# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2018--Smirnova-D-E-Starikov-S-V-Vlasova-A-M--Mg-H
# implementation = 2018--Smirnova-D-E--Mg-H--LAMMPS--ipr1
# composition = H2Mg
# NOTE: These values are for static, unrelaxed structures and use the ideal
# b/a and c/a ratios for the crystal structure, not the potential-specific
# values.

# Calculations from the NIST Interatomic Potential Repository Project:
# http://www.ctcms.nist.gov/potentials/

# Table generated 2022-05-24

r    C1--CaF2--fluori 
0.50  nan             
0.52  nan             
0.54  nan             
0.56  nan             
0.58  nan             
0.60  nan             
0.62  nan             
0.64  nan             
0.66  nan             
0.68  nan             
0.70  nan             
0.72  nan             
0.74  nan             
0.76  nan             
0.78  nan             
0.80  nan             
0.82  nan             
0.84  nan             
0.86  nan             
0.88  nan             
0.90  nan             
0.92  nan             
0.94  nan             
0.96  4.254511174e+01 
0.98  3.894919181e+01 
1.00  3.571445124e+01 
1.02  3.277333680e+01 
1.04  3.007044179e+01 
1.06  2.757229997e+01 
1.08  2.526007486e+01 
1.10  2.311091181e+01 
1.12  2.100063897e+01 
1.14  1.907122679e+01 
1.16  1.723860708e+01 
1.18  1.550962888e+01 
1.20  1.386986412e+01 
1.22  1.233270668e+01 
1.24  1.090089562e+01 
1.26  9.555830879e+00 
1.28  8.300666907e+00 
1.30  7.142838115e+00 
1.32  6.080390052e+00 
1.34  5.110656850e+00 
1.36  4.238408396e+00 
1.38  3.453060315e+00 
1.40  2.733795295e+00 
1.42  2.070018367e+00 
1.44  1.465536050e+00 
1.46  9.329408181e-01 
1.48  4.658034482e-01 
1.50  5.244836812e-02 
1.52 -3.187387708e-01 
1.54 -6.537144510e-01 
1.56 -9.448864029e-01 
1.58 -1.194005948e+00 
1.60 -1.406813132e+00 
1.62 -1.592606247e+00 
1.64 -1.760535239e+00 
1.66 -1.919128700e+00 
1.68 -2.070578336e+00 
1.70 -2.209031877e+00 
1.72 -2.331647008e+00 
1.74 -2.435863387e+00 
1.76 -2.520356067e+00 
1.78 -2.586507851e+00 
1.80 -2.671458794e+00 
1.82 -2.716121386e+00 
1.84 -2.746908031e+00 
1.86 -2.776065581e+00 
1.88 -2.797479229e+00 
1.90 -2.816820469e+00 
1.92 -2.836829890e+00 
1.94 -2.857828781e+00 
1.96 -2.879341442e+00 
1.98 -2.899524728e+00 
2.00 -2.915653138e+00 
2.02 -2.925270147e+00 
2.04 -2.929373961e+00 
2.06 -2.930406660e+00 
2.08 -2.930449660e+00 
2.10 -2.930015511e+00 
2.12 -2.926292286e+00 
2.14 -2.916352897e+00 
2.16 -2.900386399e+00 
2.18 -2.878782330e+00 
2.20 -2.851382733e+00 
2.22 -2.817661731e+00 
2.24 -2.776792831e+00 
2.26 -2.727774434e+00 
2.28 -2.670688100e+00 
2.30 -2.606244374e+00 
2.32 -2.535994912e+00 
2.34 -2.462384930e+00 
2.36 -2.388539486e+00 
2.38 -2.317645794e+00 
2.40 -2.251710949e+00 
2.42 -2.192567277e+00 
2.44 -2.142116105e+00 
2.46 -2.100308907e+00 
2.48 -2.066098545e+00 
2.50 -2.039311485e+00 
2.52 -2.018220041e+00 
2.54 -2.000199094e+00 
2.56 -1.984817910e+00 
2.58 -1.971747786e+00 
2.60 -1.960865203e+00 
2.62 -1.952039698e+00 
2.64 -1.945108329e+00 
2.66 -1.939968918e+00 
2.68 -1.936501508e+00 
2.70 -1.934558599e+00 
2.72 -1.933954374e+00 
2.74 -1.934385787e+00 
2.76 -1.935196783e+00 
2.78 -1.935892044e+00 
2.80 -1.935945245e+00 
2.82 -1.934829317e+00 
2.84 -1.932129415e+00 
2.86 -1.927462380e+00 
2.88 -1.920377354e+00 
2.90 -1.910320837e+00 
2.92 -1.896642585e+00 
2.94 -1.878742117e+00 
2.96 -1.856801548e+00 
2.98 -1.831309838e+00 
3.00 -1.802705868e+00 
3.02 -1.771588449e+00 
