# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2021--Deluigi-O-R-Pasianot-R-C-Valencia-F-J-et-al--Fe-Ni-Cr-Co-Cu
# implementation = 2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1
# composition = CrNi2
# 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 -1.251577639e+02 
0.92 -1.223797808e+02 
0.94 -1.187675262e+02 
0.96 -1.145283421e+02 
0.98 -1.099232998e+02 
1.00 -1.052070871e+02 
1.02 -1.005464841e+02 
1.04 -9.604688832e+01 
1.06 -9.181262084e+01 
1.08 -8.792945510e+01 
1.10 -8.435891575e+01 
1.12 -8.101676158e+01 
1.14 -7.789548593e+01 
1.16 -7.498968243e+01 
1.18 -7.229244763e+01 
1.20 -6.980975205e+01 
1.22 -6.754753106e+01 
1.24 -6.549724849e+01 
1.26 -6.360550592e+01 
1.28 -6.181398248e+01 
1.30 -6.004438328e+01 
1.32 -5.823655886e+01 
1.34 -5.633537959e+01 
1.36 -5.429222791e+01 
1.38 -5.209255051e+01 
1.40 -4.974808278e+01 
1.42 -4.725026300e+01 
1.44 -4.457382757e+01 
1.46 -4.169202038e+01 
1.48 -3.858889887e+01 
1.50 -3.526545810e+01 
1.52 -3.174573094e+01 
1.54 -2.806624274e+01 
1.56 -2.427611474e+01 
1.58 -2.042622134e+01 
1.60 -1.655866065e+01 
1.62 -1.270890121e+01 
1.64 -8.920406710e+00 
1.66 -5.686609015e+00 
1.68 -3.446936373e+00 
1.70 -1.960201969e+00 
1.72 -1.024804360e+00 
1.74 -4.820812303e-01 
1.76 -2.101496242e-01 
1.78 -1.133008290e-01 
1.80 -1.180397430e-01 
1.82 -1.718257606e-01 
1.84 -2.521193674e-01 
1.86 -3.566391438e-01 
1.88 -4.774426286e-01 
1.90 -6.252603271e-01 
1.92 -8.098623262e-01 
1.94 -1.022875420e+00 
1.96 -1.248363609e+00 
1.98 -1.475643192e+00 
2.00 -1.698895038e+00 
2.02 -1.914865126e+00 
2.04 -2.120809582e+00 
2.06 -2.315685078e+00 
2.08 -2.499961769e+00 
2.10 -2.674130153e+00 
2.12 -2.838494092e+00 
2.14 -2.992598745e+00 
2.16 -3.135077325e+00 
2.18 -3.263969145e+00 
2.20 -3.376115867e+00 
2.22 -3.469420942e+00 
2.24 -3.544448124e+00 
2.26 -3.602680931e+00 
2.28 -3.645737687e+00 
2.30 -3.675383955e+00 
2.32 -3.693675273e+00 
2.34 -3.702406423e+00 
2.36 -3.703059341e+00 
2.38 -3.696830685e+00 
2.40 -3.684512170e+00 
2.42 -3.666746494e+00 
2.44 -3.644234432e+00 
2.46 -3.617709314e+00 
2.48 -3.588001899e+00 
2.50 -3.555951615e+00 
2.52 -3.521769568e+00 
2.54 -3.485219539e+00 
2.56 -3.445961344e+00 
2.58 -3.403727721e+00 
2.60 -3.358561512e+00 
2.62 -3.310637784e+00 
2.64 -3.260203467e+00 
2.66 -3.207571315e+00 
2.68 -3.152815804e+00 
2.70 -3.095797268e+00 
2.72 -3.036403989e+00 
2.74 -2.974505416e+00 
2.76 -2.909978281e+00 
2.78 -2.842782235e+00 
2.80 -2.773048857e+00 
2.82 -2.700933844e+00 
2.84 -2.626527331e+00 
2.86 -2.549781003e+00 
2.88 -2.470475232e+00 
2.90 -2.388339429e+00 
2.92 -2.303392265e+00 
2.94 -2.215788278e+00 
2.96 -2.126071198e+00 
2.98 -2.034928875e+00 
3.00 -1.943152494e+00 
3.02 -1.851670190e+00 
3.04 -1.761400595e+00 
3.06 -1.673082284e+00 
3.08 -1.587182600e+00 
3.10 -1.503989638e+00 
3.12 -1.423724840e+00 
3.14 -1.346560752e+00 
3.16 -1.272629575e+00 
3.18 -1.202025969e+00 
3.20 -1.134735080e+00 
3.22 -1.070692252e+00 
3.24 -1.009852419e+00 
3.26 -9.521893235e-01 
3.28 -8.976920196e-01 
3.30 -8.463480247e-01 
3.32 -7.981137764e-01 
