# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Starikov-S-Smirnova-D-Pradhan-T-et-al--Fe-Cr-H
# implementation = 2022--Starikov-S--Fe-Cr-H--LAMMPS--ipr1
# composition = CrH2
# 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  2.256014280e+02 
0.98  2.238582310e+02 
1.00  2.222032921e+02 
1.02  2.206175083e+02 
1.04  2.191225307e+02 
1.06  2.176913154e+02 
1.08  2.163262045e+02 
1.10  2.150727779e+02 
1.12  2.138984768e+02 
1.14  2.127889747e+02 
1.16  2.117558072e+02 
1.18  2.108105752e+02 
1.20  2.099466828e+02 
1.22  2.091526647e+02 
1.24  1.554436845e+02 
1.26  1.140407499e+02 
1.28  8.351777025e+01 
1.30  5.999978254e+01 
1.32  4.162892620e+01 
1.34  2.743606790e+01 
1.36  1.691447423e+01 
1.38  9.775556491e+00 
1.40  5.136584614e+00 
1.42  2.077355238e+00 
1.44  9.881072706e-02 
1.46 -1.004943859e+00 
1.48 -1.569296086e+00 
1.50 -1.877511064e+00 
1.52 -2.094426015e+00 
1.54 -2.258053739e+00 
1.56 -2.492709670e+00 
1.58 -2.713478621e+00 
1.60 -2.903129970e+00 
1.62 -3.059683516e+00 
1.64 -3.193307126e+00 
1.66 -3.313688860e+00 
1.68 -3.419028539e+00 
1.70 -3.501585690e+00 
1.72 -3.563921729e+00 
1.74 -3.612780008e+00 
1.76 -3.646664207e+00 
1.78 -3.658259696e+00 
1.80 -3.648065648e+00 
1.82 -3.624297290e+00 
1.84 -3.591698657e+00 
1.86 -3.554126383e+00 
1.88 -3.514478086e+00 
1.90 -3.472179972e+00 
1.92 -3.429168782e+00 
1.94 -3.387292985e+00 
1.96 -3.347345401e+00 
1.98 -3.310573230e+00 
2.00 -3.268137768e+00 
2.02 -3.195981450e+00 
2.04 -3.075213234e+00 
2.06 -2.930457090e+00 
2.08 -2.809601513e+00 
2.10 -2.696923696e+00 
2.12 -2.592186386e+00 
2.14 -2.494737444e+00 
2.16 -2.403433523e+00 
2.18 -2.317520139e+00 
2.20 -2.235977735e+00 
2.22 -2.164164512e+00 
2.24 -2.103434478e+00 
2.26 -2.052591546e+00 
2.28 -2.010641881e+00 
2.30 -1.976086240e+00 
2.32 -1.946286083e+00 
2.34 -1.918990715e+00 
2.36 -1.893509216e+00 
2.38 -1.870777104e+00 
2.40 -1.851794058e+00 
2.42 -1.836199554e+00 
2.44 -1.821179860e+00 
2.46 -1.805056570e+00 
2.48 -1.785801516e+00 
2.50 -1.761584167e+00 
2.52 -1.732401050e+00 
2.54 -1.697953722e+00 
2.56 -1.657561871e+00 
2.58 -1.609962801e+00 
2.60 -1.553596387e+00 
2.62 -1.489045788e+00 
2.64 -1.418348366e+00 
2.66 -1.344293841e+00 
2.68 -1.270311264e+00 
2.70 -1.195663127e+00 
2.72 -1.130192098e+00 
2.74 -1.078378012e+00 
2.76 -1.043412811e+00 
2.78 -1.025986869e+00 
2.80 -1.024676494e+00 
2.82 -1.037275109e+00 
2.84 -1.060987599e+00 
2.86 -1.092862815e+00 
2.88 -1.129243711e+00 
2.90 -1.166246015e+00 
2.92 -1.200039839e+00 
2.94 -1.227994421e+00 
2.96 -1.248644588e+00 
2.98 -1.261415837e+00 
3.00 -1.266112051e+00 
3.02 -1.262551135e+00 
3.04 -1.250565139e+00 
3.06 -1.230736692e+00 
3.08 -1.204434814e+00 
3.10 -1.172744365e+00 
3.12 -1.136297293e+00 
3.14 -1.095341751e+00 
3.16 -1.051194425e+00 
3.18 -1.005374856e+00 
3.20 -9.595505911e-01 
3.22 -9.154936353e-01 
3.24 -8.747497691e-01 
3.26 -8.375865178e-01 
3.28 -8.032763820e-01 
3.30 -7.716903634e-01 
3.32 -7.426406704e-01 
3.34 -7.159326927e-01 
3.36 -6.913818665e-01 
