.434+261.848732*T-51.0393608*T*LN(T)+72.306633E-3*T**2<NL> -43.638283E-6*T**3+132154*T**(-1); 370.87 Y<NL> -11059.884+200.919999*T-38.1198801*T*LN(T)+9.745854E-3*T**2-1.70664E-6*T**3<NL> +34342*T**(-1)+165.071E21*T**(-9); 2300.00 N !
FUNCTION SGTE_BCC_A2_ELEM_NB 298.15<NL> -8519.353+142.045475*T-26.4711*T*LN(T)+0.203475E-3*T**2-0.35012E-6*T**3<NL> +93399*T**(-1); 2750.00 Y<NL> -37669.3+271.720843*T-41.77*T*LN(T)+1528.238E29*T**(-9); 6000.00 N !
FUNCTION SGTE_LIQUID_ELEM_NB 298.15<NL> 21262.202+131.229057*T-26.4711*T*LN(T)+0.203475E-3*T**2-0.35012E-6*T**3<NL> +93399*T**(-1)-306.098E-25*T**7; 2750.00 Y<NL> -7499.398+260.756148*T-41.77*T*LN(T); 6000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_NB 298.15<NL> 4980.647+143.745475*T-26.4711*T*LN(T)+0.203475E-3*T**2-0.35012E-6*T**3<NL> +93399*T**(-1); 2750.00 Y<NL> -24169.3+273.420843*T-41.77*T*LN(T)+1528.238E29*T**(-9); 6000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_NB 298.15<NL> 1480.647+144.445475*T-26.4711*T*LN(T)+0.203475E-3*T**2-0.35012E-6*T**3<NL> +93399*T**(-1); 2750.00 Y<NL> -27669.3+274.120843*T-41.77*T*LN(T)+1528.238E29*T**(-9); 6000.00 N !
FUNCTION SGTE_DHCP_ELEM_ND 298.15<NL> -8402.93+111.10239*T-27.0858*T*LN(T)+0.556125E-3*T**2-2.6923E-6*T**3<NL> +34887*T**(-1); 900.00 Y<NL> -6984.083+83.662617*T-22.7536*T*LN(T)-4.20402E-3*T**2-1.802E-6*T**3; 1128.00 Y<NL> -225610.846+1673.040749*T-238.1828733*T*LN(T)+78.615997E-3*T**2<NL> -6.048207E-6*T**3+38810350*T**(-1); 1799.00 Y<NL> -25742.331+276.257088*T-48.7854*T*LN(T); 1800.00 N !
FUNCTION SGTE_BCC_A2_ELEM_ND 298.15<NL> -6965.635+110.556109*T-27.0858*T*LN(T)+0.556125E-3*T**2-2.6923E-6*T**3<NL> +34887*T**(-1); 400.00 Y<NL> 7312.2-153.033976*T+14.9956777*T*LN(T)-50.479E-3*T**2+7.287217E-6*T**3<NL> -831810*T**(-1); 1128.00 Y<NL> -18030.266+239.677322*T-44.5596*T*LN(T); 1289.00 Y<NL> 334513.017-2363.919899*T+311.409193*T*LN(T)-156.030778E-3*T**2<NL> +12.408421E-6*T**3-64319604*T**(-1); 1800.00 N !
FUNCTION SGTE_LIQUID_ELEM_ND 298.15<NL> -3351.187+109.517314*T-27.0858*T*LN(T)+0.556125E-3*T**2-2.6923E-6*T**3<NL> +34887*T**(-1); 300.00 Y<NL> 5350.01-86.593963*T+5.357301*T*LN(T)-46.955463E-3*T**2+6.860782E-6*T**3<NL> -374380*T**(-1); 1128.00 Y<NL> -16335.232+268.625903*T-48.7854*T*LN(T); 1800.00 N !
FUNCTION SGTE_FCC_A1_ELEM_ND 298.15<NL> -7902.93+111.10239*T-27.0858*T*LN(T)+0.556125E-3*T**2-2.6923E-6*T**3<NL> +34887*T**(-1); 900.00 Y<NL> -6484.083+83.662617*T-22.7536*T*LN(T)-4.20402E-3*T**2-1.802E-6*T**3; 1128.00 Y<NL> -225110.846+1673.04075*T-238.182873*T*LN(T)+78.615997E-3*T**2-6.048207E-6*T**3<NL> +38810350*T**(-1); 1799.00 Y<NL> -25242.331+276.257088*T-48.7854*T*LN(T); 1800.00 N !
FUNCTION SGTE_HCP_A3_ELEM_ND 298.15<NL> -6902.93+110.6866645*T-27.0858*T*LN(T)+0.556125E-3*T**2-2.6923E-6*T**3<NL> +34887*T**(-1); 900.00 Y<NL> -5484.083+83.2468915*T-22.7536*T*LN(T)-4.20402E-3*T**2-1.802E-6*T**3; 1128.00 Y<NL> -224110.846+1672.625024*T-238.1828733*T*LN(T)+78.615997E-3*T**2<NL> -6.048207E-6*T**3+38810350*T**(-1); 1799.00 Y<NL> -24242.331+275.8413625*T-48.7854*T*LN(T); 1800.00 N !
FUNCTION SGTE_FCC_A1_ELEM_NI 298.15<NL> -5179.159+117.854*T-22.096*T*LN(T)-4.8407E-3*T**2; 1728.00 Y<NL> -27840.655+279.135*T-43.1*T*LN(T)+1127.54E28*T**(-9); 3000.00 N !
PARAMETER TC(FCC_A1,ELEM_NI;0) 298.15 633.00; 3000.00 N !
PARAMETER BM(FCC_A1,ELEM_NI;0) 298.15 0.52; 3000.00 N !
FUNCTION SGTE_LIQUID_ELEM_NI 298.15<NL> 11235.527+108.457*T-22.096*T*LN(T)-4.8407E-3*T**2-382.318E-23*T**7; 1728.00 Y<NL> -9549.775+268.598*T-43.1*T*LN(T); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_NI 298.15<NL> 3535.925+114.298*T-22.096*T*LN(T)-4.8407E-3*T**2; 1728.00 Y<NL> -19125.571+275.579*T-43.1*T*LN(T)+1127.54E28*T**(-9); 3000.00 N !
PARAMETER TC(BCC_A2,ELEM_NI;0) 298.15 575.00; 3000.00 N !
PARAMETER BM(BCC_A2,ELEM_NI;0) 298.15 0.85; 3000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_NI 298.15<NL> -4133.159+119.109*T-22.096*T*LN(T)-4.8407E-3*T**2; 1728.00 Y<NL> -26794.655+280.39*T-43.1*T*LN(T)+1127.54E28*T**(-9); 3000.00 N !
FUNCTION SGTE_CUB_A13_ELEM_NI 298.15<NL> -3087.159+117.854*T-22.096*T*LN(T)-4.8407E-3*T**2; 1728.00 Y<NL> -25748.655+279.135*T-43.1*T*LN(T)+1127.54E28*T**(-9); 3000.00 N !
FUNCTION SGTE_CBCC_A12_ELEM_NI 298.15<NL> -1623.159+117.854*T-22.096*T*LN(T)-4.8407E-3*T**2; 1728.00 Y<NL> -24284.655+279.135*T-43.1*T*LN(T)+1127.54E28*T**(-9); 3000.00 N !
FUNCTION SGTE_ORTHO_AC_ELEM_NP 298.15<NL> 241.888-57.531347*T+4.0543*T*LN(T)-41.27725E-3*T**2-402857*T**(-1); 553.00 Y<NL> -57015.112+664.27337*T-102.523*T*LN(T)+28.4592E-3*T**2-2.483917E-6*T**3<NL> +4796910*T**(-1); 1799.00 Y<NL> -12092.736+255.780866*T-45.3964*T*LN(T); 4000.00 N !
FUNCTION SGTE_TETRAG_AD_ELEM_NP 298.15<NL> -10157.32+183.829213*T-34.11*T*LN(T)-16.1186E-3*T**2+4.98465E-6*T**3<NL> +532825*T**(-1); 555.00 Y<NL> -7873.688+207.01896*T-39.33*T*LN(T); 856.00 Y<NL> 19027.98-46.64846*T-3.4265*T*LN(T)-19.21045E-3*T**2+1.52726E-6*T**3<NL> -3564640*T**(-1); 1999.00 Y<NL> -16070.82+256.707037*T-45.3964*T*LN(T); 4000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_NP 298.15<NL> -3224.664+174.911817*T-35.177*T*LN(T)-2.51865E-3*T**2+0.514743E-6*T**3<NL> +302225*T**(-1); 856.00 Y<NL> -2366.486+180.807719*T-36.401*T*LN(T); 917.00 Y<NL> 50882.281-297.324358*T+30.7734*T*LN(T)-34.3483E-3*T**2+2.707217E-6*T**3<NL> -7500100*T**(-1); 1999.00 Y<NL> -14879.686+254.773087*T-45.3964*T*LN(T); 4000.00 N !
FUNCTION SGTE_LIQUID_ELEM_NP 298.15<NL> -4627.18+160.024959*T-31.229*T*LN(T)-16.3885E-3*T**2+2.941883E-6*T**3<NL> +439915*T**(-1); 917.00 Y<NL> -7415.255+247.671446*T-45.3964*T*LN(T); 4000.00 N !<NL> FUNCTION GHSEROO 298.15<NL> -3480.87-25.503038*T-11.1355*T*LN(T)-5.098875E-3*T**2+0.661845833E-6*T**3<NL> -38365*T**(-1); 1000.00 Y<NL> -6568.763+12.659879*T-16.8138*T*LN(T)-0.5957975E-3*T**2+0.006781E-6*T**3<NL> +262905*T**(-1); 3300.00 Y<NL> -13986.728+31.259624*T-18.9536*T*LN(T)-0.425243E-3*T**2+0.010721E-6*T**3<NL> +4383200*T**(-1); 6000.00 N !
PARAMETER G(GAS,O2;0) 298.15 2*GHSEROO; 6000 N !
FUNCTION SGTE_LIQUID_ELEM_O 298.15<NL> -6129.77+5.936962*T-11.1355*T*LN(T)-5.098875E-3*T**2+0.661845833E-6*T**3<NL> -38365*T**(-1); 1000.00 Y<NL> -9217.663+44.099879*T-16.8138*T*LN(T)-0.5957975E-3*T**2+0.006781E-6*T**3<NL> +262905*T**(-1); 3300.00 Y<NL> -16635.628+62.699624*T-18.9536*T*LN(T)-0.425243E-3*T**2+0.010721E-6*T**3<NL> +4383200*T**(-1); 6000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_O 298.15<NL> 26519.13-25.503038*T-11.1355*T*LN(T)-5.098875E-3*T**2+0.661845833E-6*T**3<NL> -38365*T**(-1); 1000.00 Y<NL> 23431.237+12.659879*T-16.8138*T*LN(T)-0.5957975E-3*T**2+0.006781E-6*T**3<NL> +262905*T**(-1); 3300.00 Y<NL> 16013.272+31.259624*T-18.9536*T*LN(T)-0.425243E-3*T**2+0.010721E-6*T**3<NL> +4383200*T**(-1); 6000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_O 298.15<NL> 26519.13-25.503038*T-11.1355*T*LN(T)-5.098875E-3*T**2+0.661845833E-6*T**3<NL> -38365*T**(-1); 1000.00 Y<NL> 23431.237+12.659879*T-16.8138*T*LN(T)-0.5957975E-3*T**2+0.006781E-6*T**3<NL> +262905*T**(-1); 3300.00 Y<NL> 16013.272+31.259624*T-18.9536*T*LN(T)-0.425243E-3*T**2+0.010721E-6*T**3<NL> +4383200*T**(-1); 6000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_OS 298.15<NL> -7196.978+126.369531*T-23.5710242*T*LN(T)-1.90427E-3*T**2; 3306.00 Y<NL> 644910.07-1935.213696*T+224.9980343*T*LN(T)-42.489827E-3*T**2+1.173861E-6*T**3<NL> -312569031*T**(-1); 5500.00 N !
FUNCTION SGTE_LIQUID_ELEM_OS 298.15<NL> 29263.192+117.895788*T-23.5710242*T*LN(T)-1.90427E-3*T**2; 1000.00 Y<NL> 68715.318-198.324341*T+19.9382156*T*LN(T)-20.464464E-3*T**2+1.014279E-6*T**3<NL> -6237261*T**(-1); 3306.00 Y<NL> -15903.192+336.874526*T-50*T*LN(T); 5500.00 N !
FUNCTION SGTE_FCC_A1_ELEM_OS 298.15<NL> 5803.022+123.869531*T-23.5710242*T*LN(T)-1.90427E-3*T**2; 3306.00 Y<NL> 657910.07-1937.713696*T+224.9980343*T*LN(T)-42.489827E-3*T**2+1.173861E-6*T**3<NL> -312569031*T**(-1); 5500.00 N !
FUNCTION SGTE_BCC_A2_ELEM_OS 298.15<NL> 20303.022+121.969531*T-23.5710242*T*LN(T)-1.90427E-3*T**2; 3306.00 Y<NL> 672410.07-1939.613696*T+224.9980343*T*LN(T)-42.489827E-3*T**2+1.173861E-6*T**3<NL> -312569031*T**(-1); 5500.00 N !
FUNCTION SGTE_WHITE_P_ELEM_P 250.00<NL> -43821.799+1026.693886*T-178.426*T*LN(T)+290.708E-3*T**2-104.022667E-6*T**3<NL> +1632695*T**(-1); 317.30 Y<NL> -9587.448+152.341487*T-28.7335301*T*LN(T)+1.715669E-3*T**2-0.22829E-6*T**3<NL> +172966*T**(-1); 1000.00 Y<NL> -8093.075+135.876831*T-26.326*T*LN(T); 3000.00 N !
FUNCTION SGTE_LIQUID_ELEM_P 250.00<NL> -26316.111+434.930931*T-70.7440584*T*LN(T)-2.898936E-3*T**2+39.049371E-6*T**3<NL> +1141147*T**(-1); 317.30 Y<NL> -7232.449+133.291873*T-26.326*T*LN(T); 3000.00 N !
FUNCTION SGTE_RED_P_ELEM_P 250.00<NL> -25976.559+148.672002*T-25.55*T*LN(T)+3.4121E-3*T**2-2.418867E-6*T**3<NL> +160095*T**(-1); 500.00 Y<NL> -21723.721+77.671737*T-14.368*T*LN(T)-9.57685E-3*T**2+0.393917E-6*T**3<NL> -141375*T**(-1); 852.35 Y<NL> -119408.413+1026.02962*T-149.4495562*T*LN(T)+67.272364E-3*T**2<NL> -6.651929E-6*T**3+12495943*T**(-1); 1500.00 Y<NL> -24524.119+153.839181*T-26.326*T*LN(T); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_P 250.00<NL> 18792.241+135.412002*T-25.55*T*LN(T)+3.4121E-3*T**2-2.418867E-6*T**3<NL> +160095*T**(-1); 500.00 Y<NL> 23045.079+64.411737*T-14.368*T*LN(T)-9.57685E-3*T**2+0.393917E-6*T**3<NL> -141375*T**(-1); 852.35 Y<NL> -74639.613+1012.76962*T-149.4495562*T*LN(T)+67.272364E-3*T**2<NL> -6.651929E-6*T**3+12495943*T**(-1); 1500.00 Y<NL> 20244.681+140.579181*T-26.326*T*LN(T); 3000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_P 250.00<NL> 10842.441+135.534002*T-25.55*T*LN(T)+3.4121E-3*T**2-2.418867E-6*T**3<NL> +160095*T**(-1); 500.00 Y<NL> 15095.279+64.533737*T-14.368*T*LN(T)-9.57685E-3*T**2+0.393917E-6*T**3<NL> -141375*T**(-1); 852.35 Y<NL> -82589.413+1012.89162*T-149.4495562*T*LN(T)+67.272364E-3*T**2<NL> -6.651929E-6*T**3+12495943*T**(-1); 1500.00 Y<NL> 12294.881+140.701181*T-26.326*T*LN(T); 3000.00 N !
FUNCTION SGTE_RHOMBOHEDRAL_A7_ELEM_P 250.00<NL> -44009.799+1026.819156*T-178.426*T*LN(T)+290.708E-3*T**2-104.022667E-6*T**3<NL> +1632695*T**(-1); 317.30 Y<NL> -9775.448+152.466757*T-28.7335301*T*LN(T)+1.715669E-3*T**2-0.22829E-6*T**3<NL> +172966*T**(-1); 1000.00 Y<NL> -8281.075+136.002101*T-26.326*T*LN(T); 3000.00 N !
FUNCTION SGTE_BCT_AA_ELEM_PA 298.15<NL> -7681.561+111.973215*T-23.9116*T*LN(T)-6.21325E-3*T**2; 1443.00 Y<NL> 27955.763-177.320253*T+16.305*T*LN(T)-26.3416E-3*T**2+1.884933E-6*T**3<NL> -5908900*T**(-1); 2176.00 Y<NL> -29949.683+288.308639*T-47.2792*T*LN(T); 4000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_PA 298.15<NL> 781.847+71.957409*T-18.203*T*LN(T)-13.22095E-3*T**2+1.337387E-6*T**3<NL> -101600*T**(-1); 1443.00 Y<NL> -10955.948+220.478519*T-39.748*T*LN(T); 1845.00 Y<NL> 284495.194-1397.150521*T+171.108*T*LN(T)-63.7105E-3*T**2+3.343867E-6*T**3<NL> -74992000*T**(-1); 2710.00 Y<NL> -27885.171+286.096187*T-47.2792*T*LN(T); 4000.00 N !
