# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Starikov-S-Grigorev-P-Olsson-P-A-T--W-Mo-Nb
# implementation = 2024--Starikov-S--W-Mo-Nb--LAMMPS--ipr1
# composition = Nb2W
# 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 2024-01-04

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  1.780277160e+11 
0.98  1.190208726e+11 
1.00  7.957169853e+10 
1.02  5.319785539e+10 
1.04  3.556555779e+10 
1.06  2.377744209e+10 
1.08  1.589646844e+10 
1.10  1.062762409e+10 
1.12  7.105125097e+09 
1.14  4.750149557e+09 
1.16  3.175724685e+09 
1.18  2.123138902e+09 
1.20  1.419429957e+09 
1.22  9.489635132e+08 
1.24  6.344319669e+08 
1.26  4.241511125e+08 
1.28  2.835673261e+08 
1.30  1.895796887e+08 
1.32  1.267440208e+08 
1.34  8.473507817e+07 
1.36  5.664989375e+07 
1.38  3.787347260e+07 
1.40  2.532044757e+07 
1.42  1.692808896e+07 
1.44  1.131735475e+07 
1.46  7.566282920e+06 
1.48  5.058494076e+06 
1.50  3.381905126e+06 
1.52  2.261016668e+06 
1.54  1.511643496e+06 
1.56  1.010647811e+06 
1.58  6.757055198e+05 
1.60  4.517787358e+05 
1.62  3.020717857e+05 
1.64  2.019845601e+05 
1.66  1.350707134e+05 
1.68  9.033516330e+04 
1.70  6.042699134e+04 
1.72  4.043171202e+04 
1.74  2.706376336e+04 
1.76  1.812657831e+04 
1.78  1.215173200e+04 
1.80  8.157458007e+03 
1.82  5.486958403e+03 
1.84  3.701509312e+03 
1.86  2.507894119e+03 
1.88  1.709928331e+03 
1.90  1.176443739e+03 
1.92  8.197260361e+02 
1.94  5.811413086e+02 
1.96  4.215497463e+02 
1.98  3.148618854e+02 
2.00  2.436627502e+02 
2.02  1.962679878e+02 
2.04  1.648005705e+02 
2.06  1.437801980e+02 
2.08  1.295341693e+02 
2.10  1.198784136e+02 
2.12  1.141211355e+02 
2.14  1.095363157e+02 
2.16  1.061990531e+02 
2.18  1.039958550e+02 
2.20  1.023498090e+02 
2.22  8.724870451e+01 
2.24  6.254300865e+01 
2.26  4.311382902e+01 
2.28  2.823456746e+01 
2.30  1.715812181e+01 
2.32  9.177900677e+00 
2.34  3.166041751e+00 
2.36 -1.337300323e+00 
2.38 -4.156636086e+00 
2.40 -5.362593714e+00 
2.42 -5.712680170e+00 
2.44 -5.888575891e+00 
2.46 -5.959174119e+00 
2.48 -6.102877407e+00 
2.50 -6.233042825e+00 
2.52 -6.373300904e+00 
2.54 -6.516006298e+00 
2.56 -6.677892319e+00 
2.58 -6.820738483e+00 
2.60 -6.943277327e+00 
2.62 -7.023556286e+00 
2.64 -7.070500507e+00 
2.66 -7.088179168e+00 
2.68 -7.088272974e+00 
2.70 -7.080555193e+00 
2.72 -7.066355510e+00 
2.74 -7.049760305e+00 
2.76 -7.037896697e+00 
2.78 -7.032634506e+00 
2.80 -7.025728491e+00 
2.82 -7.011410692e+00 
2.84 -6.984616433e+00 
2.86 -6.946670718e+00 
2.88 -6.902304219e+00 
2.90 -6.856172810e+00 
2.92 -6.808564332e+00 
2.94 -6.754860354e+00 
2.96 -6.694063216e+00 
2.98 -6.617657442e+00 
3.00 -6.547457471e+00 
3.02 -6.496169852e+00 
3.04 -6.481586334e+00 
3.06 -6.497533038e+00 
3.08 -6.513680186e+00 
3.10 -6.500907183e+00 
3.12 -6.437728265e+00 
3.14 -6.325843315e+00 
3.16 -6.170232775e+00 
3.18 -5.978953304e+00 
3.20 -5.777574529e+00 
3.22 -5.610517162e+00 
3.24 -5.522766605e+00 
3.26 -5.486522325e+00 
3.28 -5.451437040e+00 
3.30 -5.412906691e+00 
3.32 -5.367517921e+00 
3.34 -5.314313118e+00 