3.38 -6.688153949e-01 
3.40 -6.480575028e-01 
3.42 -6.286652078e-01 
3.44 -6.102814810e-01 
3.46 -5.929448253e-01 
3.48 -5.767283412e-01 
3.50 -5.617475766e-01 
3.52 -5.481879299e-01 
3.54 -5.362682730e-01 
3.56 -5.262252557e-01 
3.58 -5.183106063e-01 
3.60 -5.128029727e-01 
3.62 -5.099279687e-01 
3.64 -5.095723097e-01 
3.66 -5.115820804e-01 
3.68 -5.158295573e-01 
3.70 -5.221925201e-01 
3.72 -5.305062316e-01 
3.74 -5.404786673e-01 
3.76 -5.517708287e-01 
3.78 -5.640748069e-01 
3.80 -5.771621498e-01 
3.82 -5.909612574e-01 
3.84 -6.049867377e-01 
3.86 -6.190354222e-01 
3.88 -6.329045886e-01 
3.90 -6.463920262e-01 
3.92 -6.592960621e-01 
3.94 -6.714224765e-01 
3.96 -6.825955958e-01 
3.98 -6.926447860e-01 
4.00 -7.014147030e-01 
4.02 -7.087593803e-01 
4.04 -7.146294085e-01 
4.06 -7.191469946e-01 
4.08 -7.224514843e-01 
4.10 -7.246820773e-01 
4.12 -7.259777183e-01 
4.14 -7.264772434e-01 
4.16 -7.263192165e-01 
4.18 -7.256356217e-01 
4.20 -7.245370881e-01 
4.22 -7.231298358e-01 
4.24 -7.215199245e-01 
4.26 -7.198124871e-01 
4.28 -7.181054576e-01 
4.30 -7.164932093e-01 
4.32 -7.150582517e-01 
4.34 -7.138632990e-01 
4.36 -7.129086043e-01 
4.38 -7.121624965e-01 
4.40 -7.115933851e-01 
4.42 -7.111749157e-01 
4.44 -7.109023343e-01 
4.46 -7.107762921e-01 
4.48 -7.107976678e-01 
4.50 -7.109673537e-01 
4.52 -7.112862694e-01 
4.54 -7.117557372e-01 
4.56 -7.123781173e-01 
4.58 -7.131676081e-01 
4.60 -7.141902401e-01 
4.62 -7.155272714e-01 
4.64 -7.172600966e-01 
4.66 -7.194434974e-01 
4.68 -7.220412603e-01 
4.70 -7.249957315e-01 
4.72 -7.282492655e-01 
4.74 -7.317441253e-01 
4.76 -7.354226496e-01 
4.78 -7.392271016e-01 
4.80 -7.430997176e-01 
4.82 -7.469808620e-01 
4.84 -7.507985603e-01 
4.86 -7.544238484e-01 
4.88 -7.576664109e-01 
4.90 -7.603342964e-01 
4.92 -7.622465845e-01 
4.94 -7.632269327e-01 
4.96 -7.631047399e-01 
4.98 -7.618278165e-01 
5.00 -7.594502947e-01 
5.02 -7.560297507e-01 
5.04 -7.516237676e-01 
5.06 -7.462898902e-01 
5.08 -7.400855925e-01 
5.10 -7.330720181e-01 
5.12 -7.253469238e-01 
5.14 -7.171050482e-01 
5.16 -7.085529251e-01 
5.18 -6.998892203e-01 
5.20 -6.913125439e-01 
5.22 -6.830214444e-01 
5.24 -6.752144411e-01 
5.26 -6.680900279e-01 
5.28 -6.618145918e-01 
5.30 -6.564156836e-01 
5.32 -6.518878155e-01 
5.34 -6.482258434e-01 
5.36 -6.454247398e-01 
5.38 -6.434508310e-01 
5.40 -6.419592273e-01 
5.42 -6.408022392e-01 
5.44 -6.399024352e-01 
5.46 -6.391824969e-01 
5.48 -6.385651953e-01 
5.50 -6.379733888e-01 
5.52 -6.373299749e-01 
5.54 -6.365576466e-01 
5.56 -6.355794340e-01 
5.58 -6.343196011e-01 
5.60 -6.327526481e-01 
5.62 -6.309029399e-01 
5.64 -6.287931409e-01 
5.66 -6.264487724e-01 
5.68 -6.239052038e-01 
5.70 -6.212001859e-01 
5.72 -6.183713540e-01 
5.74 -6.154564302e-01 
5.76 -6.124932261e-01 
5.78 -6.095196577e-01 
5.80 -6.065737382e-01 
5.82 -6.036935567e-01 
5.84 -6.009172254e-01 
5.86 -5.982828767e-01 
5.88 -5.958285981e-01 
5.90 -5.935854076e-01 
5.92 -5.915518933e-01 
5.94 -5.897276487e-01 
5.96 -5.881028654e-01 
5.98 -5.866658064e-01 
6.00 -5.854048052e-01