FUNCTION SGTE_LIQUID_ELEM_PA 298.15<NL> 8499.539+102.429215*T-23.9116*T*LN(T)-6.21325E-3*T**2; 1088.00 Y<NL> 48013.96-278.789916*T+30.336*T*LN(T)-37.2478E-3*T**2+3.075017E-6*T**3<NL> -5064250*T**(-1); 1845.00 Y<NL> -12508.174+277.955437*T-47.2792*T*LN(T); 4000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_PB 298.15<NL> -7650.085+101.700244*T-24.5242231*T*LN(T)-3.65895E-3*T**2-0.24395E-6*T**3;<NL> 600.61 Y<NL> -10531.095+154.243182*T-32.4913959*T*LN(T)+1.54613E-3*T**2+805.448E23*T**(-9);<NL> 1200.00 Y<NL> 4157.616+53.139072*T-18.9640637*T*LN(T)-2.882943E-3*T**2+0.098144E-6*T**3<NL> -2696755*T**(-1)+805.448E23*T**(-9); 2100.00 N !
FUNCTION SGTE_LIQUID_ELEM_PB 298.15<NL> -2977.961+93.949561*T-24.5242231*T*LN(T)-3.65895E-3*T**2-0.24395E-6*T**3<NL> -60.19E-20*T**7; 600.61 Y<NL> -5677.958+146.176046*T-32.4913959*T*LN(T)+1.54613E-3*T**2; 1200.00 Y<NL> 9010.753+45.071937*T-18.9640637*T*LN(T)-2.882943E-3*T**2+0.098144E-6*T**3<NL> -2696755*T**(-1); 2100.00 N !
FUNCTION SGTE_BCT_A5_ELEM_PB 298.15<NL> -7161.085+105.220244*T-24.5242231*T*LN(T)-3.65895E-3*T**2-0.24395E-6*T**3;<NL> 600.61 Y<NL> -10042.095+157.763182*T-32.4913959*T*LN(T)+1.54613E-3*T**2+805.448E23*T**(-9);<NL> 1200.00 Y<NL> 4646.616+56.659072*T-18.9640637*T*LN(T)-2.882943E-3*T**2+0.098144E-6*T**3<NL> -2696755*T**(-1)+805.448E23*T**(-9); 2100.00 N !
FUNCTION SGTE_HCP_A3_ELEM_PB 298.15<NL> -7350.085+102.700244*T-24.5242231*T*LN(T)-3.65895E-3*T**2-0.24395E-6*T**3;<NL> 600.61 Y<NL> -10231.095+155.243182*T-32.4913959*T*LN(T)+1.54613E-3*T**2+805.448E23*T**(-9);<NL> 1200.00 Y<NL> 4457.616+54.139072*T-18.9640637*T*LN(T)-2.882943E-3*T**2+0.098144E-6*T**3<NL> -2696755*T**(-1)+805.448E23*T**(-9); 2100.00 N !
FUNCTION SGTE_BCC_A2_ELEM_PB 298.15<NL> -5250.085+100.600244*T-24.5242231*T*LN(T)-3.65895E-3*T**2-0.24395E-6*T**3;<NL> 600.61 Y<NL> -8131.095+153.143182*T-32.4913959*T*LN(T)+1.54613E-3*T**2+805.448E23*T**(-9);<NL> 1200.00 Y<NL> 6557.616+52.039072*T-18.9640637*T*LN(T)-2.882943E-3*T**2+0.098144E-6*T**3<NL> -2696755*T**(-1)+805.448E23*T**(-9); 2100.00 N !
FUNCTION SGTE_TET_ALPHA1_ELEM_PB 298.15<NL> -5746.785+99.640044*T-24.5242231*T*LN(T)-3.65895E-3*T**2-0.24395E-6*T**3;<NL> 600.61 Y<NL> -8627.795+152.182982*T-32.4913959*T*LN(T)+1.54613E-3*T**2+805.448E23*T**(-9);<NL> 1200.00 Y<NL> 6060.916+51.078872*T-18.9640637*T*LN(T)-2.882943E-3*T**2+0.098144E-6*T**3<NL> -2696755*T**(-1)+805.448E23*T**(-9); 2100.00 N !
FUNCTION SGTE_RHOMBOHEDRAL_A7_ELEM_PB 298.15<NL> -7350.085+102.700244*T-24.5242231*T*LN(T)-3.65895E-3*T**2-0.24395E-6*T**3;<NL> 600.61 Y<NL> -10231.095+155.243182*T-32.4913959*T*LN(T)+1.54613E-3*T**2+805.448E23*T**(-9);<NL> 1200.00 Y<NL> 4457.616+54.139072*T-18.9640637*T*LN(T)-2.882943E-3*T**2+0.098144E-6*T**3<NL> -2696755*T**(-1)+805.448E23*T**(-9); 2100.00 N !
FUNCTION SGTE_TETRAGONAL_A6_ELEM_PB 298.15<NL> -3156.85+101.700244*T-24.5242231*T*LN(T)-3.65895E-3*T**2-0.24395E-6*T**3;<NL> 600.61 Y<NL> -6037.86+154.243182*T-32.4913959*T*LN(T)+1.54613E-3*T**2+805.448E23*T**(-9);<NL> 1200.00 Y<NL> 8650.851+53.139072*T-18.9640637*T*LN(T)-2.882943E-3*T**2+0.098144E-6*T**3<NL> -2696755*T**(-1)+805.448E23*T**(-9); 2100.00 N !
FUNCTION SGTE_FCC_A1_ELEM_PD 298.15<NL> -10204.027+176.076315*T-32.211*T*LN(T)+7.120975E-3*T**2-1.919875E-6*T**3<NL> +168687*T**(-1); 900.00 Y<NL> 917.062+49.659892*T-13.5708*T*LN(T)-7.17522E-3*T**2+0.191115E-6*T**3<NL> -1112465*T**(-1); 1828.00 Y<NL> -67161.018+370.102147*T-54.2067086*T*LN(T)+2.091396E-3*T**2-0.062811E-6*T**3<NL> +18683526*T**(-1); 4000.00 N !
FUNCTION SGTE_LIQUID_ELEM_PD 298.15<NL> 1302.731+170.964153*T-32.211*T*LN(T)+7.120975E-3*T**2-1.919875E-6*T**3<NL> +168687*T**(-1); 600.00 Y<NL> 23405.778-116.918419*T+10.8922031*T*LN(T)-27.266568E-3*T**2+2.430675E-6*T**3<NL> -1853674*T**(-1); 1828.00 Y<NL> -12373.637+251.416903*T-41.17*T*LN(T); 4000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_PD 298.15<NL> 295.973+174.276315*T-32.211*T*LN(T)+7.120975E-3*T**2-1.919875E-6*T**3<NL> +168687*T**(-1); 900.00 Y<NL> 11417.062+47.859892*T-13.5708*T*LN(T)-7.17522E-3*T**2+0.191115E-6*T**3<NL> -1112465*T**(-1); 1828.00 Y<NL> -56661.018+368.302147*T-54.2067086*T*LN(T)+2.091396E-3*T**2-0.062811E-6*T**3<NL> +18683526*T**(-1); 4000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_PD 298.15<NL> -8204.027+176.176315*T-32.211*T*LN(T)+7.120975E-3*T**2-1.919875E-6*T**3<NL> +168687*T**(-1); 900.00 Y<NL> 2917.062+49.759892*T-13.5708*T*LN(T)-7.17522E-3*T**2+0.191115E-6*T**3<NL> -1112465*T**(-1); 1828.00 Y<NL> -65161.018+370.202147*T-54.2067086*T*LN(T)+2.091396E-3*T**2-0.062811E-6*T**3<NL> +18683526*T**(-1); 4000.00 N !
FUNCTION SGTE_DHCP_ELEM_PR 298.15<NL> -18803.379+356.587384*T-68.9176*T*LN(T)+72.929E-3*T**2-25.184333E-6*T**3<NL> +507385*T**(-1); 500.00 Y<NL> -7246.848+82.427384*T-22.8909*T*LN(T)-4.97126E-3*T**2-1.22951E-6*T**3;<NL> 800.00 Y<NL> 95411.023-1073.551114*T+146.764*T*LN(T)-128.8205E-3*T**2+15.592233E-6*T**3<NL> -11588800*T**(-1); 1068.00 Y<NL> -481663.131+4234.333112*T-606.1203107*T*LN(T)+305.181506E-3*T**2<NL> -30.994702E-6*T**3+70926840*T**(-1); 1204.00 Y<NL> -20014.678+227.685155*T-42.9697*T*LN(T); 3800.00 N !
FUNCTION SGTE_BCC_A2_ELEM_PR 298.15<NL> -2863.651+28.274853*T-13.7470527*T*LN(T)-22.84377E-3*T**2+3.542468E-6*T**3<NL> -87486*T**(-1); 1068.00 Y<NL> -11985.919+188.657121*T-38.451*T*LN(T); 1204.00 Y<NL> 953.224+100.826281*T-26.6824313*T*LN(T)-4.106833E-3*T**2+0.176214E-6*T**3<NL> -2473024*T**(-1); 3800.00 N !
FUNCTION SGTE_LIQUID_ELEM_PR 298.15<NL> 3848.961-29.099465*T-4.7344931*T*LN(T)-35.119723E-3*T**2+5.427467E-6*T**3<NL> -207406*T**(-1); 1068.00 Y<NL> -10539.574+219.508805*T-42.9697*T*LN(T); 3800.00 N !
FUNCTION SGTE_FCC_A1_ELEM_PT 298.15<NL> -7595.631+124.388275*T-24.5526*T*LN(T)-2.48297E-3*T**2-0.020138E-6*T**3<NL> +7974*T**(-1); 1300.00 Y<NL> -9253.174+161.529615*T-30.2527*T*LN(T)+2.321665E-3*T**2-0.656946E-6*T**3<NL> -272106*T**(-1); 2041.50 Y<NL> -222048.216+1019.358919*T-136.192996*T*LN(T)+20.454938E-3*T**2<NL> -0.759259E-6*T**3+71539020*T**(-1); 4000.00 N !
FUNCTION SGTE_LIQUID_ELEM_PT 298.15<NL> 12518.385+115.113092*T-24.5526*T*LN(T)-2.48297E-3*T**2-0.020138E-6*T**3<NL> +7974*T**(-1); 600.00 Y<NL> 19023.491+32.94182*T-12.3403769*T*LN(T)-11.551507E-3*T**2+0.931516E-6*T**3<NL> -601426*T**(-1); 2041.50 Y<NL> 1404.468+205.858962*T-36.5*T*LN(T); 4000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_PT 298.15<NL> 7404.369+121.988275*T-24.5526*T*LN(T)-2.48297E-3*T**2-0.020138E-6*T**3<NL> +7974*T**(-1); 1300.00 Y<NL> 5746.826+159.129615*T-30.2527*T*LN(T)+2.321665E-3*T**2-0.656946E-6*T**3<NL> -272106*T**(-1); 2041.50 Y<NL> -207048.216+1016.958919*T-136.192996*T*LN(T)+20.454938E-3*T**2<NL> -0.759259E-6*T**3+71539020*T**(-1); 4000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_PT 298.15<NL> -5095.631+124.488275*T-24.5526*T*LN(T)-2.48297E-3*T**2-0.020138E-6*T**3<NL> +7974*T**(-1); 1300.00 Y<NL> -6753.174+161.629615*T-30.2527*T*LN(T)+2.321665E-3*T**2-0.656946E-6*T**3<NL> -272106*T**(-1); 2041.50 Y<NL> -219548.216+1019.458919*T-136.192996*T*LN(T)+20.454938E-3*T**2<NL> -0.759259E-6*T**3+71539020*T**(-1); 4000.00 N !
FUNCTION SGTE_ALPHA_PU_ELEM_PU 298.15<NL> -7396.309+80.301382*T-18.1258*T*LN(T)-22.41E-3*T**2; 400.00 Y<NL> -16605.962+236.786603*T-42.4187*T*LN(T)-1.34493E-3*T**2+0.263443E-6*T**3<NL> +579325*T**(-1); 944.00 Y<NL> -14462.156+232.961553*T-42.248*T*LN(T); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_PU 298.15<NL> -1358.984+116.603882*T-27.094*T*LN(T)-9.105E-3*T**2+2.061667E-6*T**3<NL> +20863*T**(-1); 745.00 Y<NL> -2890.817+156.878957*T-33.72*T*LN(T); 956.00 Y<NL> 29313.619-132.788248*T+6.921*T*LN(T)-20.23305E-3*T**2+1.426922E-6*T**3<NL> -4469245*T**(-1); 2071.00 Y<NL> -15400.585+227.421855*T-42.248*T*LN(T); 3000.00 N !
FUNCTION SGTE_BETA_PU_ELEM_PU 298.15<NL> -4873.654+123.249151*T-27.416*T*LN(T)-6.53E-3*T**2; 679.50 Y<NL> 2435.094+43.566585*T-15.7351*T*LN(T)-15.4772E-3*T**2+1.524942E-6*T**3<NL> -864940*T**(-1); 1464.00 Y<NL> -13959.062+228.221615*T-42.248*T*LN(T); 3000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_PU 298.15<NL> -3920.781+127.586536*T-28.4781*T*LN(T)-5.4035E-3*T**2; 990.00 Y<NL> 3528.208+41.52572*T-15.7351*T*LN(T)-15.4772E-3*T**2+1.524942E-6*T**3<NL> -864940*T**(-1); 1464.00 Y<NL> -12865.948+226.18075*T-42.248*T*LN(T); 3000.00 N !
FUNCTION SGTE_GAMMA_PU_ELEM_PU 298.15<NL> -16766.303+419.402655*T-77.5802*T*LN(T)+81.6415E-3*T**2-28.103833E-6*T**3<NL> +574825*T**(-1); 487.90 Y<NL> -2942.77+88.325069*T-22.0233*T*LN(T)-11.4795E-3*T**2; 593.90 Y<NL> -9336.967+160.314641*T-32.3405*T*LN(T)-7.0383E-3*T**2+0.692887E-6*T**3<NL> +630600*T**(-1); 1179.00 Y<NL> -12435.75+226.131617*T-42.248*T*LN(T); 3000.00 N !
FUNCTION SGTE_LIQUID_ELEM_PU 298.15<NL> -788.209+67.788082*T-18.1258*T*LN(T)-22.41E-3*T**2; 400.00 Y<NL> -9997.862+224.273303*T-42.4187*T*LN(T)-1.34493E-3*T**2+0.263443E-6*T**3<NL> +579325*T**(-1); 944.00 Y<NL> -7854.056+220.448253*T-42.248*T*LN(T); 3000.00 N !
FUNCTION SGTE_TETRAGONAL_A6_ELEM_PU 298.15<NL> -496.178+54.586547*T-16.43*T*LN(T)-24.006E-3*T**2+5.166667E-6*T**3<NL> -158470*T**(-1); 736.00 Y<NL> -6122.307+173.35008*T-35.56*T*LN(T); 757.00 Y<NL> 3982.078+63.890352*T-19.756*T*LN(T)-9.37295E-3*T**2+0.659882E-6*T**3<NL> -1112565*T**(-1); 2157.00 Y<NL> -15200.539+228.05641*T-42.248*T*LN(T); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_RB 200.00<NL> -21669.733+583.580988*T-115.2825888*T*LN(T)+262.77612E-3*T**2<NL> -152.236932E-6*T**3+385754*T**(-1); 312.46 Y<NL> -7823.397+117.050578*T-29.1775424*T*LN(T)+0.412369E-3*T**2-0.46822E-6*T**3<NL> -126310*T**(-1)-555.029E20*T**(-9); 900.00 Y<NL> -39488.142+450.974149*T-77.7006456*T*LN(T)+33.795632E-3*T**2-4.829082E-6*T**3<NL> +3778006*T**(-1)-555.029E20*T**(-9); 1600.00 Y<NL> -159742.511+1287.789466*T-191.2627736*T*LN(T)+81.61687E-3*T**2<NL> -8.61653E-6*T**3+27738456*T**(-1)-555.029E20*T**(-9); 2100.00 N !
FUNCTION SGTE_LIQUID_ELEM_RB 200.00<NL> -19452.181+576.470502*T-115.2825888*T*LN(T)+262.77612E-3*T**2<NL> -152.236932E-6*T**3+385754*T**(-1)+144.078E-19*T**7; 312.46 Y<NL> -5650.532+110.090262*T-29.1775424*T*LN(T)+0.412369E-3*T**2-0.46822E-6*T**3<NL> -126310*T**(-1); 900.00 Y<NL> -37315.276+444.013833*T-77.7006456*T*LN(T)+33.795632E-3*T**2-4.829082E-6*T**3<NL> +3778006*T**(-1); 1600.00 Y<NL> -157569.646+1280.829151*T-191.2627736*T*LN(T)+81.61687E-3*T**2<NL> -8.61653E-6*T**3+27738456*T**(-1); 2100.00 N !
