# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2017--Wu-C-Lee-B-J-Su-X--Ni-Cr-Fe
# implementation = 2017--Wu-C--Ni-Cr-Fe--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  5.801541809e+02 
0.80  5.399932522e+02 
0.82  5.024506772e+02 
0.84  4.673626044e+02 
0.86  4.345751107e+02 
0.88  4.039436162e+02 
0.90  3.753323318e+02 
0.92  3.486137396e+02 
0.94  3.236681023e+02 
0.96  3.003830021e+02 
0.98  2.786529056e+02 
1.00  2.583787538e+02 
1.02  2.394675766e+02 
1.04  2.218321293e+02 
1.06  2.053905501e+02 
1.08  1.900660380e+02 
1.10  1.757865492e+02 
1.12  1.624845111e+02 
1.14  1.500965538e+02 
1.16  1.385632562e+02 
1.18  1.278289081e+02 
1.20  1.178412855e+02 
1.22  1.085514396e+02 
1.24  9.991349792e+01 
1.26  9.188447736e+01 
1.28  8.442410826e+01 
1.30  7.749466884e+01 
1.32  7.106082951e+01 
1.34  6.508950634e+01 
1.36  5.954972337e+01 
1.38  5.441248297e+01 
1.40  4.965064409e+01 
1.42  4.523880766e+01 
1.44  4.115320890e+01 
1.46  3.737161611e+01 
1.48  3.387323547e+01 
1.50  3.063862160e+01 
1.52  2.764959356e+01 
1.54  2.488915582e+01 
1.56  2.234142406e+01 
1.58  1.999155548e+01 
1.60  1.782568330e+01 
1.62  1.583085527e+01 
1.64  1.399497590e+01 
1.66  1.230675221e+01 
1.68  1.075564285e+01 
1.70  9.331810226e+00 
1.72  8.026075713e+00 
1.74  6.829877469e+00 
1.76  5.735230953e+00 
1.78  4.734691822e+00 
1.80  3.821321160e+00 
1.82  2.988652828e+00 
1.84  2.230662867e+00 
1.86  1.541740790e+00 
1.88  9.166626695e-01 
1.90  3.505659099e-01 
1.92 -1.610744079e-01 
1.94 -6.224676882e-01 
1.96 -1.037528595e+00 
1.98 -1.409896526e+00 
2.00 -1.742953829e+00 
2.02 -2.039842768e+00 
2.04 -2.303481766e+00 
2.06 -2.536580176e+00 
2.08 -2.741652352e+00 
2.10 -2.921030766e+00 
2.12 -3.076878284e+00 
2.14 -3.211199653e+00 
2.16 -3.325852242e+00 
2.18 -3.422556095e+00 
2.20 -3.502903324e+00 
2.22 -3.568366895e+00 
2.24 -3.620308836e+00 
2.26 -3.659987916e+00 
2.28 -3.688566807e+00 
2.30 -3.707118783e+00 
2.32 -3.716633975e+00 
2.34 -3.718025206e+00 
2.36 -3.712133441e+00 
2.38 -3.699732873e+00 
2.40 -3.681535665e+00 
2.42 -3.658196378e+00 
2.44 -3.630316090e+00 
2.46 -3.598446245e+00 
2.48 -3.563092235e+00 
2.50 -3.524716733e+00 
2.52 -3.483740546e+00 
2.54 -3.440529242e+00 
2.56 -3.395408440e+00 
2.58 -3.348676733e+00 
2.60 -3.300607632e+00 
2.62 -3.251451284e+00 
2.64 -3.201436085e+00 
2.66 -3.150770175e+00 
2.68 -3.099642830e+00 
2.70 -3.048225757e+00 
2.72 -2.996674302e+00 
2.74 -2.945128564e+00 
2.76 -2.893714435e+00 
2.78 -2.842544570e+00 
2.80 -2.791719271e+00 
2.82 -2.741327328e+00 
2.84 -2.691446777e+00 
2.86 -2.642145621e+00 
2.88 -2.593482485e+00 
2.90 -2.545507232e+00 
2.92 -2.498261530e+00 
2.94 -2.451779385e+00 
2.96 -2.406087633e+00 
2.98 -2.361206408e+00 
3.00 -2.317149580e+00 
3.02 -2.273925171e+00 
3.04 -2.231535762e+00 
3.06 -2.189978883e+00 
3.08 -2.149247397e+00 
3.10 -2.109329890e+00 
3.12 -2.070211059e+00 
3.14 -2.031872118e+00 
3.16 -1.994291206e+00 
3.18 -1.957443824e+00 
3.20 -1.921303282e+00 
3.22 -1.885841172e+00 