3.36 -5.253298958e+00 
3.38 -5.184407890e+00 
3.40 -5.107505693e+00 
3.42 -5.021924797e+00 
3.44 -4.927634048e+00 
3.46 -4.824885615e+00 
3.48 -4.714620999e+00 
3.50 -4.604719624e+00 
3.52 -4.508334509e+00 
3.54 -4.435816119e+00 
3.56 -4.395326300e+00 
3.58 -4.383502367e+00 
3.60 -4.385535265e+00 
3.62 -4.386286338e+00 
3.64 -4.371373992e+00 
3.66 -4.337652146e+00 
3.68 -4.292675938e+00 
3.70 -4.241882866e+00 
3.72 -4.190659143e+00 
3.74 -4.140126523e+00 
3.76 -4.082904530e+00 
3.78 -4.010387560e+00 
3.80 -3.914350775e+00 
3.82 -3.792565317e+00 
3.84 -3.649336986e+00 
3.86 -3.489328263e+00 
3.88 -3.317633198e+00 
3.90 -3.139917971e+00 
3.92 -2.962897307e+00 
3.94 -2.793249089e+00 
3.96 -2.632673744e+00 
3.98 -2.481202833e+00 
4.00 -2.338770546e+00 
4.02 -2.205455225e+00 
4.04 -2.081811175e+00 
4.06 -1.969090713e+00 
4.08 -1.867481479e+00 
4.10 -1.775713989e+00 
4.12 -1.692884118e+00 
4.14 -1.619045599e+00 
4.16 -1.553938635e+00 
4.18 -1.497394264e+00 
4.20 -1.450103017e+00 
4.22 -1.414912908e+00 
4.24 -1.392907620e+00 
4.26 -1.383197396e+00 
4.28 -1.384201182e+00 
4.30 -1.393740307e+00 
4.32 -1.409220936e+00 
4.34 -1.428203244e+00 
4.36 -1.450052123e+00 
4.38 -1.474662861e+00 
4.40 -1.501910126e+00 
4.42 -1.531650991e+00 
4.44 -1.563739880e+00 
4.46 -1.597412807e+00 
4.48 -1.631095706e+00 
4.50 -1.664604184e+00 
4.52 -1.697932017e+00 
4.54 -1.731047091e+00 
4.56 -1.763893861e+00 
4.58 -1.796815130e+00 
4.60 -1.830647098e+00 
4.62 -1.864539793e+00 
4.64 -1.896305113e+00 
4.66 -1.923903402e+00 
4.68 -1.945474702e+00 
4.70 -1.959223735e+00 
4.72 -1.963337995e+00 
4.74 -1.956439517e+00 
4.76 -1.939966798e+00 
4.78 -1.916568481e+00 
4.80 -1.888933997e+00 
4.82 -1.859725962e+00 
4.84 -1.831312640e+00 
4.86 -1.806102289e+00 
4.88 -1.785814383e+00 
4.90 -1.769173623e+00 
4.92 -1.754390546e+00 
4.94 -1.740634092e+00 
4.96 -1.727332727e+00 
4.98 -1.713867448e+00 
5.00 -1.699696237e+00 
5.02 -1.685703362e+00 
5.04 -1.673882803e+00 
5.06 -1.663921944e+00 
5.08 -1.654760662e+00 
5.10 -1.644812489e+00 
5.12 -1.632653078e+00 
5.14 -1.617216716e+00 
5.16 -1.597808021e+00 
5.18 -1.575134059e+00 
5.20 -1.550012181e+00 
5.22 -1.523262263e+00 
5.24 -1.495825048e+00 
5.26 -1.468818619e+00 
5.28 -1.443285209e+00 
5.30 -1.419439974e+00 
5.32 -1.397251249e+00 
5.34 -1.376714799e+00 
5.36 -1.357848710e+00 
5.38 -1.339660428e+00 
5.40 -1.318365332e+00 
5.42 -1.293271248e+00 
5.44 -1.264957698e+00 
5.46 -1.234200496e+00 
5.48 -1.201849493e+00 
5.50 -1.168864702e+00 
5.52 -1.136324709e+00 
5.54 -1.105355060e+00 
5.56 -1.075793646e+00 
5.58 -1.046108392e+00 
5.60 -1.014389331e+00 
5.62 -9.783157610e-01 
5.64 -9.350279935e-01 
5.66 -8.808503377e-01 
5.68 -8.125208639e-01 
5.70 -7.337337554e-01 
5.72 -6.525303714e-01 
5.74 -5.752831294e-01 
5.76 -5.112033621e-01 
5.78 -4.729331113e-01 
5.80 -4.763789387e-01 
5.82 -5.229463195e-01 
5.84 -5.932518385e-01 
5.86 -6.711074826e-01 
5.88 -7.453948434e-01 
5.90 -8.077636622e-01 
5.92 -8.507634673e-01 
5.94 -8.668812884e-01 
5.96 -8.539920484e-01 
5.98 -8.157072162e-01 
6.00 -7.549843981e-01