FUNCTION SGTE_HCP_A3_ELEM_RB 200.00<NL> -21469.733+585.580988*T-115.2825888*T*LN(T)+262.77612E-3*T**2<NL> -152.236932E-6*T**3+385754*T**(-1); 312.46 Y<NL> -7623.397+119.050578*T-29.1775424*T*LN(T)+0.412369E-3*T**2-0.46822E-6*T**3<NL> -126310*T**(-1)-555.029E20*T**(-9); 900.00 Y<NL> -39288.142+452.974149*T-77.7006456*T*LN(T)+33.795632E-3*T**2-4.829082E-6*T**3<NL> +3778006*T**(-1)-555.029E20*T**(-9); 1600.00 Y<NL> -159542.511+1289.789466*T-191.2627736*T*LN(T)+81.61687E-3*T**2<NL> -8.61653E-6*T**3+27738456*T**(-1)-555.029E20*T**(-9); 2100.00 N !
FUNCTION SGTE_FCC_A1_ELEM_RB 200.00<NL> -21469.733+584.880988*T-115.2825888*T*LN(T)+262.77612E-3*T**2<NL> -152.236932E-6*T**3+385754*T**(-1); 312.46 Y<NL> -7623.397+118.350578*T-29.1775424*T*LN(T)+0.412369E-3*T**2-0.46822E-6*T**3<NL> -126310*T**(-1)-555.029E20*T**(-9); 900.00 Y<NL> -39288.142+452.274149*T-77.7006456*T*LN(T)+33.795632E-3*T**2-4.829082E-6*T**3<NL> +3778006*T**(-1)-555.029E20*T**(-9); 1600.00 Y<NL> -159542.511+1289.089466*T-191.2627736*T*LN(T)+81.61687E-3*T**2<NL> -8.61653E-6*T**3+27738456*T**(-1)-555.029E20*T**(-9); 2100.00 N !
FUNCTION SGTE_HCP_A3_ELEM_RE 298.15<NL> -7695.279+128.421589*T-24.348*T*LN(T)<NL> -2.53505E-3*T**2+0.192818E-6*T**3+32915*T**(-1); 1200 Y<NL> -15775.998+194.667426*T-33.586*T*LN(T)+2.24565E-3*T**2-0.281835E-6*T**3<NL> +1376270*T**(-1); 2400 Y<NL> -70882.739+462.110749*T-67.956*T*LN(T)+11.84945E-3*T**2-0.788955E-6*T**3<NL> +18075200*T**(-1); 3458 Y<NL> 346325.888-1211.371859*T+140.8316548*T*LN(T)-33.764567E-3*T**2<NL> +1.053726E-6*T**3-134548866*T**(-1); 5000 Y<NL> -78564.296+346.997842*T-49.519*T*LN(T); 6000 N !
FUNCTION SGTE_LIQUID_ELEM_RE 298.15<NL> 16125.604+122.076209*T-24.348*T*LN(T)<NL> -2.53505E-3*T**2+0.192818E-6*T**3+32915*T**(-1); 1200 Y<NL> 8044.885+188.322047*T-33.586*T*LN(T)+2.24565E-3*T**2-0.281835E-6*T**3<NL> +1376270*T**(-1); 2000 Y<NL> 568842.665-2527.838455*T+314.1788975*T*LN(T)-89.39817E-3*T**2<NL> +3.92854E-6*T**3-163100987*T**(-1); 3458 Y<NL> -39044.888+335.723691*T-49.519*T*LN(T); 6000 N !
FUNCTION SGTE_BCC_A2_ELEM_RE 298.15<NL> 9304.721+124.721589*T-24.348*T*LN(T)<NL> -2.53505E-3*T**2+0.192818E-6*T**3+32915*T**(-1); 1200 Y<NL> 1224.002+190.967426*T-33.586*T*LN(T)+2.24565E-3*T**2-0.281835E-6*T**3<NL> +1376270*T**(-1); 2400 Y<NL> -53882.739+458.410749*T-67.956*T*LN(T)+11.84945E-3*T**2-0.788955E-6*T**3<NL> +18075200*T**(-1); 3458 Y<NL> 363325.888-1215.071859*T+140.8316548*T*LN(T)-33.764567E-3*T**2<NL> +1.053726E-6*T**3-134548866*T**(-1); 5000 Y<NL> -61564.296+343.297842*T-49.519*T*LN(T); 6000 N !
FUNCTION SGTE_FCC_A1_ELEM_RE 298.15<NL> 3304.721+126.921589*T-24.348*T*LN(T)-2.53505E-3*T**2+0.192818E-6*T**3<NL> +32915*T**(-1); 1200.00 Y<NL> -4775.998+193.167426*T-33.586*T*LN(T)+2.24565E-3*T**2-0.281835E-6*T**3<NL> +1376270*T**(-1); 2400.00 Y<NL> -59882.739+460.610749*T-67.956*T*LN(T)+11.84945E-3*T**2-0.788955E-6*T**3<NL> +18075200*T**(-1); 3458.00 Y<NL> 357325.888-1212.871859*T+140.8316548*T*LN(T)-33.764567E-3*T**2+1.053726E-6*T**3<NL> -134548866*T**(-1); 5000.00 Y<NL> -67564.296+345.497842*T-49.519*T*LN(T); 6000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_RH 298.15<NL> -7848.828+132.020923*T-24.0178336*T*LN(T)-3.424186E-3*T**2-0.168032E-6*T**3<NL> +55846*T**(-1); 1200.00 Y<NL> -28367.852+305.771019*T-48.3766632*T*LN(T)+9.66345E-3*T**2-1.512774E-6*T**3<NL> +3348162*T**(-1); 2237.00 Y<NL> -6237470.481+30151.634226*T-3874.2105805*T*LN(T)+1049.213607E-3*T**2<NL> -53.978814E-6*T**3+1880362184*T**(-1); 2450.00 Y<NL> -44863.489+344.889895*T-50.58456*T*LN(T); 2500.00 N !
FUNCTION SGTE_BCC_A2_ELEM_RH 298.15<NL> 11151.172+127.320923*T-24.0178336*T*LN(T)-3.424186E-3*T**2-0.168032E-6*T**3<NL> +55846*T**(-1); 1200.00 Y<NL> -9367.852+301.071019*T-48.3766632*T*LN(T)+9.66345E-3*T**2-1.512774E-6*T**3<NL> +3348162*T**(-1); 2237.00 Y<NL> -6218470.481+30146.934226*T-3874.2105805*T*LN(T)+1049.213607E-3*T**2<NL> -53.978814E-6*T**3+1880362184*T**(-1); 2450.00 Y<NL> -25863.489+340.189895*T-50.58456*T*LN(T); 2500.00 N !
FUNCTION SGTE_HCP_A3_ELEM_RH 298.15<NL> -4848.828+131.520923*T-24.0178336*T*LN(T)-3.424186E-3*T**2-0.168032E-6*T**3<NL> +55846*T**(-1); 1200.00 Y<NL> -25367.852+305.271019*T-48.3766632*T*LN(T)+9.66345E-3*T**2-1.512774E-6*T**3<NL> +3348162*T**(-1); 2237.00 Y<NL> -6234470.481+30151.134226*T-3874.2105805*T*LN(T)+1049.213607E-3*T**2<NL> -53.978814E-6*T**3+1880362184*T**(-1); 2450.00 Y<NL> -41863.489+344.389895*T-50.58456*T*LN(T); 2500.00 N !
FUNCTION SGTE_LIQUID_ELEM_RH 298.15<NL> 11244.082+125.099593*T-24.0178336*T*LN(T)-3.424186E-3*T**2-0.168032E-6*T**3<NL> +55846*T**(-1); 700.00 Y<NL> 35898.508-147.926418*T+15.6492377*T*LN(T)-28.665357E-3*T**2+2.100572E-6*T**3<NL> -2638940*T**(-1); 2237.00 Y<NL> -18208.54+332.974832*T-50.58456*T*LN(T); 2500.00 N !
FUNCTION SGTE_HCP_A3_ELEM_RU 298.15<NL> -7561.873+127.866233*T-22.9143287*T*LN(T)-4.062566E-3*T**2+0.17641E-6*T**3<NL> +56377*T**(-1); 1500.00 Y<NL> -59448.103+489.516214*T-72.3241219*T*LN(T)+18.726245E-3*T**2-1.952433E-6*T**3<NL> +11063885*T**(-1); 2607.00 Y<NL> -38588773.031+168610.517401*T-21329.7050475*T*LN(T)+5221.638997E-3*T**2<NL> -240.245985E-6*T**3+1308.2992629E7*T**(-1); 2740.00 Y<NL> -55768.304+364.482314*T-51.8816*T*LN(T); 4500.00 N !
FUNCTION SGTE_BCC_A2_ELEM_RU 298.15<NL> 13938.127+122.816233*T-22.9143287*T*LN(T)-4.062566E-3*T**2+0.17641E-6*T**3<NL> +56377*T**(-1); 1500.00 Y<NL> -37948.103+484.466214*T-72.3241219*T*LN(T)+18.726245E-3*T**2-1.952433E-6*T**3<NL> +11063885*T**(-1); 2607.00 Y<NL> -38567273.031+168605.467401*T-21329.7050475*T*LN(T)+5221.638997E-3*T**2<NL> -240.245985E-6*T**3+1308.2992629E7*T**(-1); 2740.00 Y<NL> -34268.304+359.432314*T-51.8816*T*LN(T); 4500.00 N !
FUNCTION SGTE_FCC_A1_ELEM_RU 298.15<NL> 4938.127+125.466233*T-22.9143287*T*LN(T)-4.062566E-3*T**2+0.17641E-6*T**3<NL> +56377*T**(-1); 1500.00 Y<NL> -46948.103+487.116214*T-72.3241219*T*LN(T)+18.726245E-3*T**2-1.952433E-6*T**3<NL> +11063885*T**(-1); 2607.00 Y<NL> -38576273.031+168608.117401*T-21329.7050475*T*LN(T)+5221.638997E-3*T**2<NL> -240.245985E-6*T**3+1308.2992629E7*T**(-1); 2740.00 Y<NL> -43268.304+362.082314*T-51.8816*T*LN(T); 4500.00 N !
FUNCTION SGTE_LIQUID_ELEM_RU 298.15<NL> 19918.743+119.467485*T-22.9143287*T*LN(T)-4.062566E-3*T**2+0.17641E-6*T**3<NL> +56377*T**(-1); 800.00 Y<NL> 50827.232-179.818561*T+19.539341*T*LN(T)-26.524167E-3*T**2+1.667839E-6*T**3<NL> -3861125*T**(-1); 2607.00 Y<NL> -17161.807+349.673561*T-51.8816*T*LN(T); 4500.00 N !
FUNCTION SGTE_ORTHORHOMBIC_S_ELEM_S 298.15<NL> -5198.294+53.913855*T-10.726*T*LN(T)<NL> -27.3801E-3*T**2+8.179537E-6*T**3; 368.3 Y<NL> -6475.706+94.182332*T-17.8693298*T*LN(T)-10.936877E-3*T**2+1.406467E-6*T**3<NL> +36871*T**(-1); 1300 Y<NL> -12485.546+188.304687*T-32*T*LN(T); 1301 N !
FUNCTION SGTE_MONOCLINIC_ELEM_S 298.15<NL> -5725.422+89.544275*T-17.413*T*LN(T)<NL> -9.93935E-3*T**2-0.070062E-6*T**3+1250*T**(-1); 388.36 Y<NL> -7455.008+114.782945*T-21.1531404*T*LN(T)-8.566163E-3*T**2+1.112484E-6*T**3<NL> +122167*T**(-1); 1300 Y<NL> -11779.415+186.699065*T-32*T*LN(T); 1301 N !
FUNCTION SGTE_LIQUID_ELEM_S 298.15<NL> -4196.575+85.63027*T-17.413*T*LN(T)<NL> -9.93935E-3*T**2-0.070062E-6*T**3+1250*T**(-1); 335 Y<NL> 1790361.982-44195.451432*T+7511.6194258*T*LN(T)-13985.517511E-3*T**2<NL> +4838.738601E-6*T**3-79880891*T**(-1); 388.36 Y<NL> -876313.954+23366.872986*T-4028.756*T*LN(T)+7954.595E-3*T**2<NL> -2908.513333E-6*T**3+33980035*T**(-1); 432.25 Y<NL> 454088.687-7814.670231*T+1237.001*T*LN(T)-1560.7295E-3*T**2+359.883667E-6*T**3<NL> -31765395*T**(-1); 500 Y<NL> 18554.561-144.895285*T+16.535*T*LN(T)-45.4119E-3*T**2+8.327402E-6*T**3<NL> -2705030*T**(-1); 700 Y<NL> 21243.126-113.298877*T+9.944*T*LN(T)-28.8384E-3*T**2+3.791365E-6*T**3<NL> -3507570*T**(-1); 900 Y<NL> 16117.849-32.79523*T-2.425*T*LN(T)-17.12545E-3*T**2+1.84974E-6*T**3<NL> -3215170*T**(-1); 1300 Y<NL> -6461.814+175.590536*T-32*T*LN(T); 1301 N !
FUNCTION SGTE_BCC_A2_ELEM_S 298.15<NL> 99801.706+53.913855*T-10.726*T*LN(T)<NL> -27.3801E-3*T**2+8.179537E-6*T**3; 368.3 Y<NL> 98524.294+94.182332*T-17.8693298*T*LN(T)-10.936877E-3*T**2+1.406467E-6*T**3<NL> +36871*T**(-1); 1300 Y<NL> 92514.454+188.304687*T-32*T*LN(T); 1301 N !
FUNCTION SGTE_FCC_A1_ELEM_S 298.15<NL> 99801.706+53.913855*T-10.726*T*LN(T)<NL> -27.3801E-3*T**2+8.179537E-6*T**3; 368.3 Y<NL> 98524.294+94.182332*T-17.8693298*T*LN(T)-10.936877E-3*T**2+1.406467E-6*T**3<NL> +36871*T**(-1); 1300 Y<NL> 92514.454+188.304687*T-32*T*LN(T); 1301 N !
FUNCTION SGTE_RHOMBOHEDRAL_A7_ELEM_SB 298.15<NL> -9242.858+156.154689*T-30.5130752*T*LN(T)+7.748768E-3*T**2-3.003415E-6*T**3<NL> +100625*T**(-1); 903.78 Y<NL> -11738.83+169.485872*T-31.38*T*LN(T)+1616.849E24*T**(-9); 2000.00 N !
FUNCTION SGTE_LIQUID_ELEM_SB 298.15<NL> 10579.47+134.231525*T-30.5130752*T*LN(T)+7.748768E-3*T**2-3.003415E-6*T**3<NL> +100625*T**(-1)-174.847E-22*T**7; 903.78 Y<NL> 8175.359+147.455986*T-31.38*T*LN(T); 2000.00 N !
FUNCTION SGTE_BCT_A5_ELEM_SB 298.15<NL> 3757.142+148.154689*T-30.5130752*T*LN(T)+7.748768E-3*T**2-3.003415E-6*T**3<NL> +100625*T**(-1); 903.78 Y<NL> 1261.17+161.485872*T-31.38*T*LN(T)+1616.849E24*T**(-9); 2000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_SB 298.15<NL> 10631.142+142.454689*T-30.5130752*T*LN(T)+7.748768E-3*T**2-3.003415E-6*T**3<NL> +100625*T**(-1); 903.78 Y<NL> 8135.17+155.785872*T-31.38*T*LN(T)+1616.849E24*T**(-9); 2000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_SB 298.15<NL> 10631.142+141.054689*T-30.5130752*T*LN(T)+7.748768E-3*T**2-3.003415E-6*T**3<NL> +100625*T**(-1); 903.78 Y<NL> 8135.17+154.385872*T-31.38*T*LN(T)+1616.849E24*T**(-9); 2000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_SB 298.15<NL> 10631.142+143.154689*T-30.5130752*T*LN(T)+7.748768E-3*T**2-3.003415E-6*T**3<NL> +100625*T**(-1); 903.78 Y<NL> 8135.17+156.485872*T-31.38*T*LN(T)+1616.849E24*T**(-9); 2000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_SC 298.15<NL> -8689.547+153.48097*T-28.1882*T*LN(T)+3.21892E-3*T**2-1.64531E-6*T**3<NL> +72177*T**(-1); 800.00 Y<NL> -7511.295+132.759582*T-24.9132*T*LN(T)-0.573295E-3*T**2-0.859345E-6*T**3;<NL> 1608.00 Y<NL> 261143.04-1817.922454*T+241.4410508*T*LN(T)-117.529396E-3*T**2+8.7398E-6*T**3<NL> -50607159*T**(-1); 2000.00 Y<NL> -30515.246+286.474338*T-44.2249*T*LN(T); 3200.00 N !
FUNCTION SGTE_BCC_A2_ELEM_SC 298.15<NL> -6709.819+152.456835*T-28.1882*T*LN(T)+3.21892E-3*T**2-1.64531E-6*T**3<NL> +72177*T**(-1); 800.00 Y<NL> -5531.567+131.735447*T-24.9132*T*LN(T)-0.573295E-3*T**2-0.859345E-6*T**3;<NL> 1000.00 Y<NL> 230161.408-2004.054685*T+276.7666402*T*LN(T)-167.120107E-3*T**2<NL> +15.637371E-6*T**3-33783257*T**(-1); 1608.00 Y<NL> -25928.011+283.642312*T-44.2249*T*LN(T); 3200.00 N !
