# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2013--Bonny-G-Castin-N-Bullens-J-et-al--Fe-Cr-W
# implementation = 2013--Bonny-G--Fe-Cr-W--LAMMPS--ipr2
# composition = CrFe2
# 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  1.038188139e+03 
0.86  9.481831967e+02 
0.88  8.673375037e+02 
0.90  7.943260115e+02 
0.92  7.283893825e+02 
0.94  6.688939456e+02 
0.96  6.152355109e+02 
0.98  5.668280698e+02 
1.00  5.231121842e+02 
1.02  4.835284487e+02 
1.04  4.475933044e+02 
1.06  4.149123050e+02 
1.08  3.851062940e+02 
1.10  3.577806496e+02 
1.12  3.325377746e+02 
1.14  3.090070218e+02 
1.16  2.870036988e+02 
1.18  2.664185895e+02 
1.20  2.471572631e+02 
1.22  2.291417965e+02 
1.24  2.122911950e+02 
1.26  1.964803505e+02 
1.28  1.816394184e+02 
1.30  1.677111946e+02 
1.32  1.546545829e+02 
1.34  1.424313990e+02 
1.36  1.310003382e+02 
1.38  1.203147577e+02 
1.40  1.103254421e+02 
1.42  1.009856536e+02 
1.44  9.225769453e+01 
1.46  8.410959956e+01 
1.48  7.650784505e+01 
1.50  6.942317933e+01 
1.52  6.282991242e+01 
1.54  5.670305110e+01 
1.56  5.101629777e+01 
1.58  4.574205447e+01 
1.60  4.085413798e+01 
1.62  3.633121069e+01 
1.64  3.215196191e+01 
1.66  2.828549779e+01 
1.68  2.471720777e+01 
1.70  2.143382845e+01 
1.72  1.842235145e+01 
1.74  1.566901530e+01 
1.76  1.316533437e+01 
1.78  1.090874760e+01 
1.80  8.887665666e+00 
1.82  7.090693363e+00 
1.84  5.506688391e+00 
1.86  4.124032153e+00 
1.88  2.929360264e+00 
1.90  1.908797731e+00 
1.92  1.048387972e+00 
1.94  3.322174277e-01 
1.96 -2.565848847e-01 
1.98 -7.346786479e-01 
2.00 -1.118492893e+00 
2.02 -1.423593703e+00 
2.04 -1.664195231e+00 
2.06 -1.852862342e+00 
2.08 -2.001424261e+00 
2.10 -2.120875976e+00 
2.12 -2.221643015e+00 
2.14 -2.313851042e+00 
2.16 -2.407198146e+00 
2.18 -2.505226070e+00 
2.20 -2.605681832e+00 
2.22 -2.706292230e+00 
2.24 -2.805175883e+00 
2.26 -2.900512446e+00 
2.28 -2.990116687e+00 
2.30 -3.071821753e+00 
2.32 -3.143863066e+00 
2.34 -3.204651410e+00 
2.36 -3.253626787e+00 
2.38 -3.291484221e+00 
2.40 -3.319084682e+00 
2.42 -3.337261878e+00 
2.44 -3.346803571e+00 
2.46 -3.348399979e+00 
2.48 -3.342686294e+00 
2.50 -3.330281485e+00 
2.52 -3.311787599e+00 
2.54 -3.287795622e+00 
2.56 -3.258890113e+00 
2.58 -3.225636876e+00 
2.60 -3.188490479e+00 
2.62 -3.147674543e+00 
2.64 -3.103527763e+00 
2.66 -3.056422633e+00 
2.68 -3.006731490e+00 
2.70 -2.954823888e+00 
2.72 -2.901060417e+00 
2.74 -2.845799210e+00 
2.76 -2.789396100e+00 
2.78 -2.732204280e+00 
2.80 -2.674573159e+00 
2.82 -2.616846777e+00 
2.84 -2.559365935e+00 
2.86 -2.502468502e+00 
2.88 -2.446402006e+00 
2.90 -2.391163737e+00 
2.92 -2.336727788e+00 
2.94 -2.283071046e+00 
2.96 -2.230168523e+00 
2.98 -2.177993093e+00 
3.00 -2.126511051e+00 
3.02 -2.075684035e+00 
3.04 -2.025472344e+00 
3.06 -1.975835108e+00 
3.08 -1.926730398e+00 
3.10 -1.878115318e+00 
3.12 -1.829946090e+00 
3.14 -1.782178116e+00 
3.16 -1.734766037e+00 
3.18 -1.687663757e+00 
3.20 -1.640824455e+00 
3.22 -1.594212918e+00 
3.24 -1.547886154e+00 
3.26 -1.501902465e+00 
3.28 -1.456269619e+00 
3.30 -1.411006192e+00 
