[alpha%20Fe]
space_group=229
lattice_a=2.866
lattice_b=0
lattice_c=0
lattice_alpha=90
lattice_beta=90
lattice_gamma=90
atom0=Fe 9.45 0.4 2.56 55.85 1 0 0 0
debye_temp=464
mph_c2=10.584

[Al]
space_group=225
lattice_a=4.049
lattice_b=0
lattice_c=0
lattice_alpha=90
lattice_beta=90
lattice_gamma=90
atom0=Al 3.449 0.008 0.23 26.98 429 0.0 0.0 0.0
debye_temp=429
mph_c2=6.62

[Na]
space_group=225
lattice_a=5.64
lattice_b=0
lattice_c=0
lattice_alpha=90
lattice_beta=90
lattice_gamma=90
atom0=Na 3.63 1.62 0.53 22.99 158 0.0 0.0 0.0

[Mg]
space_group=194
lattice_a=3.209
lattice_b=0
lattice_c=5.211
lattice_alpha=0
lattice_beta=0
lattice_gamma=0
atom0=Mg 5.375 0.08 0.063 24.31 400 0.0 0.0 0.0

[Cu]
space_group=225
lattice_a=3.61
lattice_b=0
lattice_c=5.211
lattice_alpha=0
lattice_beta=0
lattice_gamma=0
atom0=Cu 7.718 0.55 3.769 63.55 344.5 0.0 0.0 0.0

[Zn]
space_group=194
lattice_a=2.66
lattice_b=0
lattice_c=4.95
lattice_alpha=0
lattice_beta=0
lattice_gamma=0
atom0=Zn 5.680 0.077 1.107 65.39 300 0.0 0.0 0.0

[NaCl]
space_group=225
lattice_a=5.64
lattice_b=0
lattice_c=4.95
lattice_alpha=0
lattice_beta=0
lattice_gamma=0
atom0=Na 3.63 1.62 0.53 22.99 158 0.0 0.0 0.0
atom1=Cl 9.577 5.3 33.5 35.45 300 0.5 0.5 0.5

[Cementite]
space_group=62
lattice_a=4.515
lattice_b=5.084
lattice_c=6.747
lattice_alpha=90
lattice_beta=90
lattice_gamma=90
atom0=Fe 9.45 0.4 2.56 55.85 464 0.1846 0.0594 0.334
atom1=Fe 9.45 0.4 2.56 55.85 464 0.5346 0.25 0.6623
atom2=C 6.646 0.001 0.004 12.011 2230 0.3984 0.25 0.0526

[SiO2_test]
space_group=154
lattice_a=4.912
lattice_b=0
lattice_c=5.404
lattice_alpha=90
lattice_beta=90
lattice_gamma=120
atom0=O 5.803 0.0008 0.0002 15.9994 300 0.4136 0.2676 0.7857
atom1=Si 4.1491 0.004 0.171 28.0855 645 0.4704 0 0.666666

[C]
space_group=194
lattice_a=2.47
lattice_b=2.47
lattice_c=6.79
lattice_alpha=90
lattice_beta=90
lattice_gamma=120
atom0=C 6.646 0.001 0.0035 12.01 429 0.0 0.0 0.0
atom1=C 6.646 0.001 0.0035 12.01 429 0.33333 0.66666 0.05

[Si]
space_group=227:1
lattice_a=5.431
lattice_b=5.431
lattice_c=5.431
lattice_alpha=90
lattice_beta=90
lattice_gamma=90
atom0=Si 4.1491 0.004 0.171 28.0855 280 0 0 0

[V]
space_group=229
lattice_a=3.03
lattice_b=3.03
lattice_c=3.03
lattice_alpha=90
lattice_beta=90
lattice_gamma=90
atom0=V -0.382 5.08 5.08 50.941 380 0.0 0.0 0.0

[Martensite]
space_group=139
lattice_a=2.856
lattice_b=2.856
lattice_c=2.96
lattice_alpha=90
lattice_beta=90
lattice_gamma=90
atom0=Fe 9.45 0.4 2.56 55.85 464 0.0 0.0 0.0

[WC]
space_group=187
lattice_a=2.88
lattice_b=2.88
lattice_c=2.82
lattice_alpha=90
lattice_beta=90
lattice_gamma=120
atom0=W 4.86 1.63 18.3 183.85 400 0 0 0
atom1=C 6.646 0.001 0.0035 12.01 2230 0.66666 0.3333 0.5

[Co]
space_group=194
lattice_a=2.507
lattice_b=2.507
lattice_c=4.069
lattice_alpha=90
lattice_beta=90
lattice_gamma=120
atom0=C 2.47 4.8 37.18 58.93 429 0.3333 0.66666 0.25

[Be]
space_group=194
lattice_a=2.286
lattice_b=0
lattice_c=3.584
lattice_alpha=90
lattice_beta=90
lattice_gamma=120
atom0=Be 7.79 0.0018 0.0076 9.01 1100 0.0 0.0 0.0