FUNCTION SGTE_LIQUID_ELEM_SC 298.15<NL> 6478.66+45.427539*T-10.7967803*T*LN(T)-20.636524E-3*T**2+2.13106E-6*T**3<NL> -158106*T**(-1); 1608.00 Y<NL> -11832.111+275.871695*T-44.2249*T*LN(T); 3200.00 N !
FUNCTION SGTE_FCC_A1_ELEM_SC 298.15<NL> -3689.547+153.48097*T-28.1882*T*LN(T)+3.21892E-3*T**2-1.64531E-6*T**3<NL> +72177*T**(-1); 800.00 Y<NL> -2511.295+132.759582*T-24.9132*T*LN(T)-0.573295E-3*T**2-0.859345E-6*T**3;<NL> 1608.00 Y<NL> 266143.04-1817.922454*T+241.4410508*T*LN(T)-117.529396E-3*T**2+8.7398E-6*T**3<NL> -50607159*T**(-1); 2000.00 Y<NL> -25515.246+286.474338*T-44.2249*T*LN(T); 3200.00 N !
FUNCTION SGTE_DHCP_ELEM_SC 298.15<NL> -7489.547+153.8966955*T-28.1882*T*LN(T)+3.21892E-3*T**2-1.64531E-6*T**3<NL> +72177*T**(-1); 800.00 Y<NL> -6311.295+133.1753075*T-24.9132*T*LN(T)-0.573295E-3*T**2-0.859345E-6*T**3;<NL> 1608.00 Y<NL> 262343.04-1817.506729*T+241.4410508*T*LN(T)-117.529396E-3*T**2+8.7398E-6*T**3<NL> -50607159*T**(-1); 2000.00 Y<NL> -29315.246+286.8900635*T-44.2249*T*LN(T); 3200.00 N !
FUNCTION SGTE_HEXAGONAL_A8_ELEM_SE 298.15<NL> -9376.371+174.205877*T-33.6527*T*LN(T)+24.24314E-3*T**2-15.318461E-6*T**3<NL> +102249*T**(-1); 494.00 Y<NL> -37546.134+507.111538*T-81.2006585*T*LN(T)+37.144892E-3*T**2-5.611026E-6*T**3<NL> +2614263*T**(-1); 800.00 Y<NL> -12193.47+197.770166*T-35.1456*T*LN(T); 1000.00 N !
FUNCTION SGTE_LIQUID_ELEM_SE 298.15<NL> 50533.347-1178.288242*T+194.1074389*T*LN(T)-390.268991E-3*T**2<NL> +119.219297E-6*T**3-2224398*T**(-1); 494.00 Y<NL> -5228.304+183.72559*T-35.1456*T*LN(T); 1000.00 N !
FUNCTION SGTE_DIAMOND_A4_ELEM_SI 298.15<NL> -8162.609+137.236859*T-22.8317533*T*LN(T)-1.912904E-3*T**2-0.003552E-6*T**3<NL> +176667*T**(-1); 1687.00 Y<NL> -9457.642+167.281367*T-27.196*T*LN(T)-420.369E28*T**(-9); 3600.00 N !
FUNCTION SGTE_LIQUID_ELEM_SI 298.15<NL> 42533.751+107.13742*T-22.8317533*T*LN(T)-1.912904E-3*T**2-0.003552E-6*T**3<NL> +176667*T**(-1)+209.307E-23*T**7; 1687.00 Y<NL> 40370.523+137.722298*T-27.196*T*LN(T); 3600.00 N !
FUNCTION SGTE_BCC_A2_ELEM_SI 298.15<NL> 38837.391+114.736859*T-22.8317533*T*LN(T)-1.912904E-3*T**2-0.003552E-6*T**3<NL> +176667*T**(-1); 1687.00 Y<NL> 37542.358+144.781367*T-27.196*T*LN(T)-420.369E28*T**(-9); 3600.00 N !
FUNCTION SGTE_FCC_A1_ELEM_SI 298.15<NL> 42837.391+115.436859*T-22.8317533*T*LN(T)-1.912904E-3*T**2-0.003552E-6*T**3<NL> +176667*T**(-1); 1687.00 Y<NL> 41542.358+145.481367*T-27.196*T*LN(T)-420.369E28*T**(-9); 3600.00 N !
FUNCTION SGTE_CBCC_A12_ELEM_SI 298.15<NL> 42045.391+116.859859*T-22.8317533*T*LN(T)-1.912904E-3*T**2-0.003552E-6*T**3<NL> +176667*T**(-1); 1687.00 Y<NL> 40750.358+146.904367*T-27.196*T*LN(T)-420.369E28*T**(-9); 3600.00 N !
FUNCTION SGTE_CUB_A13_ELEM_SI 298.15<NL> 39116.391+116.859859*T-22.8317533*T*LN(T)-1.912904E-3*T**2-0.003552E-6*T**3<NL> +176667*T**(-1); 1687.00 Y<NL> 37821.358+146.904367*T-27.196*T*LN(T)-420.369E28*T**(-9); 3600.00 N !
FUNCTION SGTE_HCP_A3_ELEM_SI 298.15<NL> 41037.391+116.436859*T-22.8317533*T*LN(T)-1.912904E-3*T**2-0.003552E-6*T**3<NL> +176667*T**(-1); 1687.00 Y<NL> 39742.358+146.481367*T-27.196*T*LN(T)-420.369E28*T**(-9); 3600.00 N !
FUNCTION SGTE_HCP_ZN_ELEM_SI 298.15<NL> 41038.391+116.436859*T-22.8317533*T*LN(T)-1.912904E-3*T**2-0.003552E-6*T**3<NL> +176667*T**(-1); 1687.00 Y<NL> 39743.358+146.481367*T-27.196*T*LN(T)-420.369E28*T**(-9); 3600.00 N !
FUNCTION SGTE_RHOMB_C19_ELEM_SM 298.15<NL> -3872.013-32.10748*T-1.6485*T*LN(T)-50.254E-3*T**2+10.10345E-6*T**3<NL> -82168*T**(-1); 700.00 Y<NL> -50078.215+627.869894*T-102.665*T*LN(T)+47.4522E-3*T**2-7.538383E-6*T**3<NL> +3861770*T**(-1); 1190.00 Y<NL> 289719.819-2744.509764*T+381.4198202*T*LN(T)-254.986338E-3*T**2<NL> +27.512152E-6*T**3-40102102*T**(-1); 1345.00 Y<NL> -23056.079+282.194375*T-50.208*T*LN(T); 2100.00 N !
FUNCTION SGTE_HCP_A3_ELEM_SM 298.15<NL> -3802.0356-32.176971*T-1.6485*T*LN(T)-50.254E-3*T**2+10.10345E-6*T**3<NL> -82168*T**(-1); 700.00 Y<NL> -50008.2376+627.800403*T-102.665*T*LN(T)+47.4522E-3*T**2-7.538383E-6*T**3<NL> +3861770*T**(-1); 1190.00 Y<NL> 289789.7964-2744.579255*T+381.4198202*T*LN(T)-254.986338E-3*T**2<NL> +27.512152E-6*T**3-40102102*T**(-1); 1345.00 Y<NL> -22986.1016+282.124884*T-50.208*T*LN(T); 2100.00 N !
FUNCTION SGTE_BCC_A2_ELEM_SM 298.15<NL> -4368.72+55.972523*T-16.9298494*T*LN(T)-25.446016E-3*T**2+3.579527E-6*T**3<NL> +94209*T**(-1); 1190.00 Y<NL> -15957.862+253.121044*T-46.9445*T*LN(T); 1345.00 Y<NL> 111191.653-624.680805*T+71.6856914*T*LN(T)-47.314968E-3*T**2+3.329865E-6*T**3<NL> -24870276*T**(-1); 2100.00 N !
FUNCTION SGTE_LIQUID_ELEM_SM 298.15<NL> 3468.783+20.117456*T-11.6968284*T*LN(T)-32.418177E-3*T**2+4.544272E-6*T**3<NL> +23528*T**(-1); 1190.00 Y<NL> -11728.229+273.487076*T-50.208*T*LN(T); 2100.00 N !
FUNCTION SGTE_BCT_A5_ELEM_SN 100.00<NL> -7958.517+122.765451*T-25.858*T*LN(T)+0.51185E-3*T**2-3.192767E-6*T**3<NL> +18440*T**(-1); 250.00 Y<NL> -5855.135+65.443315*T-15.961*T*LN(T)-18.8702E-3*T**2+3.121167E-6*T**3<NL> -61960*T**(-1); 505.08 Y<NL> 2524.724+4.005269*T-8.2590486*T*LN(T)-16.814429E-3*T**2+2.623131E-6*T**3<NL> -1081244*T**(-1)-123.07E23*T**(-9); 800.00 Y<NL> -8256.959+138.99688*T-28.4512*T*LN(T)-123.07E23*T**(-9); 3000.00 N !
FUNCTION SGTE_DIAMOND_A4_ELEM_SN 100.00<NL> -9579.608+114.007785*T-22.972*T*LN(T)-8.13975E-3*T**2+2.7288E-6*T**3<NL> +25615*T**(-1); 298.15 Y<NL> -9063.001+104.84654*T-21.5750771*T*LN(T)-8.575282E-3*T**2+1.784447E-6*T**3<NL> -2544*T**(-1); 800.00 Y<NL> -10909.351+147.396535*T-28.4512*T*LN(T); 3000.00 N !
FUNCTION SGTE_LIQUID_ELEM_SN 100.00<NL> -855.425+108.677684*T-25.858*T*LN(T)+0.51185E-3*T**2-3.192767E-6*T**3<NL> +18440*T**(-1)+147.031E-20*T**7; 250.00 Y<NL> 1247.957+51.355548*T-15.961*T*LN(T)-18.8702E-3*T**2+3.121167E-6*T**3<NL> -61960*T**(-1)+147.031E-20*T**7; 505.08 Y<NL> 9496.31-9.809114*T-8.2590486*T*LN(T)-16.814429E-3*T**2+2.623131E-6*T**3<NL> -1081244*T**(-1); 800.00 Y<NL> -1285.372+125.182498*T-28.4512*T*LN(T); 3000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_SN 298.15<NL> -345.135+56.983315*T-15.961*T*LN(T)-18.8702E-3*T**2+3.121167E-6*T**3<NL> -61960*T**(-1); 505.08 Y<NL> 8034.724-4.454731*T-8.2590486*T*LN(T)-16.814429E-3*T**2+2.623131E-6*T**3<NL> -1081244*T**(-1)-123.07E23*T**(-9); 800.00 Y<NL> -2746.959+130.53688*T-28.4512*T*LN(T)-123.07E23*T**(-9); 3000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_SN 298.15<NL> -1955.135+57.797315*T-15.961*T*LN(T)-18.8702E-3*T**2+3.121167E-6*T**3<NL> -61960*T**(-1); 505.08 Y<NL> 6424.724-3.640731*T-8.2590486*T*LN(T)-16.814429E-3*T**2+2.623131E-6*T**3<NL> -1081244*T**(-1)-123.07E23*T**(-9); 800.00 Y<NL> -4356.959+131.35088*T-28.4512*T*LN(T)-123.07E23*T**(-9); 3000.00 N !
FUNCTION SGTE_HCP_ZN_ELEM_SN 298.15<NL> -1950.135+57.797315*T-15.961*T*LN(T)-18.8702E-3*T**2+3.121167E-6*T**3<NL> -61960*T**(-1); 505.08 Y<NL> 6429.724-3.640731*T-8.2590486*T*LN(T)-16.814429E-3*T**2+2.623131E-6*T**3<NL> -1081244*T**(-1)-123.07E23*T**(-9); 800.00 Y<NL> -4351.959+131.35088*T-28.4512*T*LN(T)-123.07E23*T**(-9); 3000.00 N !
FUNCTION SGTE_RHOMBOHEDRAL_A7_ELEM_SN 100.00<NL> -5923.517+122.765451*T-25.858*T*LN(T)+0.51185E-3*T**2-3.192767E-6*T**3<NL> +18440*T**(-1); 250.00 Y<NL> -3820.135+65.443315*T-15.961*T*LN(T)-18.8702E-3*T**2+3.121167E-6*T**3<NL> -61960*T**(-1); 505.08 Y<NL> 4559.724+4.005269*T-8.2590486*T*LN(T)-16.814429E-3*T**2+2.623131E-6*T**3<NL> -1081244*T**(-1)-123.07E23*T**(-9); 800.00 Y<NL> -6221.959+138.99688*T-28.4512*T*LN(T)-123.07E23*T**(-9); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_SN 100.00<NL> -3558.517+116.765451*T-25.858*T*LN(T)+0.51185E-3*T**2-3.192767E-6*T**3<NL> +18440*T**(-1); 250.00 Y<NL> -1455.135+59.443315*T-15.961*T*LN(T)-18.8702E-3*T**2+3.121167E-6*T**3<NL> -61960*T**(-1); 505.08 Y<NL> 6924.724-1.994731*T-8.2590486*T*LN(T)-16.814429E-3*T**2+2.623131E-6*T**3<NL> -1081244*T**(-1)-123.07E23*T**(-9); 800.00 Y<NL> -3856.959+132.99688*T-28.4512*T*LN(T)-123.07E23*T**(-9); 3000.00 N !
FUNCTION SGTE_TETRAGONAL_A6_ELEM_SN 298.15<NL> -468.135+57.181195*T-15.961*T*LN(T)-18.8702E-3*T**2+3.121167E-6*T**3<NL> -61960*T**(-1); 505.08 Y<NL> 7911.724-4.256851*T-8.2590486*T*LN(T)-16.814429E-3*T**2+2.623131E-6*T**3<NL> -1081244*T**(-1)-123.07E23*T**(-9); 800.00 Y<NL> -2869.959+130.73476*T-28.4512*T*LN(T)-123.07E23*T**(-9); 3000.00 N !
FUNCTION SGTE_CBCC_A12_ELEM_SN 100.00<NL> -5958.517+122.765451*T-25.858*T*LN(T)+0.51185E-3*T**2-3.192767E-6*T**3<NL> +18440*T**(-1); 250.00 Y<NL> -3855.135+65.443315*T-15.961*T*LN(T)-18.8702E-3*T**2+3.121167E-6*T**3<NL> -61960*T**(-1); 505.08 Y<NL> 4524.724+4.005269*T-8.2590486*T*LN(T)-16.814429E-3*T**2+2.623131E-6*T**3<NL> -1081244*T**(-1)-123.07E23*T**(-9); 800.00 Y<NL> -6256.959+138.99688*T-28.4512*T*LN(T)-123.07E23*T**(-9); 3000.00 N !
FUNCTION SGTE_CUB_A13_ELEM_SN 100.00<NL> -5958.517+122.765451*T-25.858*T*LN(T)+0.51185E-3*T**2-3.192767E-6*T**3<NL> +18440*T**(-1); 250.00 Y<NL> -3855.135+65.443315*T-15.961*T*LN(T)-18.8702E-3*T**2+3.121167E-6*T**3<NL> -61960*T**(-1); 505.08 Y<NL> 4524.724+4.005269*T-8.2590486*T*LN(T)-16.814429E-3*T**2+2.623131E-6*T**3<NL> -1081244*T**(-1)-123.07E23*T**(-9); 800.00 Y<NL> -6256.959+138.99688*T-28.4512*T*LN(T)-123.07E23*T**(-9); 3000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_SR 298.15<NL> -7532.367+107.183879*T-23.905*T*LN(T)-4.61225E-3*T**2-0.167477E-6*T**3<NL> -2055*T**(-1); 820.00 Y<NL> -13380.102+153.196104*T-30.0905432*T*LN(T)-3.251266E-3*T**2+0.184189E-6*T**3<NL> +850134*T**(-1); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_SR 298.15<NL> -6779.234+116.583654*T-25.6708365*T*LN(T)-3.126762E-3*T**2+0.22965E-6*T**3<NL> +27649*T**(-1); 820.00 Y<NL> -6970.594+122.067301*T-26.57*T*LN(T)-1.9493E-3*T**2-0.017895E-6*T**3<NL> +16495*T**(-1); 1050.00 Y<NL> 8168.357+0.423037*T-9.7788593*T*LN(T)-9.539908E-3*T**2+0.520221E-6*T**3<NL> -2414794*T**(-1); 3000.00 N !
FUNCTION SGTE_LIQUID_ELEM_SR 298.15<NL> 2194.997-10.118994*T-5.0668978*T*LN(T)-31.840595E-3*T**2+4.981237E-6*T**3<NL> -265559*T**(-1); 1050.00 Y<NL> -10855.29+213.406219*T-39.463*T*LN(T); 3000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_SR 298.15<NL> -7282.367+107.883879*T-23.905*T*LN(T)-4.61225E-3*T**2-0.167477E-6*T**3<NL> -2055*T**(-1); 820.00 Y<NL> -13130.102+153.896104*T-30.0905432*T*LN(T)-3.251266E-3*T**2+0.184189E-6*T**3<NL> +850134*T**(-1); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_TA 298.15<NL> -7285.889+119.139857*T-23.7592624*T*LN(T)-2.623033E-3*T**2+0.170109E-6*T**3<NL> -3293*T**(-1); 1300.00 Y<NL> -22389.955+243.88676*T-41.137088*T*LN(T)+6.167572E-3*T**2-0.655136E-6*T**3<NL> +2429586*T**(-1); 2500.00 Y<NL> 229382.886-722.59722*T+78.5244752*T*LN(T)-17.983376E-3*T**2+0.195033E-6*T**3<NL> -93813648*T**(-1); 3290.00 Y<NL> -1042384.014+2985.491246*T-362.1591318*T*LN(T)+43.117795E-3*T**2<NL> -1.055148E-6*T**3+554714342*T**(-1); 6000.00 N !