3.32 -1.366155043e+00 
3.34 -1.321779429e+00 
3.36 -1.277957889e+00 
3.38 -1.234756278e+00 
3.40 -1.192213901e+00 
3.42 -1.150308821e+00 
3.44 -1.108960444e+00 
3.46 -1.068100615e+00 
3.48 -1.027592621e+00 
3.50 -9.872871834e-01 
3.52 -9.470803178e-01 
3.54 -9.069366892e-01 
3.56 -8.668726560e-01 
3.58 -8.269070224e-01 
3.60 -7.869836224e-01 
3.62 -7.470721759e-01 
3.64 -7.071860031e-01 
3.66 -6.673844346e-01 
3.68 -6.278104640e-01 
3.70 -5.886383957e-01 
3.72 -5.500469579e-01 
3.74 -5.122041544e-01 
3.76 -4.752937891e-01 
3.78 -4.393430710e-01 
3.80 -4.043256017e-01 
3.82 -3.698912254e-01 
3.84 -3.369187032e-01 
3.86 -3.064400429e-01 
3.88 -2.778751340e-01 
3.90 -2.487017667e-01 
3.92 -2.177780754e-01 
3.94 -1.850934758e-01 
3.96 -1.527693174e-01 
3.98 -1.229771360e-01 
4.00 -9.686157186e-02 
4.02 -7.486546864e-02 
4.04 -5.699382729e-02 
4.06 -4.307815911e-02 
4.08 -3.280986826e-02 
4.10 -2.585447763e-02 
4.12 -2.177545570e-02 
4.14 -1.883283282e-02 
4.16 -1.647466554e-02 
4.18 -1.456252827e-02 
4.20 -1.295895776e-02 
4.22 -1.154786214e-02 
4.24 -1.029735281e-02 
4.26 -9.196586986e-03 
4.28 -8.234727154e-03 
4.30 -7.400941092e-03 
4.32 -6.684401868e-03 
4.34 -6.074287785e-03 
4.36 -5.559782273e-03 
4.38 -5.130073855e-03 
4.40 -4.774356157e-03 
4.42 -4.481827437e-03 
4.44 -4.241691221e-03 
4.46 -4.043155394e-03 
4.48 -3.875432586e-03 
4.50 -3.727740103e-03 
4.52 -3.590897593e-03 
4.54 -3.462120402e-03 
4.56 -3.340226076e-03 
4.58 -3.224036219e-03 
4.60 -3.112398193e-03 
4.62 -3.004663682e-03 
4.64 -2.900686312e-03 
4.66 -2.800339571e-03 
4.68 -2.703503924e-03 
4.70 -2.610067294e-03 
4.72 -2.519907657e-03 
4.74 -2.432929873e-03 
4.76 -2.349010349e-03 
4.78 -2.268058560e-03 
4.80 -2.189982604e-03 
4.82 -2.114644234e-03 
4.84 -2.042015970e-03 
4.86 -1.971967760e-03 
4.88 -1.904330541e-03 
4.90 -1.839150821e-03 
4.92 -1.776464867e-03 
4.94 -1.714865148e-03 
4.96 -1.654601576e-03 
4.98 -1.597090719e-03 
5.00 -1.543219537e-03 
5.02 -1.493489236e-03 
5.04 -1.448740589e-03 
5.06 -1.408682620e-03 
5.08 -1.370259821e-03 
5.10 -1.331421460e-03 
5.12 -1.277373360e-03 
5.14 -1.188678317e-03 
5.16 -1.054941797e-03 
5.18 -8.729794805e-04 
5.20 -6.699143031e-04 
5.22 -4.792971942e-04 
5.24 -3.262005152e-04 
5.26 -2.210921702e-04 
5.28 -1.628524827e-04 
5.30 -1.451401001e-04 
5.32 -1.451153667e-04 
5.34 -1.451153667e-04 
5.36 -1.451153667e-04 
5.38 -1.451153667e-04 
5.40 -1.451153667e-04 
5.42 -1.451153667e-04 
5.44 -1.451153667e-04 
5.46 -1.451153667e-04 
5.48 -1.451153667e-04 
5.50 -1.451153667e-04 
5.52 -1.451153667e-04 
5.54 -1.451153667e-04 
5.56 -1.451153667e-04 
5.58 -1.451153667e-04 
5.60 -1.451153667e-04 
5.62 -1.451153667e-04 
5.64 -1.451153667e-04 
5.66 -1.451153667e-04 
5.68 -1.451153667e-04 
5.70 -1.451153667e-04 
5.72 -1.451153667e-04 
5.74 -1.451153667e-04 
5.76 -1.451153667e-04 
5.78 -1.451153667e-04 
5.80 -1.451153667e-04 
5.82 -1.451153667e-04 
5.84 -1.451153667e-04 
5.86 -1.451153667e-04 
5.88 -1.451153667e-04 
5.90 -1.451153667e-04 
5.92 -1.451153667e-04 
5.94 -1.451153667e-04 
5.96 -1.451153667e-04 
5.98 -1.451153667e-04 
6.00 -1.451153667e-04