# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2021--Song-H-Mendelev-M-I--Al-Sm
# implementation = 2021--Song-H--Al-Sm--LAMMPS--ipr1
# composition = AlSm2
# 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  nan             
0.98  nan             
1.00  nan             
1.02  nan             
1.04  nan             
1.06  nan             
1.08  nan             
1.10  nan             
1.12  nan             
1.14  nan             
1.16 -8.111061418e+05 
1.18 -6.930881137e+05 
1.20 -5.828901883e+05 
1.22 -4.798808799e+05 
1.24 -3.854327891e+05 
1.26 -3.088943529e+05 
1.28 -2.480648014e+05 
1.30 -1.996029525e+05 
1.32 -1.609060801e+05 
1.34 -1.299385831e+05 
1.36 -1.051019012e+05 
1.38 -8.513875113e+04 
1.40 -6.905905936e+04 
1.42 -5.608126398e+04 
1.44 -4.558709391e+04 
1.46 -3.708679584e+04 
1.48 -3.019177464e+04 
1.50 -2.459243467e+04 
1.52 -2.004054657e+04 
1.54 -1.633661207e+04 
1.56 -1.332006952e+04 
1.58 -1.086156789e+04 
1.60 -8.856761331e+03 
1.62 -7.221151162e+03 
1.64 -5.886132709e+03 
1.66 -4.795994292e+03 
1.68 -3.905484370e+03 
1.70 -3.177836661e+03 
1.72 -2.583170415e+03 
1.74 -2.097182913e+03 
1.76 -1.700064949e+03 
1.78 -1.375645849e+03 
1.80 -1.110721362e+03 
1.82 -8.945041277e+02 
1.84 -7.181770527e+02 
1.86 -5.745318174e+02 
1.88 -4.576732299e+02 
1.90 -3.627763084e+02 
1.92 -2.858883891e+02 
1.94 -2.237625269e+02 
1.96 -1.737230751e+02 
1.98 -1.335653494e+02 
2.00 -1.014739974e+02 
2.02 -7.595522692e+01 
2.04 -5.578156817e+01 
2.06 -3.994439495e+01 
2.08 -2.761517223e+01 
2.10 -1.811548970e+01 
2.12 -1.089081439e+01 
2.14 -5.488058947e+00 
2.16 -1.536968434e+00 
2.18  1.264758590e+00 
2.20  3.163592099e+00 
2.22  4.360099802e+00 
2.24  5.017177134e+00 
2.26  5.266628536e+00 
2.28  5.214464010e+00 
2.30  4.945350273e+00 
2.32  4.526229653e+00 
2.34  4.009354682e+00 
2.36  3.435226887e+00 
2.38  2.834847485e+00 
2.40  2.231418580e+00 
2.42  1.641720409e+00 
2.44  1.077383470e+00 
2.46  5.459849581e-01 
2.48  5.188346433e-02 
2.50 -4.029536629e-01 
2.52 -8.183292896e-01 
2.54 -1.195348316e+00 
2.56 -1.536028776e+00 
2.58 -1.842984783e+00 
2.60 -2.119174059e+00 
2.62 -2.367695717e+00 
2.64 -2.591625965e+00 
2.66 -2.793888661e+00 
2.68 -2.977163135e+00 
2.70 -3.143828506e+00 
2.72 -3.294869252e+00 
2.74 -3.431211443e+00 
2.76 -3.554692710e+00 
2.78 -3.666775207e+00 
2.80 -3.768349240e+00 
2.82 -3.859874236e+00 
2.84 -3.941612076e+00 
2.86 -4.013783203e+00 
2.88 -4.076948905e+00 
2.90 -4.131622456e+00 
2.92 -4.178212203e+00 
2.94 -4.217234572e+00 
2.96 -4.249283677e+00 
2.98 -4.274959689e+00 
3.00 -4.294770144e+00 
3.02 -4.309083359e+00 
3.04 -4.318164725e+00 
3.06 -4.322228554e+00 
3.08 -4.321493591e+00 
3.10 -4.316243447e+00 
3.12 -4.306878595e+00 
3.14 -4.293852988e+00 
3.16 -4.277603718e+00 
3.18 -4.258551043e+00 
3.20 -4.237095428e+00 
3.22 -4.213614758e+00 
3.24 -4.188462163e+00 
3.26 -4.161964422e+00 
3.28 -4.134420358e+00 
3.30 -4.106098454e+00 
3.32 -4.077236128e+00 
3.34 -4.048039886e+00 
3.36 -4.018685430e+00 
3.38 -3.989319608e+00 