FUNCTION SGTE_LIQUID_ELEM_TA 298.15<NL> 21875.086+111.561128*T-23.7592624*T*LN(T)-2.623033E-3*T**2+0.170109E-6*T**3<NL> -3293*T**(-1); 1000.00 Y<NL> 43884.339-61.981795*T+0.0279523*T*LN(T)-12.330066E-3*T**2+0.614599E-6*T**3<NL> -3523338*T**(-1); 3290.00 Y<NL> -6314.543+258.110873*T-41.84*T*LN(T); 6000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_TA 298.15<NL> 8714.111+120.839857*T-23.7592624*T*LN(T)-2.623033E-3*T**2+0.170109E-6*T**3<NL> -3293*T**(-1); 1300.00 Y<NL> -6389.955+245.58676*T-41.137088*T*LN(T)+6.167572E-3*T**2-0.655136E-6*T**3<NL> +2429586*T**(-1); 2500.00 Y<NL> 245382.886-720.89722*T+78.5244752*T*LN(T)-17.983376E-3*T**2+0.195033E-6*T**3<NL> -93813648*T**(-1); 3290.00 Y<NL> -1026384.014+2987.191246*T-362.1591318*T*LN(T)+43.117795E-3*T**2<NL> -1.055148E-6*T**3+554714342*T**(-1); 6000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_TA 298.15<NL> 4714.111+121.539857*T-23.7592624*T*LN(T)-2.623033E-3*T**2+0.170109E-6*T**3<NL> -3293*T**(-1); 1300.00 Y<NL> -10389.955+246.28676*T-41.137088*T*LN(T)+6.167572E-3*T**2-0.655136E-6*T**3<NL> +2429586*T**(-1); 2500.00 Y<NL> 241382.886-720.19722*T+78.5244752*T*LN(T)-17.983376E-3*T**2+0.195033E-6*T**3<NL> -93813648*T**(-1); 3290.00 Y<NL> -1030384.014+2987.891246*T-362.1591318*T*LN(T)+43.117795E-3*T**2<NL> -1.055148E-6*T**3+554714342*T**(-1); 6000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_TB 298.15<NL> -20842.158+409.309555*T-77.5006*T*LN(T)+83.2265E-3*T**2-25.672833E-6*T**3<NL> +562430*T**(-1); 600.00 Y<NL> -8772.606+102.61162*T-25.8659*T*LN(T)-2.757005E-3*T**2-0.805838E-6*T**3<NL> +172355*T**(-1); 1200.00 Y<NL> -7944.942+101.7776*T-25.9584*T*LN(T)-1.676335E-3*T**2-1.067632E-6*T**3;<NL> 1562.00 Y<NL> -265240.309+1456.042685*T-200.2156949*T*LN(T)+41.615159E-3*T**2<NL> -2.044697E-6*T**3+65043790*T**(-1); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_TB 298.15<NL> -16674.323+406.656848*T-77.5006*T*LN(T)+83.2265E-3*T**2-25.672833E-6*T**3<NL> +562430*T**(-1); 600.00 Y<NL> -4604.771+99.958913*T-25.8659*T*LN(T)-2.757005E-3*T**2-0.805838E-6*T**3<NL> +172355*T**(-1); 1200.00 Y<NL> 633060.245-5157.777795*T+706.5805957*T*LN(T)-373.763517E-3*T**2<NL> +34.100235E-6*T**3-103233571*T**(-1); 1562.00 Y<NL> -23398.029+257.388486*T-46.4842*T*LN(T); 3000.00 N !
FUNCTION SGTE_LIQUID_ELEM_TB 298.15<NL> 3945.831+29.867521*T-14.252646*T*LN(T)-20.466105E-3*T**2+2.17475E-6*T**3<NL> -160724*T**(-1); 1562.00 Y<NL> -13247.649+251.16889*T-46.4842*T*LN(T); 3000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_TC 298.15<NL> -7947.794+132.5101*T-24.3394*T*LN(T)-2.954747E-3*T**2+63855*T**(-1); 2430.00 Y<NL> -47759.99+318.286*T-47*T*LN(T)+663.829E30*T**(-9); 4000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_TC 298.15<NL> 2052.206+131.0101*T-24.3394*T*LN(T)-2.954747E-3*T**2+63855*T**(-1); 2430.00 Y<NL> -37759.99+316.786*T-47*T*LN(T)+663.829E30*T**(-9); 4000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_TC 298.15<NL> 10052.206+128.0101*T-24.3394*T*LN(T)-2.954747E-3*T**2+63855*T**(-1); 2430.00 Y<NL> -29759.99+313.786*T-47*T*LN(T)+663.829E30*T**(-9); 4000.00 N !
FUNCTION SGTE_LIQUID_ELEM_TC 298.15<NL> 22454.34+120.1971*T-24.3394*T*LN(T)-2.954747E-3*T**2+63855*T**(-1)<NL> -962.385E-24*T**7; 2430.00 Y<NL> -12221.9+303.7538*T-47*T*LN(T); 4000.00 N !
FUNCTION SGTE_HEXAGONAL_A8_ELEM_TE 298.15<NL> -10544.679+183.372894*T-35.6687*T*LN(T)+15.83435E-3*T**2-5.240417E-6*T**3<NL> +155015*T**(-1); 722.66 Y<NL> 9160.595-129.265373*T+13.004*T*LN(T)-36.2361E-3*T**2+5.006367E-6*T**3<NL> -1286810*T**(-1); 1150.00 Y<NL> -12781.349+174.901226*T-32.5596*T*LN(T); 1600.00 N !
FUNCTION SGTE_LIQUID_ELEM_TE 298.15<NL> -17554.731+685.8776386*T-126.318*T*LN(T)+221.9435E-3*T**2-94.2075E-6*T**3<NL> +827930*T**(-1); 626.49 Y<NL> -3165763.484+46756.3570347*T-7196.41*T*LN(T)+7097.75E-3*T**2<NL> -1306.928333E-6*T**3+258051000*T**(-1); 722.66 Y<NL> 180326.959-1500.5790943*T+202.743*T*LN(T)-142.016E-3*T**2+16.129733E-6*T**3<NL> -24238450*T**(-1); 1150.00 Y<NL> 6328.687+148.7082987*T-32.5596*T*LN(T); 1600.00 N !
FUNCTION SGTE_FCC_A1_ELEM_TH 298.15<NL> -7732.08+116.273975*T-24.841*T*LN(T)-2.36725E-3*T**2-0.52883E-6*T**3<NL> +13010*T**(-1); 1633.00 Y<NL> -37352.871+236.906118*T-39.107*T*LN(T)-3.58025E-3*T**2+0.236893E-6*T**3<NL> +7981000*T**(-1); 2900.00 Y<NL> -33353.313+283.231045*T-46.024*T*LN(T); 4000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_TH 298.15<NL> -2321.06+133.531195*T-28.244*T*LN(T)+0.43775E-3*T**2-0.53048E-6*T**3<NL> +91190*T**(-1); 1633.00 Y<NL> -115978.348+800.909049*T-116.453*T*LN(T)+30.98E-3*T**2-2.536883E-6*T**3<NL> +27512600*T**(-1); 2023.00 Y<NL> -33602.796+208.774709*T-35.813*T*LN(T)-3.46655E-3*T**2+0.166067E-6*T**3<NL> +11876950*T**(-1); 3600.00 Y<NL> -34333.615+283.181494*T-46.024*T*LN(T); 4000.00 N !
FUNCTION SGTE_LIQUID_ELEM_TH 298.15<NL> 5031.109+110.886346*T-24.987*T*LN(T)-1.68345E-3*T**2-0.909067E-6*T**3<NL> +10865*T**(-1); 1499.80 Y<NL> -15602.847+127.657716*T-24.03*T*LN(T)-13.6421E-3*T**2+1.210117E-6*T**3<NL> +7111100*T**(-1); 2014.50 Y<NL> -17273.382+275.001274*T-46.024*T*LN(T); 4000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_TI 298.15<NL> -8059.921+133.615208*T-23.9933*T*LN(T)-4.777975E-3*T**2+0.106716E-6*T**3<NL> +72636*T**(-1); 900.00 Y<NL> -7811.815+132.988068*T-23.9887*T*LN(T)-4.2033E-3*T**2-0.090876E-6*T**3<NL> +42680*T**(-1); 1155.00 Y<NL> 908.837+66.976538*T-14.9466*T*LN(T)-8.1465E-3*T**2+0.202715E-6*T**3<NL> -1477660*T**(-1); 1941.00 Y<NL> -124526.786+638.806871*T-87.2182461*T*LN(T)+8.204849E-3*T**2-0.304747E-6*T**3<NL> +36699805*T**(-1); 4000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_TI 298.15<NL> -1272.064+134.71418*T-25.5768*T*LN(T)-0.663845E-3*T**2-0.278803E-6*T**3<NL> +7208*T**(-1); 1155.00 Y<NL> 6667.385+105.366379*T-22.3771*T*LN(T)+1.21707E-3*T**2-0.84534E-6*T**3<NL> -2002750*T**(-1); 1941.00 Y<NL> 26483.26-182.426471*T+19.0900905*T*LN(T)-22.00832E-3*T**2+1.228863E-6*T**3<NL> +1400501*T**(-1); 4000.00 N !
FUNCTION SGTE_LIQUID_ELEM_TI 298.15<NL> 4134.494+126.63427*T-23.9933*T*LN(T)-4.777975E-3*T**2+0.106716E-6*T**3<NL> +72636*T**(-1); 900.00 Y<NL> 4382.601+126.00713*T-23.9887*T*LN(T)-4.2033E-3*T**2-0.090876E-6*T**3<NL> +42680*T**(-1); 1155.00 Y<NL> 13103.253+59.9956*T-14.9466*T*LN(T)-8.1465E-3*T**2+0.202715E-6*T**3<NL> -1477660*T**(-1); 1300.00 Y<NL> 369519.198-2554.0225*T+342.059267*T*LN(T)-163.409355E-3*T**2+12.457117E-6*T**3<NL> -67034516*T**(-1); 1941.00 Y<NL> -19887.066+298.7367*T-46.29*T*LN(T); 4000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_TI 298.15<NL> -2059.921+133.515208*T-23.9933*T*LN(T)-4.777975E-3*T**2+0.106716E-6*T**3<NL> +72636*T**(-1); 900.00 Y<NL> -1811.815+132.888068*T-23.9887*T*LN(T)-4.2033E-3*T**2-0.090876E-6*T**3<NL> +42680*T**(-1); 1155.00 Y<NL> 6908.837+66.876538*T-14.9466*T*LN(T)-8.1465E-3*T**2+0.202715E-6*T**3<NL> -1477660*T**(-1); 1941.00 Y<NL> -118526.786+638.706871*T-87.2182461*T*LN(T)+8.204849E-3*T**2-0.304747E-6*T**3<NL> +36699805*T**(-1); 4000.00 N !
FUNCTION SGTE_CBCC_A12_ELEM_TI 298.15<NL> -3457.721+133.615208*T-23.9933*T*LN(T)-4.777975E-3*T**2+0.106716E-6*T**3<NL> +72636*T**(-1); 900.00 Y<NL> -3209.615+132.988068*T-23.9887*T*LN(T)-4.2033E-3*T**2-0.090876E-6*T**3<NL> +42680*T**(-1); 1155.00 Y<NL> 5511.037+66.976538*T-14.9466*T*LN(T)-8.1465E-3*T**2+0.202715E-6*T**3<NL> -1477660*T**(-1); 1941.00 Y<NL> -119924.586+638.806871*T-87.2182461*T*LN(T)+8.204849E-3*T**2-0.304747E-6*T**3<NL> +36699805*T**(-1); 4000.00 N !
FUNCTION SGTE_CUB_A13_ELEM_TI 298.15<NL> -528.721+133.615208*T-23.9933*T*LN(T)-4.777975E-3*T**2+0.106716E-6*T**3<NL> +72636*T**(-1); 900.00 Y<NL> -280.615+132.988068*T-23.9887*T*LN(T)-4.2033E-3*T**2-0.090876E-6*T**3<NL> +42680*T**(-1); 1155.00 Y<NL> 8440.037+66.976538*T-14.9466*T*LN(T)-8.1465E-3*T**2+0.202715E-6*T**3<NL> -1477660*T**(-1); 1941.00 Y<NL> -116995.586+638.806871*T-87.2182461*T*LN(T)+8.204849E-3*T**2-0.304747E-6*T**3<NL> +36699805*T**(-1); 4000.00 N !
FUNCTION SGTE_DIAMOND_A4_ELEM_TI 298.15<NL> 16940.079+133.615208*T-23.9933*T*LN(T)-4.777975E-3*T**2+0.106716E-6*T**3<NL> +72636*T**(-1); 900.00 Y<NL> 17188.185+132.988068*T-23.9887*T*LN(T)-4.2033E-3*T**2-0.090876E-6*T**3<NL> +42680*T**(-1); 1155.00 Y<NL> 25908.837+66.976538*T-14.9466*T*LN(T)-8.1465E-3*T**2+0.202715E-6*T**3<NL> -1477660*T**(-1); 1941.00 Y<NL> -99526.786+638.806871*T-87.2182461*T*LN(T)+8.204849E-3*T**2-0.304747E-6*T**3<NL> +36699805*T**(-1); 4000.00 N !
FUNCTION SGTE_BCT_A5_ELEM_TI 298.15<NL> -3457.721+133.615208*T-23.9933*T*LN(T)-4.777975E-3*T**2+0.106716E-6*T**3<NL> +72636*T**(-1); 900.00 Y<NL> -3209.615+132.988068*T-23.9887*T*LN(T)-4.2033E-3*T**2-0.090876E-6*T**3<NL> +42680*T**(-1); 1155.00 Y<NL> 5511.037+66.976538*T-14.9466*T*LN(T)-8.1465E-3*T**2+0.202715E-6*T**3<NL> -1477660*T**(-1); 1941.00 Y<NL> -119924.586+638.806871*T-87.2182461*T*LN(T)+8.204849E-3*T**2-0.304747E-6*T**3<NL> +36699805*T**(-1); 3000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_TL 200.00<NL> -8104.038+107.140405*T-25.2274*T*LN(T)-3.3063E-3*T**2-0.121807E-6*T**3<NL> +42058*T**(-1); 577.00 Y<NL> -15406.859+196.771926*T-38.4130658*T*LN(T)+5.228106E-3*T**2-0.519136E-6*T**3<NL> +729665*T**(-1); 1800.00 N !
FUNCTION SGTE_BCC_A2_ELEM_TL 200.00<NL> -9194.493+150.019517*T-33.0508*T*LN(T)+17.2318E-3*T**2-10.115933E-6*T**3<NL> +82153*T**(-1); 577.00 Y<NL> -41836.403+482.633817*T-79.2926704*T*LN(T)+26.042993E-3*T**2-2.359101E-6*T**3<NL> +3507810*T**(-1); 1800.00 N !
FUNCTION SGTE_LIQUID_ELEM_TL 200.00<NL> -946.623+0.755649*T-7.44455*T*LN(T)-44.350292E-3*T**2+14.248046E-6*T**3<NL> -54228*T**(-1); 577.00 Y<NL> -614.74+98.472609*T-25.8437*T*LN(T)-0.83662E-3*T**2+0.000009E-6*T**3<NL> -612570*T**(-1); 1800.00 N !
FUNCTION SGTE_FCC_A1_ELEM_TL 200.00<NL> -7794.038+107.140405*T-25.2274*T*LN(T)-3.3063E-3*T**2-0.121807E-6*T**3<NL> +42058*T**(-1); 577.00 Y<NL> -15096.859+196.771926*T-38.4130658*T*LN(T)+5.228106E-3*T**2-0.519136E-6*T**3<NL> +729665*T**(-1); 1800.00 N !
FUNCTION SGTE_HCP_A3_ELEM_TM 298.15<NL> -10016.715+151.037648*T-34.3664974*T*LN(T)+12.110965E-3*T**2-3.831156E-6*T**3<NL> +95982*T**(-1); 700.00 Y<NL> -14701.965+147.957496*T-32.1951269*T*LN(T)+0.444753E-3*T**2-0.396694E-6*T**3<NL> +1091664*T**(-1); 1600.00 Y<NL> -8669.227+97.98144*T-25.1816969*T*LN(T)-3.384563E-3*T**2; 1818.00 Y<NL> 727125.608-4147.400632*T+534.082763*T*LN(T)-190.93039E-3*T**2<NL> +11.689185E-6*T**3-180382220*T**(-1); 2300.00 N !