[alpha_Al2O3]
space_group=167:H
lattice_a=4.761
lattice_b=4.761
lattice_c=12.994
lattice_alpha=90
lattice_beta=90
lattice_gamma=120
atom0=Al 3.449 0.008 0.23 26.98 1040 0 0 0.8523
atom1=O 5.803 0.0008 0.0002 15.9994 1040 0.3065 0 0.25

[Nb]
space_group=229
lattice_a=3.3004
lattice_b=0
lattice_c=0
lattice_alpha=90
lattice_beta=90
lattice_gamma=90
atom0=Nb 7.054 0.0024 1.15 92.9063 429 0.0 0.0 0.0

[Corundum]
space_group=167:H
lattice_a=4.761
lattice_b=0
lattice_c=12.996
lattice_alpha=90
lattice_beta=90
lattice_gamma=120
atom0=Al 3.449 0.008 0.23 26.98 429 0.0 0.0 0.3521
atom1=O 5.803 0.008 0.0002 15.9994 300 0.6937 0 0.25
debye_temp=300
mph_c2=6.055

[Ti]
space_group=194
lattice_a=2.95
lattice_b=0
lattice_c=4.69
lattice_alpha=90
lattice_beta=90
lattice_gamma=120
atom0=Ti -3.438 2.87 6.09 47.867 429 0.3333 0.6667 0.25

[AISI%20304L]
space_group=225
lattice_a=3.59
lattice_b=3.59
lattice_c=3.59
lattice_alpha=90
lattice_beta=90
lattice_gamma=90
debye_temp=300
mph_c2=10.6
atom0=Fe 9.45 0.4 2.56 55.9 0.682 0 0 0
atom1=C 6.65 0.001 0.0035 12 0.0003 0 0 0
atom2=Mn -3.73 0.4 13.3 54.9 0.02 0 0 0
atom3=Si 4.15 0.004 0.171 28.1 0.01 0 0 0
atom4=Ni 10.3 5.2 4.49 58.7 0.1 0 0 0
atom5=Cr 3.63 1.83 3.05 52 0.18 0 0 0
atom6=Mo 6.71 0.04 2.48 95.9 0.0075 0 0 0

[Ni]
space_group=225
lattice_a=3.587
lattice_b=3.587
lattice_c=3.587
lattice_alpha=90
lattice_beta=90
lattice_gamma=90
debye_temp=300
mph_c2=10.584
atom0=Fe 8.04 0.4 2.56 55.374 464 0.0 0.0 0.0

[Inconel]
space_group=225
lattice_a=3.595
lattice_b=3.587
lattice_c=4.33
lattice_alpha=90
lattice_beta=90
lattice_gamma=90
debye_temp=300
mph_c2=0
atom0=Ni 8.546 3.366 3.696 58.51 450 0 0 0

[LiC12]
space_group=191
lattice_a=4.288
lattice_b=3.587
lattice_c=7.066
lattice_alpha=90
lattice_beta=90
lattice_gamma=120
debye_temp=300
mph_c2=10.584
atom0=Li -1.9 0.92 70.5 6.941 448 0.0 0.0 0.0
atom1=C 6.646 0.001 0.003 12.01 1550 0 0 0

[LiC6]
space_group=191
lattice_a=4.28
lattice_b=3.587
lattice_c=3.7
lattice_alpha=90
lattice_beta=90
lattice_gamma=120
debye_temp=300
mph_c2=10.584
atom0=Li -1.9 0.92 70.5 6.941 448 0 0 0
atom1=C 6.646 0.001 0.003 12.01 1550 0.333 0 0.5

[X1CrNiMoCu12-7-3]
space_group=229
lattice_a=2.866
lattice_b=3.59
lattice_c=3.59
lattice_alpha=90
lattice_beta=90
lattice_gamma=90
debye_temp=300
mph_c2=10.6
atom0=Fe 9.45 0.4 2.56 55.9 0.76877 0 0 0
atom1=C 6.65 0.001 0.0035 12 6e-05 0 0 0
atom2=Mn -3.73 0.4 13.3 54.9 0.0187 0 0 0
atom3=Si 4.15 0.004 0.171 28.1 0.00294 0 0 0
atom4=Ni 10.3 5.2 4.49 58.7 0.06498 0 0 0
atom5=Cr 3.63 1.83 3.05 52 0.1165 0 0 0
atom6=Mo 6.71 0.04 2.48 95.9 0.0233 0 0 0
atom7=Co 2.49 4.8 37.18 58.93 0.00475 0 0 0

[gamma%20Fe]
space_group=225
lattice_a=3.587
lattice_b=3.587
lattice_c=3.587
lattice_alpha=90
lattice_beta=90
lattice_gamma=90
debye_temp=464
mph_c2=10.584
atom0=Fe 9.45 0.4 2.56 55.85 1 0 0 0