3.04 -1.738799441e+00 
3.06 -1.705467998e+00 
3.08 -1.673038063e+00 
3.10 -1.643280370e+00 
3.12 -1.618103413e+00 
3.14 -1.598144418e+00 
3.16 -1.583155517e+00 
3.18 -1.572101273e+00 
3.20 -1.564414997e+00 
3.22 -1.559566620e+00 
3.24 -1.557060110e+00 
3.26 -1.556483578e+00 
3.28 -1.557416332e+00 
3.30 -1.559148687e+00 
3.32 -1.559966750e+00 
3.34 -1.559695170e+00 
3.36 -1.558368117e+00 
3.38 -1.555979057e+00 
3.40 -1.552474689e+00 
3.42 -1.547734906e+00 
3.44 -1.541549240e+00 
3.46 -1.533609972e+00 
3.48 -1.523596892e+00 
3.50 -1.511356252e+00 
3.52 -1.496984116e+00 
3.54 -1.480726174e+00 
3.56 -1.462957119e+00 
3.58 -1.444145854e+00 
3.60 -1.424820126e+00 
3.62 -1.405529222e+00 
3.64 -1.386831012e+00 
3.66 -1.369229119e+00 
3.68 -1.352957968e+00 
3.70 -1.338117749e+00 
3.72 -1.324769524e+00 
3.74 -1.312947927e+00 
3.76 -1.302665670e+00 
3.78 -1.294015042e+00 
3.80 -1.286663926e+00 
3.82 -1.280832647e+00 
3.84 -1.276713086e+00 
3.86 -1.274231999e+00 
3.88 -1.272379497e+00 
3.90 -1.270561469e+00 
3.92 -1.268720793e+00 
3.94 -1.266800282e+00 
3.96 -1.264745733e+00 
3.98 -1.262506729e+00 
4.00 -1.260033887e+00 
4.02 -1.257276280e+00 
4.04 -1.254183759e+00 
4.06 -1.250703795e+00 
4.08 -1.246783140e+00 
4.10 -1.242365438e+00 
4.12 -1.237392640e+00 
4.14 -1.231801745e+00 
4.16 -1.225524175e+00 
4.18 -1.218487254e+00 
4.20 -1.210615952e+00 
4.22 -1.201897108e+00 
4.24 -1.192394767e+00 
4.26 -1.182176728e+00 
4.28 -1.171295654e+00 
4.30 -1.159803067e+00 
4.32 -1.147754272e+00 
4.34 -1.135205680e+00 
4.36 -1.122206847e+00 
4.38 -1.108808015e+00 
4.40 -1.095062706e+00 
4.42 -1.081031452e+00 
4.44 -1.066777680e+00 
4.46 -1.052370655e+00 
4.48 -1.037883300e+00 
4.50 -1.023390103e+00 
4.52 -1.008967589e+00 
4.54 -9.946955095e-01 
4.56 -9.806476433e-01 
4.58 -9.668610451e-01 
4.60 -9.533596638e-01 
4.62 -9.401661674e-01 
4.64 -9.273049950e-01 
4.66 -9.147985316e-01 
4.68 -9.026662623e-01 
4.70 -8.909229210e-01 
4.72 -8.795839724e-01 
4.74 -8.686636880e-01 
4.76 -8.581766831e-01 
4.78 -8.481325467e-01 
4.80 -8.385377220e-01 
4.82 -8.293968861e-01 
4.84 -8.207160219e-01 
4.86 -8.124961025e-01 
4.88 -8.047024759e-01 
4.90 -7.972752921e-01 
4.92 -7.901637090e-01 
4.94 -7.833252027e-01 
4.96 -7.767172677e-01 
4.98 -7.702944082e-01 
5.00 -7.640126621e-01 
5.02 -7.578259022e-01 
5.04 -7.516883850e-01 
5.06 -7.455529819e-01 
5.08 -7.393729903e-01 
5.10 -7.330988414e-01 
5.12 -7.266800498e-01 
5.14 -7.200658861e-01 
5.16 -7.132067676e-01 
5.18 -7.060858905e-01 
5.20 -6.987238318e-01 
5.22 -6.911507873e-01 
5.24 -6.834001061e-01 
5.26 -6.755031225e-01 
5.28 -6.674588353e-01 
5.30 -6.592503832e-01 
5.32 -6.508604497e-01 
5.34 -6.422714190e-01 
5.36 -6.334653320e-01 
5.38 -6.244244044e-01 
5.40 -6.151380905e-01 
5.42 -6.056019481e-01 
5.44 -5.958113152e-01 
5.46 -5.857418809e-01 
5.48 -5.749709912e-01 
5.50 -5.632771398e-01 
5.52 -5.505905659e-01 
5.54 -5.368396206e-01 
5.56 -5.219503082e-01 
5.58 -5.058464591e-01 
5.60 -4.884493949e-01 
5.62 -4.697434469e-01 
5.64 -4.498592454e-01 
5.66 -4.289501653e-01 
5.68 -4.071739630e-01 
5.70 -3.846895376e-01 
5.72 -3.616507139e-01 
5.74 -3.382141561e-01 
5.76 -3.145411487e-01 
5.78 -2.907972509e-01 
5.80 -2.671524914e-01 
5.82 -2.437804116e-01 
5.84 -2.208578130e-01 
5.86 -1.985641286e-01 
5.88 -1.770807722e-01 
5.90 -1.565906169e-01 
5.92 -1.372771783e-01 
5.94 -1.193243092e-01 
5.96 -1.029041489e-01 
5.98 -8.803994290e-02 
6.00 -7.464685142e-02