FUNCTION SGTE_LIQUID_ELEM_TM 298.15<NL> 3182.534+144.479977*T-34.3664974*T*LN(T)+12.110965E-3*T**2-3.831156E-6*T**3<NL> +95982*T**(-1); 600.00 Y<NL> 22640.028-126.738485*T+6.8744933*T*LN(T)-25.487085E-3*T**2+2.288172E-6*T**3<NL> -1585412*T**(-1); 1818.00 Y<NL> -10090.305+214.184413*T-41.37976*T*LN(T); 2300.00 N !
FUNCTION SGTE_ORTHORHOMBIC_A20_ELEM_U 298.15<NL> -8407.734+130.955151*T-26.9182*T*LN(T)+1.25156E-3*T**2-4.42605E-6*T**3<NL> +38568*T**(-1); 955.00 Y<NL> -22521.8+292.121093*T-48.66*T*LN(T); 3000.00 N !
FUNCTION SGTE_TETRAGONAL_U_ELEM_U 298.15<NL> -5156.136+106.976316*T-22.841*T*LN(T)-10.84475E-3*T**2+0.027889E-6*T**3<NL> +81944*T**(-1); 941.50 Y<NL> -14327.309+244.16802*T-42.9278*T*LN(T); 3000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_U 298.15<NL> -752.767+131.5381*T-27.5152*T*LN(T)-8.35595E-3*T**2+0.967907E-6*T**3<NL> +204611*T**(-1); 1049.00 Y<NL> -4698.365+202.685635*T-38.2836*T*LN(T); 3000.00 N !
FUNCTION SGTE_LIQUID_ELEM_U 298.15<NL> 3947.766+120.631251*T-26.9182*T*LN(T)+1.25156E-3*T**2-4.42605E-6*T**3<NL> +38568*T**(-1); 955.00 Y<NL> -10166.3+281.797193*T-48.66*T*LN(T); 3000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_U 298.15<NL> -3407.734+130.955151*T-26.9182*T*LN(T)+1.25156E-3*T**2-4.42605E-6*T**3<NL> +38568*T**(-1); 955.00 Y<NL> -17521.8+292.121093*T-48.66*T*LN(T); 3000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_U 298.15<NL> +4247.233+131.5301*T<NL> -27.5152*T*LN(T)-.00835595*T**2+9.67907E-07*T**3+204611*T**(-1); <NL> 1049.00 Y<NL> +301.635+202.677635*T-38.2836*T*LN(T); 2500.00 N !
FUNCTION SGTE_BCC_A2_ELEM_V 298.15<NL> -7930.43+133.346053*T-24.134*T*LN(T)-3.098E-3*T**2+0.12175E-6*T**3<NL> +69460*T**(-1); 790.00 Y<NL> -7967.842+143.291093*T-25.9*T*LN(T)+0.0625E-3*T**2-0.68E-6*T**3; 2183.00 Y<NL> -41689.864+321.140783*T-47.43*T*LN(T)+644.389E29*T**(-9); 4000.00 N !
FUNCTION SGTE_LIQUID_ELEM_V 298.15<NL> 12833.687+123.890501*T-24.134*T*LN(T)-3.098E-3*T**2+0.12175E-6*T**3<NL> +69460*T**(-1)-519.136E-24*T**7; 790.00 Y<NL> 12796.275+133.835541*T-25.9*T*LN(T)+0.0625E-3*T**2-0.68E-6*T**3<NL> -519.136E-24*T**7; 2183.00 Y<NL> -19617.51+311.055983*T-47.43*T*LN(T); 4000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_V 298.15<NL> -430.43+135.046053*T-24.134*T*LN(T)-3.098E-3*T**2+0.12175E-6*T**3+69460*T**(-1);<NL> 790.00 Y<NL> -467.842+144.991093*T-25.9*T*LN(T)+0.0625E-3*T**2-0.68E-6*T**3; 2183.00 Y<NL> -34189.864+322.840783*T-47.43*T*LN(T)+644.389E29*T**(-9); 4000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_V 298.15<NL> -3930.43+135.746053*T-24.134*T*LN(T)-3.098E-3*T**2+0.12175E-6*T**3<NL> +69460*T**(-1); 790.00 Y<NL> -3967.842+145.691093*T-25.9*T*LN(T)+0.0625E-3*T**2-0.68E-6*T**3; 2183.00 Y<NL> -37689.864+323.540783*T-47.43*T*LN(T)+644.389E29*T**(-9); 4000.00 N !
FUNCTION SGTE_CBCC_A12_ELEM_V 298.15<NL> 1069.57+133.346053*T-24.134*T*LN(T)-3.098E-3*T**2+0.12175E-6*T**3+69460*T**(-1);<NL> 790.00 Y<NL> 1032.158+143.291093*T-25.9*T*LN(T)+0.0625E-3*T**2-0.68E-6*T**3; 2183.00 Y<NL> -32689.864+321.140783*T-47.43*T*LN(T)+644.389E29*T**(-9); 4000.00 N !
FUNCTION SGTE_CUB_A13_ELEM_V 298.15<NL> 2069.57+133.346053*T-24.134*T*LN(T)-3.098E-3*T**2+0.12175E-6*T**3+69460*T**(-1);<NL> 790.00 Y<NL> 2032.158+143.291093*T-25.9*T*LN(T)+0.0625E-3*T**2-0.68E-6*T**3; 2183.00 Y<NL> -31689.864+321.140783*T-47.43*T*LN(T)+644.389E29*T**(-9); 4000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_W 298.15<NL> -7646.311+130.4*T-24.1*T*LN(T)-1.936E-3*T**2+0.207E-6*T**3+44500*T**(-1)<NL> -0.0533E-9*T**4; 3695.00 Y<NL> -82868.801+389.362335*T-54*T*LN(T)+1528.621E30*T**(-9); 6000.00 N !
FUNCTION SGTE_LIQUID_ELEM_W 298.15<NL> 44514.273+116.29001*T-24.1*T*LN(T)-1.936E-3*T**2+0.207E-6*T**3+44500*T**(-1)<NL> -0.0533E-9*T**4-2713.468E-27*T**7; 3695.00 Y<NL> -30436.051+375.175*T-54*T*LN(T); 6000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_W 298.15<NL> 11653.689+131.03*T-24.1*T*LN(T)-1.936E-3*T**2+0.207E-6*T**3+44500*T**(-1)<NL> -0.0533E-9*T**4; 3695.00 Y<NL> -63568.801+389.992335*T-54*T*LN(T)+1528.621E30*T**(-9); 6000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_W 298.15<NL> 7103.689+130.4*T-24.1*T*LN(T)-1.936E-3*T**2+0.207E-6*T**3+44500*T**(-1)<NL> -0.0533E-9*T**4; 3695.00 Y<NL> -68118.801+389.362335*T-54*T*LN(T)+1528.621E30*T**(-9); 6000.00 N !
FUNCTION SGTE_HCP_A3_ELEM_Y 100<NL> -8011.09379+128.572856*T-25.6656992*T*LN(T)<NL> -1.75716414E-3*T**2-4.17561786E-7*T**3+26911.509*T**(-1); 1000 Y<NL> -7179.74574+114.497104*T-23.4941827*T*LN(T)-3.8211802E-3*T**2<NL> -8.2534534E-8*T**3; 1795.15 Y<NL> -67480.7761+382.124727*T-56.9527111*T*LN(T)+2.31774379E-3*T**2<NL> -7.22513088E-8*T**3+18077162.6*T**(-1); 3700 N !
FUNCTION SGTE_BCC_A2_ELEM_Y 100<NL> -833.658863+123.667346*T-25.5832578*T*LN(T)<NL> -2.37175965E-3*T**2+9.10372497E-9*T**3+27340.0687*T**(-1); 1000 Y<NL> -1297.79829+134.528352*T-27.30384768*T*LN(T)-5.41757644E-4*T**2<NL> -3.05012175E-7*T**3; 1795.15 Y<NL> 15389.4975+0.981325399*T-8.88296647*T*LN(T)-9.04576576E-3*T**2<NL> +4.02944768E-7*T**3-2542575.96*T**(-1); 3700 N !
FUNCTION SGTE_LIQUID_ELEM_Y 100<NL> 2098.50738+119.418730*T-24.6467508*T*LN(T)<NL> -3.47023463E-3*T**2-8.12981167E-7*T**3+23713.7332*T**(-1); 1000 Y<NL> 7386.44846+19.4520171*T-9.06816270*T*LN(T)-1.89533369E-2*T**2<NL> +1.75953270E-6*T**3; 1795.15 Y<NL> -12976.5957+257.400783*T-43.0952000*T*LN(T); 3700 N !
FUNCTION SGTE_FCC_A1_ELEM_Y 100<NL> -2011.09379+128.572856*T-25.6656992*T*LN(T)<NL> -1.75716414E-3*T**2-4.17561786E-7*T**3+26911.509*T**(-1); 1000 Y<NL> -1179.74574+114.497104*T-23.4941827*T*LN(T)-3.8211802E-3*T**2<NL> -8.2534534E-8*T**3; 1795.15 Y<NL> -61480.7761+382.124727*T-56.9527111*T*LN(T)+2.31774379E-3*T**2<NL> -7.22513088E-8*T**3+18077162.6*T**(-1); 3700 N !
FUNCTION SGTE_FCC_A1_ELEM_YB 298.15<NL> -9370.941+189.327664*T-40.0791*T*LN(T)+42.27115E-3*T**2-22.242E-6*T**3;<NL> 553.00 Y<NL> -8192.154+121.065655*T-26.7591*T*LN(T)-2.56065E-3*T**2; 1033.00 Y<NL> 16034.89-89.478241*T+2.7623966*T*LN(T)-17.961331E-3*T**2+1.421719E-6*T**3<NL> -3631462*T**(-1); 2000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_YB 298.15<NL> -965.99-21.293677*T-3.8534432*T*LN(T)-30.009694E-3*T**2+4.743871E-6*T**3<NL> -334650*T**(-1); 1033.00 Y<NL> -13368.113+188.313864*T-36.1079*T*LN(T); 1097.00 Y<NL> -3911.847+113.174165*T-25.7402233*T*LN(T)-4.743348E-3*T**2+0.363044E-6*T**3<NL> -1553668*T**(-1); 2000.00 N !
FUNCTION SGTE_LIQUID_ELEM_YB 298.15<NL> 7030.788-40.615571*T-1.8061816*T*LN(T)-32.50938E-3*T**2+5.136665E-6*T**3<NL> -370554*T**(-1); 1033.00 Y<NL> -6445.835+186.690398*T-36.7774*T*LN(T); 2000.00 N !
FUNCTION SGTE_HCP_ZN_ELEM_ZN 298.15<NL> -7285.787+118.470069*T-23.701314*T*LN(T)-1.712034E-3*T**2-1.264963E-6*T**3;<NL> 692.68 Y<NL> -11070.559+172.34566*T-31.38*T*LN(T)+470.514E24*T**(-9); 1700.00 N !
FUNCTION SGTE_HCP_A3_ELEM_ZN 298.15<NL> -4315.967+116.900389*T-23.701314*T*LN(T)-1.712034E-3*T**2-1.264963E-6*T**3;<NL> 692.68 Y<NL> -8100.739+170.77598*T-31.38*T*LN(T)+470.514E24*T**(-9); 1700.00 N !
FUNCTION SGTE_LIQUID_ELEM_ZN 298.15<NL> -128.574+108.177079*T-23.701314*T*LN(T)-1.712034E-3*T**2-1.264963E-6*T**3<NL> -358.958E-21*T**7; 692.68 Y<NL> -3620.391+161.608594*T-31.38*T*LN(T); 1700.00 N !
FUNCTION SGTE_FCC_A1_ELEM_ZN 298.15<NL> -4315.967+116.900389*T-23.701314*T*LN(T)-1.712034E-3*T**2-1.264963E-6*T**3;<NL> 692.68 Y<NL> -8100.739+170.77598*T-31.38*T*LN(T)+470.514E24*T**(-9); 1700.00 N !
FUNCTION SGTE_BCC_A2_ELEM_ZN 298.15<NL> -4398.827+115.959669*T-23.701314*T*LN(T)-1.712034E-3*T**2-1.264963E-6*T**3;<NL> 692.68 Y<NL> -8183.599+169.83526*T-31.38*T*LN(T)+470.514E24*T**(-9); 1700.00 N !
FUNCTION SGTE_BCT_A5_ELEM_ZN 298.15<NL> -4398.827+115.959669*T-23.701314*T*LN(T)-1.712034E-3*T**2-1.264963E-6*T**3;<NL> 692.68 Y<NL> -8183.599+169.83526*T-31.38*T*LN(T)+470.514E24*T**(-9); 1700.00 N !
FUNCTION SGTE_DIAMOND_A4_ELEM_ZN 298.15<NL> -7285.787+148.470069*T-23.701314*T*LN(T)-1.712034E-3*T**2-1.264963E-6*T**3;<NL> 692.68 Y<NL> -11070.559+202.34566*T-31.38*T*LN(T)+470.514E24*T**(-9); 1700.00 N !
FUNCTION SGTE_RHOMBOHEDRAL_A7_ELEM_ZN 298.15<NL> -4985.787+129.970069*T-23.701314*T*LN(T)-1.712034E-3*T**2-1.264963E-6*T**3;<NL> 692.68 Y<NL> -8770.559+183.84566*T-31.38*T*LN(T)+470.514E24*T**(-9); 1700.00 N !
PARAMETER G(TETRAGONAL_A6,ELEM_ZN;0) 298.15<NL> -3101.787+118.470069*T-23.701314*T*LN(T)-1.712034E-3*T**2-1.264963E-6*T**3;<NL> 692.68 Y<NL> -6886.559+172.34566*T-31.38*T*LN(T)+470.514E24*T**(-9); 1700.00 N !
FUNCTION SGTE_CUB_A13_ELEM_ZN 298.15<NL> -5285.787+118.470069*T-23.701314*T*LN(T)-1.712034E-3*T**2-1.264963E-6*T**3;<NL> 692.68 Y<NL> -9070.559+172.34566*T-31.38*T*LN(T)+470.514E24*T**(-9); 1700.00 N !
FUNCTION SGTE_CBCC_A12_ELEM_ZN 298.15<NL> -5285.787+118.470069*T-23.701314*T*LN(T)-1.712034E-3*T**2-1.264963E-6*T**3;<NL> 692.68 Y<NL> -9070.559+172.34566*T-31.38*T*LN(T)+470.514E24*T**(-9); 1700.00 N !
FUNCTION SGTE_HCP_A3_ELEM_ZR 130.00<NL> -7827.595+125.64905*T-24.1618*T*LN(T)-4.37791E-3*T**2+34971*T**(-1); 2128.00 Y<NL> -26085.921+262.724183*T-42.144*T*LN(T)-1342.896E28*T**(-9); 6000.00 N !
FUNCTION SGTE_BCC_A2_ELEM_ZR 298.15<NL> -525.539+124.9457*T-25.607406*T*LN(T)-0.340084E-3*T**2-0.009729E-6*T**3<NL> +25233*T**(-1)-0.076143E-9*T**4; 2128.00 Y<NL> -30705.955+264.284163*T-42.144*T*LN(T)+1276.058E29*T**(-9); 6000.00 N !
FUNCTION SGTE_OMEGA_ELEM_ZR 298.15<NL> -8878.082+144.432234*T-26.8556*T*LN(T)-2.799446E-3*T**2+38376*T**(-1);<NL> 2128.00 Y<NL> -29500.524+265.290858*T-42.144*T*LN(T)+717.445E29*T**(-9); 6000.00 N !
FUNCTION SGTE_LIQUID_ELEM_ZR 298.15<NL> 10320.095+116.568238*T-24.1618*T*LN(T)-4.37791E-3*T**2+34971*T**(-1)<NL> +1627.5E-25*T**7; 2128.00 Y<NL> -8281.26+253.812609*T-42.144*T*LN(T); 6000.00 N !
FUNCTION SGTE_FCC_A1_ELEM_ZR 298.15<NL> -227.595+124.74905*T-24.1618*T*LN(T)-4.37791E-3*T**2+34971*T**(-1); 2128.00 Y<NL> -18485.921+261.824183*T-42.144*T*LN(T)-1342.896E28*T**(-9); 6000.00 N !
FUNCTION SGTE_CUB_A13_ELEM_ZR 298.15<NL> -296.395+125.64905*T-24.1618*T*LN(T)<NL> -4.37791E-3*T**2+34971*T**(-1); 2128.00 Y<NL> -18554.721+262.724183*T-42.144*T*LN(T)-1342.896E28*T**(-9); 6000.00 N !
FUNCTION SGTE_CBCC_A12_ELEM_ZR 298.15<NL> -3225.395+125.64905*T<NL> -24.1618*T*LN(T)-4.37791E-3*T**2+34971*T**(-1); 2128.00 Y <NL> -21483.721+262.724183*T-42.144*T*LN(T)-1342.896E28*T**(-9); 6000.00 N !
FUNCTION SGTE_ORTHORHOMBIC_A20_ELEM_ZR 298.15<NL> +4474.461+124.9457*T<NL> -25.607406*T*LN(T)-3.40084E-04*T**2-9.729E-09*T**3+25233*T**(-1)<NL> -7.6143E-11*T**4; 2128.00 Y<NL> -25705.955+264.284163*T-42.144*T*LN(T); 2500.00 N !
FUNCTION SGTE_TETRAGONAL_U_ELEM_ZR 298.15<NL> +4474.461+124.9457*T<NL> -25.607406*T*LN(T)-3.40084E-04*T**2-9.729E-09*T**3+25233*T**(-1)<NL> -7.6143E-11*T**4; 2128.00 Y<NL> -25705.955+264.284163*T-42.144*T*LN(T); 2500.00 N !