3.40 -3.960063790e+00 
3.42 -3.931017710e+00 
3.44 -3.902262054e+00 
3.46 -3.873863212e+00 
3.48 -3.845880076e+00 
3.50 -3.818358219e+00 
3.52 -3.791312275e+00 
3.54 -3.764723576e+00 
3.56 -3.738541665e+00 
3.58 -3.712686635e+00 
3.60 -3.687052442e+00 
3.62 -3.661511324e+00 
3.64 -3.635919456e+00 
3.66 -3.610124012e+00 
3.68 -3.583971785e+00 
3.70 -3.557319522e+00 
3.72 -3.530044909e+00 
3.74 -3.502045944e+00 
3.76 -3.473237846e+00 
3.78 -3.443559645e+00 
3.80 -3.412961533e+00 
3.82 -3.381387959e+00 
3.84 -3.348779350e+00 
3.86 -3.315076657e+00 
3.88 -3.280226920e+00 
3.90 -3.244189937e+00 
3.92 -3.206944988e+00 
3.94 -3.168489868e+00 
3.96 -3.128838577e+00 
3.98 -3.088023284e+00 
4.00 -3.046096899e+00 
4.02 -3.003137198e+00 
4.04 -2.959239555e+00 
4.06 -2.914504814e+00 
4.08 -2.869037567e+00 
4.10 -2.822945549e+00 
4.12 -2.776339007e+00 
4.14 -2.729330053e+00 
4.16 -2.682031997e+00 
4.18 -2.634558657e+00 
4.20 -2.587023670e+00 
4.22 -2.539539776e+00 
4.24 -2.492218115e+00 
4.26 -2.445167505e+00 
4.28 -2.398493733e+00 
4.30 -2.352298851e+00 
4.32 -2.306680481e+00 
4.34 -2.261731139e+00 
4.36 -2.217537580e+00 
4.38 -2.174180171e+00 
4.40 -2.131732300e+00 
4.42 -2.090259821e+00 
4.44 -2.049820550e+00 
4.46 -2.010463809e+00 
4.48 -1.972230033e+00 
4.50 -1.935150448e+00 
4.52 -1.899246817e+00 
4.54 -1.864531274e+00 
4.56 -1.831006251e+00 
4.58 -1.798664498e+00 
4.60 -1.767489218e+00 
4.62 -1.737454315e+00 
4.64 -1.708524775e+00 
4.66 -1.680657172e+00 
4.68 -1.653800334e+00 
4.70 -1.627896161e+00 
4.72 -1.602880592e+00 
4.74 -1.578684792e+00 
4.76 -1.555236463e+00 
4.78 -1.532461443e+00 
4.80 -1.510285408e+00 
4.82 -1.488635897e+00 
4.84 -1.467444523e+00 
4.86 -1.446649423e+00 
4.88 -1.426197987e+00 
4.90 -1.406049869e+00 
4.92 -1.386179248e+00 
4.94 -1.366568180e+00 
4.96 -1.347199077e+00 
4.98 -1.328054143e+00 
5.00 -1.309115446e+00 
5.02 -1.290365010e+00 
5.04 -1.271784862e+00 
5.06 -1.253356992e+00 
5.08 -1.235063453e+00 
5.10 -1.216886722e+00 
5.12 -1.198809224e+00 
5.14 -1.180813388e+00 
5.16 -1.162882808e+00 
5.18 -1.144999951e+00 
5.20 -1.127149459e+00 
5.22 -1.109314126e+00 
5.24 -1.091480007e+00 
5.26 -1.073629646e+00 
5.28 -1.055751445e+00 
5.30 -1.037827830e+00 
5.32 -1.019846678e+00 
5.34 -1.001798032e+00 
5.36 -9.836615033e-01 
5.38 -9.654310857e-01 
5.40 -9.471029014e-01 
5.42 -9.286449502e-01 
5.44 -9.100576017e-01 
5.46 -8.913495325e-01 
5.48 -8.725010631e-01 
5.50 -8.532692303e-01 
5.52 -8.338258954e-01 
5.54 -8.143849312e-01 
5.56 -7.950978138e-01 
5.58 -7.760809546e-01 
5.60 -7.575861028e-01 
5.62 -7.392528322e-01 
5.64 -7.205622738e-01 
5.66 -7.011103138e-01 
5.68 -6.806031361e-01 
5.70 -6.591498583e-01 
5.72 -6.369017067e-01 
5.74 -6.140302807e-01 
5.76 -5.907314985e-01 
5.78 -5.669570793e-01 
5.80 -5.426916700e-01 
5.82 -5.179966474e-01 
5.84 -4.929852296e-01 
5.86 -4.678025357e-01 
5.88 -4.425761792e-01 
5.90 -4.176081426e-01 
5.92 -3.932578200e-01 
5.94 -3.697629915e-01 
5.96 -3.472693168e-01 
5.98 -3.258544731e-01 
6.00 -3.055471589e-01