3.24 -1.851027849e+00 
3.26 -1.816832938e+00 
3.28 -1.783225831e+00 
3.30 -1.750176204e+00 
3.32 -1.717654502e+00 
3.34 -1.685632417e+00 
3.36 -1.654083323e+00 
3.38 -1.622982550e+00 
3.40 -1.591519800e+00 
3.42 -1.549018551e+00 
3.44 -1.425074439e+00 
3.46 -1.092498826e+00 
3.48 -1.032620214e+00 
3.50 -1.002219969e+00 
3.52 -9.725922602e-01 
3.54 -9.437267150e-01 
3.56 -9.156122801e-01 
3.58 -8.882373103e-01 
3.60 -8.615896531e-01 
3.62 -8.356567245e-01 
3.64 -8.104255797e-01 
3.66 -7.858829775e-01 
3.68 -7.620154385e-01 
3.70 -7.388092994e-01 
3.72 -7.162507613e-01 
3.74 -6.943259344e-01 
3.76 -6.730208783e-01 
3.78 -6.523216386e-01 
3.80 -6.322142798e-01 
3.82 -6.126849151e-01 
3.84 -5.937197332e-01 
3.86 -5.753050224e-01 
3.88 -5.574271918e-01 
3.90 -5.400727905e-01 
3.92 -5.221249323e-01 
3.94 -4.897977886e-01 
3.96 -4.074324914e-01 
3.98 -2.259748907e-01 
4.00 -9.638507970e-23 
4.02  0.000000000e+00 
4.04  0.000000000e+00 
4.06  0.000000000e+00 
4.08  0.000000000e+00 
4.10  0.000000000e+00 
4.12  0.000000000e+00 
4.14  0.000000000e+00 
4.16  0.000000000e+00 
4.18  0.000000000e+00 
4.20  0.000000000e+00 
4.22  0.000000000e+00 
4.24  0.000000000e+00 
4.26  0.000000000e+00 
4.28  0.000000000e+00 
4.30  0.000000000e+00 
4.32  0.000000000e+00 
4.34  0.000000000e+00 
4.36  0.000000000e+00 
4.38  0.000000000e+00 
4.40  0.000000000e+00 
4.42  0.000000000e+00 
4.44  0.000000000e+00 
4.46  0.000000000e+00 
4.48  0.000000000e+00 
4.50  0.000000000e+00 
4.52  0.000000000e+00 
4.54  0.000000000e+00 
4.56  0.000000000e+00 
4.58  0.000000000e+00 
4.60  0.000000000e+00 
4.62  0.000000000e+00 
4.64  0.000000000e+00 
4.66  0.000000000e+00 
4.68  0.000000000e+00 
4.70  0.000000000e+00 
4.72  0.000000000e+00 
4.74  0.000000000e+00 
4.76  0.000000000e+00 
4.78  0.000000000e+00 
4.80  0.000000000e+00 
4.82  0.000000000e+00 
4.84  0.000000000e+00 
4.86  0.000000000e+00 
4.88  0.000000000e+00 
4.90  0.000000000e+00 
4.92  0.000000000e+00 
4.94  0.000000000e+00 
4.96  0.000000000e+00 
4.98  0.000000000e+00 
5.00  0.000000000e+00 
5.02  0.000000000e+00 
5.04  0.000000000e+00 
5.06  0.000000000e+00 
5.08  0.000000000e+00 
5.10  0.000000000e+00 
5.12  0.000000000e+00 
5.14  0.000000000e+00 
5.16  0.000000000e+00 
5.18  0.000000000e+00 
5.20  0.000000000e+00 
5.22  0.000000000e+00 
5.24  0.000000000e+00 
5.26  0.000000000e+00 
5.28  0.000000000e+00 
5.30  0.000000000e+00 
5.32  0.000000000e+00 
5.34  0.000000000e+00 
5.36  0.000000000e+00 
5.38  0.000000000e+00 
5.40  0.000000000e+00 
5.42  0.000000000e+00 
5.44  0.000000000e+00 
5.46  0.000000000e+00 
5.48  0.000000000e+00 
5.50  0.000000000e+00 
5.52  0.000000000e+00 
5.54  0.000000000e+00 
5.56  0.000000000e+00 
5.58  0.000000000e+00 
5.60  0.000000000e+00 
5.62  0.000000000e+00 
5.64  0.000000000e+00 
5.66  0.000000000e+00 
5.68  0.000000000e+00 
5.70  0.000000000e+00 
5.72  0.000000000e+00 
5.74  0.000000000e+00 
5.76  0.000000000e+00 
5.78  0.000000000e+00 
5.80  0.000000000e+00 
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