33
data/sgte_phases.tdb 100644
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@ -0,0 +1,33 @@
PHASE ALPHA_PU I 1 1 !
PHASE BCT_A5 I 1 1 !
PHASE BETA_PU I 1 1 !
PHASE BETA_RHOMBO_B I 1 1 !
PHASE CBCC_A12 I 2 1 1 !
PHASE CUB_A13 I 2 1 1 !
PHASE BCC_A2 I 2 1 3 !
PHASE BCT_AA I 1 1 !
PHASE DHCP I 1 1 !
PHASE DIAMOND_A4 I 1 1 !
PHASE FCC_A1 I 2 1 1 !
PHASE GAMMA_PU I 1 1 !
PHASE GAS % 1 1 !
PHASE GRAPHITE I 1 1 !
PHASE HCP_A3 I 2 1 .5 !
PHASE HCP_ZN % 2 1 .5 !
PHASE HEXAGONAL_A8 I 1 1 !
PHASE LIQUID I 1 1 !
PHASE MONOCLINIC I 1 1 !
PHASE OMEGA I 1 1 !
PHASE ORTHORHOMBIC_GA I 1 1 !
PHASE ORTHORHOMBIC_S I 1 1 !
PHASE ORTHORHOMBIC_A20 I 1 1 !
PHASE ORTHO_AC I 1 1 !
PHASE RED_P I 1 1 !
PHASE RHOMB_C19 I 1 1 !
PHASE RHOMBOHEDRAL_A7 I 1 1 !
PHASE RHOMBO_A10 I 1 1 !
PHASE TETRAGONAL_U I 1 1 !
PHASE TETRAGONAL_A6 I 1 1 !
PHASE TETRAG_AD I 1 1 !
PHASE TET_ALPHA1 I 1 1 !
PHASE WHITE_P I 1 1 !