3.34 -7.528815437e-01 
3.36 -7.104717806e-01 
3.38 -6.706227529e-01 
3.40 -6.330414560e-01 
3.42 -5.975426968e-01 
3.44 -5.639537074e-01 
3.46 -5.321170081e-01 
3.48 -5.019107049e-01 
3.50 -4.732557465e-01 
3.52 -4.461139473e-01 
3.54 -4.204801510e-01 
3.56 -3.963708880e-01 
3.58 -3.737657534e-01 
3.60 -3.525658677e-01 
3.62 -3.326666574e-01 
3.64 -3.139689657e-01 
3.66 -2.963969724e-01 
3.68 -2.798849572e-01 
3.70 -2.643695832e-01 
3.72 -2.497898118e-01 
3.74 -2.360867787e-01 
3.76 -2.232038527e-01 
3.78 -2.110863488e-01 
3.80 -1.996816479e-01 
3.82 -1.889389239e-01 
3.84 -1.788091875e-01 
3.86 -1.692467948e-01 
3.88 -1.602218772e-01 
3.90 -1.517120443e-01 
3.92 -1.436950304e-01 
3.94 -1.361482558e-01 
3.96 -1.290490273e-01 
3.98 -1.223745283e-01 
4.00 -1.161019590e-01 
4.02 -1.102084711e-01 
4.04 -1.046711814e-01 
4.06 -9.946714762e-02 
4.08 -9.457342726e-02 
4.10 -8.996695636e-02 
4.12 -8.562454686e-02 
4.14 -8.151293564e-02 
4.16 -7.758285766e-02 
4.18 -7.378348556e-02 
4.20 -7.007133143e-02 
4.22 -6.639740240e-02 
4.24 -6.268664308e-02 
4.26 -5.888074931e-02 
4.28 -5.493795973e-02 
4.30 -5.083128758e-02 
4.32 -4.654649492e-02 
4.34 -4.208047149e-02 
4.36 -3.743960910e-02 
4.38 -3.263843727e-02 
4.40 -2.769836541e-02 
4.42 -2.264654737e-02 
4.44 -1.751506149e-02 
4.46 -1.234017466e-02 
4.48 -7.161745970e-03 
4.50 -2.023213133e-03 
4.52  3.028735643e-03 
4.54  7.944142709e-03 
4.56  1.267575983e-02 
4.58  1.717632099e-02 
4.60  2.139745157e-02 
4.62  2.529078493e-02 
4.64  2.880917615e-02 
4.66  3.190965630e-02 
4.68  3.455595325e-02 
4.70  3.672208232e-02 
4.72  3.839479351e-02 
4.74  3.957600070e-02 
4.76  4.028301617e-02 
4.78  4.055899480e-02 
4.80  4.046203935e-02 
4.82  4.003788086e-02 
4.84  3.933320962e-02 
4.86  3.839536357e-02 
4.88  3.726927977e-02 
4.90  3.599571877e-02 
4.92  3.460987308e-02 
4.94  3.314098271e-02 
4.96  3.161247103e-02 
4.98  3.004245539e-02 
5.00  2.844448070e-02 
5.02  2.682844387e-02 
5.04  2.520240419e-02 
5.06  2.358304857e-02 
5.08  2.199186838e-02 
5.10  2.044862150e-02 
5.12  1.897103849e-02 
5.14  1.757449369e-02 
5.16  1.627174240e-02 
5.18  1.507253473e-02 
5.20  1.398328159e-02 
5.22  1.300642308e-02 
5.24  1.213916699e-02 
5.26  1.137471125e-02 
5.28  1.070265547e-02 
5.30  1.010909750e-02 
5.32  9.576930416e-03 
5.34  9.086746316e-03 
5.36  8.617980342e-03 
5.38  8.150544840e-03 
5.40  7.666629821e-03 
5.42  7.152589429e-03 
5.44  6.600597778e-03 
5.46  6.009830061e-03 
5.48  5.387113162e-03 
5.50  4.746741640e-03 
5.52  4.109646385e-03 
5.54  3.495400165e-03 
5.56  2.912069578e-03 
5.58  2.367798621e-03 
5.60  1.871079896e-03 
5.62  1.429526472e-03 
5.64  1.048845778e-03 
5.66  7.321769140e-04 
5.68  4.798218285e-04 
5.70  2.891640270e-04 
5.72  1.548987420e-04 
5.74  6.928675368e-05 
5.76  2.262183035e-05 
5.78  3.640513580e-06 
5.80  1.420456004e-08 
5.82  0.000000000e+00 
5.84  0.000000000e+00 
5.86  0.000000000e+00 
5.88  0.000000000e+00 
5.90  0.000000000e+00 
5.92  0.000000000e+00 
5.94  0.000000000e+00 
5.96  0.000000000e+00 
5.98  0.000000000e+00 
6.00  0.000000000e+00