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#!/bin/bash
corrdump -nop -noe -2=2 -3=1.5 -4=1.4 -ro -l=rndstr.in -clus
getclus

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#!/bin/bash
#SBATCH --time=3:00:00
#SBATCH --tasks-per-node=8
#SBATCH -J L10_lv1
for (( id=0 ; id<8 ; id++ ))
do
mcsqs -n=32 -ip=$id &
done
wait

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Objective_function= -7.888905

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data/sqsdb/AUCU_L10/sqsdb_lev=1_a=1_c=0.5,0.5/go 100755
View File

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#!/bin/bash
corrdump -nop -noe -2=2 -3=1.5 -4=1.4 -ro -l=rndstr.in -clus
getclus

10
data/sqsdb/AUCU_L10/sqsdb_lev=1_a=1_c=0.5,0.5/job.in 100755
View File

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#!/bin/bash
#SBATCH --time=3:00:00
#SBATCH --tasks-per-node=8
#SBATCH -J L10_lv1
for (( id=0 ; id<8 ; id++ ))
do
mcsqs -n=32 -ip=$id &
done
wait

8
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58
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Objective_function= -47.232612

38
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data/sqsdb/AUCU_L10/sqsdb_lev=2_a=0.5,0.5_c=0.5,0.5/clusters.out 100644
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data/sqsdb/AUCU_L10/sqsdb_lev=2_a=0.5,0.5_c=0.5,0.5/go 100755
View File

@ -0,0 +1,3 @@
#!/bin/bash
corrdump -nop -noe -2=1.8 -3=1.3 -4=1 -ro -l=rndstr.in -clus
getclus

10
data/sqsdb/AUCU_L10/sqsdb_lev=2_a=0.5,0.5_c=0.5,0.5/job.in 100755
View File

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#!/bin/bash
#SBATCH --time=3:00:00
#SBATCH --tasks-per-node=8
#SBATCH -J L10_lv2
for (( id=0 ; id<8 ; id++ ))
do
mcsqs -n=32 -ip=$id &
done
wait

8
data/sqsdb/AUCU_L10/sqsdb_lev=2_a=0.5,0.5_c=0.5,0.5/rndstr.in 100644
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12
data/sqsdb/AUCU_L10/sqsdb_lev=2_a=0.5,0.5_c=0.5,0.5/rndstrgrp.out 100644
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21
data/sqsdb/AUCU_L10/sqsdb_lev=3_a=0.75,0.25_c=1/bestcorr.out 100644
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Objective_function= -5.369806

38
data/sqsdb/AUCU_L10/sqsdb_lev=3_a=0.75,0.25_c=1/bestsqs.out 100644
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data/sqsdb/AUCU_L10/sqsdb_lev=3_a=0.75,0.25_c=1/clusters.out 100644
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1
data/sqsdb/AUCU_L10/sqsdb_lev=3_a=0.75,0.25_c=1/go 100644
View File

@ -0,0 +1 @@
corrdump -nop -noe -2=1.6 -3=1.5 -4=1.4 -ro -l=rndstr.in -clus

8
data/sqsdb/AUCU_L10/sqsdb_lev=3_a=0.75,0.25_c=1/rndstr.in 100644
View File

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10
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1
data/sqsdb/AUCU_L10/sqsdb_lev=3_a=0.75,0.25_c=1/sqsparam.in 100644
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@ -0,0 +1 @@
1 1 10

6
data/sqsdb/AUCU_L10/sqsgen.in 100644
View File

@ -0,0 +1,6 @@
level=0 a=1 c=1
level=1 a=0.5,0.5 c=1
level=1 a=1 c=0.5,0.5
level=2 a=0.5,0.5 c=0.5,0.5
level=3 a=0.75,0.25 c=1
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1
data/sqsdb/BCC_A2/coord.in 100644
View File

@ -0,0 +1 @@
8

5
data/sqsdb/BCC_A2/rndstr.skel 100644
View File

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7
data/sqsdb/BCC_A2/sqsdb_lev=0_a=1/bestsqs.out 100644
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0.000000 0.000000 0.000000 a_A

5
data/sqsdb/BCC_A2/sqsdb_lev=0_a=1/rndstr.in 100644
View File

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18
data/sqsdb/BCC_A2/sqsdb_lev=1_a=0.5,0.5/bestcorr.out 100644
View File

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Objective_function= -5.212568

54
data/sqsdb/BCC_A2/sqsdb_lev=1_a=0.5,0.5/bestsqs.out 100644
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120
data/sqsdb/BCC_A2/sqsdb_lev=1_a=0.5,0.5/clusters.out 100644
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2
data/sqsdb/BCC_A2/sqsdb_lev=1_a=0.5,0.5/go 100755
View File

@ -0,0 +1,2 @@
#!/bin/sh
corrdump -nop -noe -2=2.0 -3=1.5 -4=1.5 -ro -l=rndstr.in -clus ; getclus

12
data/sqsdb/BCC_A2/sqsdb_lev=1_a=0.5,0.5/job.in 100755
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@ -0,0 +1,12 @@
#!/bin/bash
#SBATCH --time=8:00:00
#SBATCH -p batch
#SBATCH --tasks-per-node=8
#SBATCH -J mcsqs
for (( id=0 ; id<8 ; id++ ))
do
mcsqs -n=48 -wr=20 -wn=0.75 -wd=1 -ip=$id &
done
wait

5
data/sqsdb/BCC_A2/sqsdb_lev=1_a=0.5,0.5/rndstr.in 100644
View File

@ -0,0 +1,5 @@
1 1 1 90 90 90
0.5 0.5 0.5
0.5 -0.5 0.5
0.5 0.5 -0.5
0 0 0 a_A=0.5,a_B=0.5

8
data/sqsdb/BCC_A2/sqsdb_lev=1_a=0.5,0.5/rndstrgrp.out 100644
View File

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0.000000 0.000000 0.000000 a_A=0.500000,a_B=0.500000

1
data/sqsdb/BCC_A2/sqsdb_lev=1_a=0.5,0.5/sqsparam.in 100644
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@ -0,0 +1 @@
1 10

43
data/sqsdb/BCC_A2/sqsdb_lev=2_a=0.75,0.25/bestcorr.out 100644
View File

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4 1.414214 0.000000 0.062500 -0.062500
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4 1.658312 0.052083 0.062500 -0.010417
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4 1.658312 0.057292 0.062500 -0.005208
4 1.658312 0.093750 0.062500 0.031250
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4 1.658312 0.078125 0.062500 0.015625
4 1.658312 0.083333 0.062500 0.020833
4 1.658312 0.031250 0.062500 -0.031250
4 1.658312 0.020833 0.062500 -0.041667
4 1.658312 0.020833 0.062500 -0.041667
4 1.658312 0.052083 0.062500 -0.010417
4 1.658312 0.062500 0.062500 0.000000
4 1.658312 0.031250 0.062500 -0.031250
4 1.658312 0.067708 0.062500 0.005208
4 1.658312 0.041667 0.062500 -0.020833
4 1.658312 0.093750 0.062500 0.031250
4 1.658312 0.020833 0.062500 -0.041667
4 1.658312 0.083333 0.062500 0.020833
4 1.658312 0.072917 0.062500 0.010417
Objective_function= -58.064011

38
data/sqsdb/BCC_A2/sqsdb_lev=2_a=0.75,0.25/bestsqs.out 100644
View File

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120
data/sqsdb/BCC_A2/sqsdb_lev=2_a=0.75,0.25/clusters.out 100644
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2
data/sqsdb/BCC_A2/sqsdb_lev=2_a=0.75,0.25/go 100755
View File

@ -0,0 +1,2 @@
#!/bin/sh
corrdump -nop -noe -2=2.0 -3=1.5 -4=1.5 -ro -l=rndstr.in -clus ; getclus

12
data/sqsdb/BCC_A2/sqsdb_lev=2_a=0.75,0.25/job.in 100755
View File

@ -0,0 +1,12 @@
#!/bin/bash
#SBATCH --time=8:00:00
#SBATCH -p batch
#SBATCH --tasks-per-node=8
#SBATCH -J mcsqs
for (( id=0 ; id<8 ; id++ ))
do
mcsqs -n=32 -wr=20 -wn=0.5 -ip=$id &
done
wait

5
data/sqsdb/BCC_A2/sqsdb_lev=2_a=0.75,0.25/rndstr.in 100644
View File

@ -0,0 +1,5 @@
1 1 1 90 90 90
0.5 0.5 0.5
0.5 -0.5 0.5
0.5 0.5 -0.5
0 0 0 a_A=0.75,a_B=0.25

8
data/sqsdb/BCC_A2/sqsdb_lev=2_a=0.75,0.25/rndstrgrp.out 100644
View File

@ -0,0 +1,8 @@
1.000000 0.000000 0.000000
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0.500000 -0.500000 0.500000
0.500000 0.500000 -0.500000
0.000000 0.000000 0.000000 a_A=0.750000,a_B=0.250000

41
data/sqsdb/BCC_A2/sqsdb_lev=3_a=0.33333,0.33333,0.33333/bestcorr.out 100644
View File

@ -0,0 +1,41 @@
2 0.866025 -0.003906 0.000000 -0.003906
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2 1.658312 0.003906 0.000000 0.003906
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3 1.000000 -0.005638 -0.000000 -0.005638
3 1.000000 -0.020297 -0.000000 -0.020297
3 1.000000 -0.005859 0.000000 -0.005859
3 1.000000 -0.022135 0.000000 -0.022135
3 1.000000 -0.004511 -0.000000 -0.004511
3 1.414214 -0.001953 0.000000 -0.001953
3 1.414214 0.006766 -0.000000 0.006766
3 1.414214 0.010149 -0.000000 0.010149
3 1.414214 -0.003906 0.000000 -0.003906
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3 1.414214 0.002255 -0.000000 0.002255
3 1.414214 0.009115 0.000000 0.009115
3 1.414214 0.001302 0.000000 0.001302
3 1.414214 -0.002255 -0.000000 -0.002255
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4 1.000000 0.002819 -0.000000 0.002819
4 1.000000 0.007812 0.000000 0.007812
Objective_function= -46.242716

54
data/sqsdb/BCC_A2/sqsdb_lev=3_a=0.33333,0.33333,0.33333/bestsqs.out 100644
View File

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274
data/sqsdb/BCC_A2/sqsdb_lev=3_a=0.33333,0.33333,0.33333/clusters.out 100644
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2
data/sqsdb/BCC_A2/sqsdb_lev=3_a=0.33333,0.33333,0.33333/go 100755
View File

@ -0,0 +1,2 @@
#!/bin/sh
corrdump -nop -noe -2=1.7 -3=1.5 -4=1.3 -ro -l=rndstr.in -clus ; getclus

12
data/sqsdb/BCC_A2/sqsdb_lev=3_a=0.33333,0.33333,0.33333/job.in 100755
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@ -0,0 +1,12 @@
#!/bin/bash
#SBATCH --time=8:00:00
#SBATCH -p batch
#SBATCH --tasks-per-node=8
#SBATCH -J mcsqs
for (( id=0 ; id<8 ; id++ ))
do
mcsqs -n=48 -wr=20 -wn=0.75 -wd=1 -ip=$id &
done
wait

5
data/sqsdb/BCC_A2/sqsdb_lev=3_a=0.33333,0.33333,0.33333/rndstr.in 100644
View File

@ -0,0 +1,5 @@
1 1 1 90 90 90
0.5 0.5 0.5
0.5 -0.5 0.5
0.5 0.5 -0.5
0 0 0 a_A=0.33333,a_B=0.33333,a_C=0.33333

8
data/sqsdb/BCC_A2/sqsdb_lev=3_a=0.33333,0.33333,0.33333/rndstrgrp.out 100644
View File

@ -0,0 +1,8 @@
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0.000000 0.000000 0.000000 a_A=0.333330,a_B=0.333330,a_C=0.333330

41
data/sqsdb/BCC_A2/sqsdb_lev=4_a=0.5,0.25,0.25/bestcorr.out 100644
View File

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3 1.414214 -0.005859 -0.000000 -0.005859
3 1.414214 -0.001953 -0.000000 -0.001953
3 1.414214 0.003383 -0.000000 0.003383
3 1.414214 0.001953 -0.015625 0.017578
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4 1.000000 -0.000000 0.000000 -0.000000
4 1.000000 -0.005920 0.000000 -0.005920
4 1.000000 -0.002930 0.000000 -0.002930
Objective_function= -62.963706

38
data/sqsdb/BCC_A2/sqsdb_lev=4_a=0.5,0.25,0.25/bestsqs.out 100644
View File

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2.500000 -1.500000 1.500000 a_B
3.000000 -2.000000 2.000000 a_A

274
data/sqsdb/BCC_A2/sqsdb_lev=4_a=0.5,0.25,0.25/clusters.out 100644
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2
data/sqsdb/BCC_A2/sqsdb_lev=4_a=0.5,0.25,0.25/go 100755
View File

@ -0,0 +1,2 @@
#!/bin/sh
corrdump -nop -noe -2=1.7 -3=1.5 -4=1.3 -ro -l=rndstr.in -clus ; getclus

12
data/sqsdb/BCC_A2/sqsdb_lev=4_a=0.5,0.25,0.25/job.in 100755
View File

@ -0,0 +1,12 @@
#!/bin/bash
#SBATCH --time=8:00:00
#SBATCH -p batch
#SBATCH --tasks-per-node=8
#SBATCH -J mcsqs
for (( id=0 ; id<8 ; id++ ))
do
mcsqs -n=32 -wr=20 -wn=0.75 -wd=1 -ip=$id &
done
wait

5
data/sqsdb/BCC_A2/sqsdb_lev=4_a=0.5,0.25,0.25/rndstr.in 100644
View File

@ -0,0 +1,5 @@
1 1 1 90 90 90
0.5 0.5 0.5
0.5 -0.5 0.5
0.5 0.5 -0.5
0 0 0 a_A=0.5,a_B=0.25,a_C=0.25

8
data/sqsdb/BCC_A2/sqsdb_lev=4_a=0.5,0.25,0.25/rndstrgrp.out 100644
View File

@ -0,0 +1,8 @@
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23
data/sqsdb/BCC_A2/sqsdb_lev=5_a=0.625,0.375/bestcorr.out 100644
View File

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Objective_function= -53.388169

38
data/sqsdb/BCC_A2/sqsdb_lev=5_a=0.625,0.375/bestsqs.out 100644
View File

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data/sqsdb/BCC_A2/sqsdb_lev=5_a=0.625,0.375/clusters.out 100644
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