# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti
# implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1
# 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 2024-03-01

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 -7.049787631e+02 
0.92 -6.541339109e+02 
0.94 -6.093366783e+02 
0.96 -5.699241231e+02 
0.98 -5.336650389e+02 
1.00 -4.989996314e+02 
1.02 -4.660097142e+02 
1.04 -4.355982121e+02 
1.06 -4.078721029e+02 
1.08 -3.822188219e+02 
1.10 -3.582977349e+02 
1.12 -3.362838564e+02 
1.14 -3.163706766e+02 
1.16 -2.983894092e+02 
1.18 -2.816535051e+02 
1.20 -2.653145901e+02 
1.22 -2.490926779e+02 
1.24 -2.333854816e+02 
1.26 -2.187272357e+02 
1.28 -2.053706902e+02 
1.30 -1.931788395e+02 
1.32 -1.819116688e+02 
1.34 -1.713306981e+02 
1.36 -1.611176669e+02 
1.38 -1.509868400e+02 
1.40 -1.408663118e+02 
1.42 -1.308780524e+02 
1.44 -1.211624601e+02 
1.46 -1.117428345e+02 
1.48 -1.025609993e+02 
1.50 -9.360316238e+01 
1.52 -8.488480982e+01 
1.54 -7.644261329e+01 
1.56 -6.839293263e+01 
1.58 -6.093246081e+01 
1.60 -5.418670825e+01 
1.62 -4.809307112e+01 
1.64 -4.249465189e+01 
1.66 -3.728014659e+01 
1.68 -3.240134652e+01 
1.70 -2.780042470e+01 
1.72 -2.338378515e+01 
1.74 -1.905484852e+01 
1.76 -1.486480280e+01 
1.78 -1.108378210e+01 
1.80 -7.830394836e+00 
1.82 -5.364295113e+00 
1.84 -3.562980532e+00 
1.86 -2.294550979e+00 
1.88 -1.458368941e+00 
1.90 -9.667344536e-01 
1.92 -7.324978480e-01 
1.94 -6.727935702e-01 
1.96 -7.174349952e-01 
1.98 -8.154156296e-01 
2.00 -9.483857898e-01 
2.02 -1.135275221e+00 
2.04 -1.384849664e+00 
2.06 -1.670167370e+00 
2.08 -1.959155111e+00 
2.10 -2.225433474e+00 
2.12 -2.454685881e+00 
2.14 -2.650446526e+00 
2.16 -2.819311146e+00 
2.18 -2.965258263e+00 
2.20 -3.089939753e+00 
2.22 -3.194382307e+00 
2.24 -3.280699584e+00 
2.26 -3.350709318e+00 
2.28 -3.406007666e+00 
2.30 -3.448006192e+00 
2.32 -3.477815338e+00 
2.34 -3.496436803e+00 
2.36 -3.504820385e+00 
2.38 -3.503882833e+00 
2.40 -3.494674739e+00 
2.42 -3.478519812e+00 
2.44 -3.456815812e+00 
2.46 -3.430955868e+00 
2.48 -3.402304219e+00 
2.50 -3.372216162e+00 
2.52 -3.341686147e+00 
2.54 -3.311351769e+00 
2.56 -3.281912524e+00 
2.58 -3.254084992e+00 
2.60 -3.228567132e+00 
2.62 -3.205962475e+00 
2.64 -3.186638880e+00 
2.66 -3.170635480e+00 
2.68 -3.157508609e+00 
2.70 -3.146419158e+00 
2.72 -3.136360050e+00 
2.74 -3.125395001e+00 
2.76 -3.110817520e+00 
2.78 -3.091008734e+00 
2.80 -3.064716039e+00 
2.82 -3.030663505e+00 
2.84 -2.987174503e+00 
2.86 -2.931960542e+00 
2.88 -2.862092987e+00 
2.90 -2.774155485e+00 
2.92 -2.664503093e+00 
2.94 -2.529595637e+00 
2.96 -2.366028895e+00 
2.98 -2.170449981e+00 
3.00 -1.939506472e+00 
3.02 -1.669789690e+00 
3.04 -1.358026166e+00 
3.06 -1.006453738e+00 
3.08 -7.666763630e-01 
3.10 -7.299538531e-01 
3.12 -6.945436823e-01 
3.14 -6.605816261e-01 
3.16 -6.281697369e-01 
3.18 -5.973572029e-01 
3.20 -5.681242501e-01 
3.22 -5.403345380e-01 
3.24 -5.137290230e-01 
3.26 -4.879406162e-01 
3.28 -4.625180950e-01 
3.30 -4.369801843e-01 
3.32 -4.108968537e-01 
3.34 -3.839797174e-01 
3.36 -3.561578983e-01 
3.38 -3.275998242e-01 
3.40 -2.986502048e-01 
3.42 -2.697099198e-01 
3.44 -2.411990776e-01 
3.46 -2.134931296e-01 
3.48 -1.868776328e-01 
3.50 -1.615329647e-01 
3.52 -1.375416752e-01 
3.54 -1.149094570e-01 
3.56 -9.359205041e-02 
3.58 -7.355053501e-02 
3.60 -5.478919305e-02 
3.62 -3.731571176e-02 
3.64 -2.113073064e-02 
3.66 -6.207148452e-03 
3.68  7.490336690e-03 
3.70  1.999732269e-02 
3.72  3.134958038e-02 
3.74  4.158288648e-02 
3.76  5.073288648e-02 
3.78  5.883491528e-02 
3.80  6.592396878e-02 
3.82  7.203455590e-02 
3.84  7.720057854e-02 
3.86  8.145683483e-02 
3.88  8.485015232e-02 
3.90  8.743317984e-02 
3.92  8.925763690e-02 
3.94  9.037887468e-02 
3.96  9.085960620e-02 
3.98  9.076251023e-02 
4.00  9.014939357e-02 
4.02  8.908129142e-02 
4.04  8.761843672e-02 
4.06  8.582036565e-02 
4.08  8.374594621e-02 
4.10  8.145336310e-02 
4.12  7.899994369e-02 
4.14  7.642360927e-02 
4.16  7.373151853e-02 
4.18  7.092752625e-02 
4.20  6.801354845e-02 
4.22  6.498284079e-02 
4.24  6.182553101e-02 
4.26  5.853142631e-02 
4.28  5.509004900e-02 
4.30  5.149089111e-02 
4.32  4.772342940e-02 
4.34  4.377744766e-02 
4.36  3.964336395e-02 
4.38  3.531258938e-02 
4.40  3.077822920e-02 
4.42  2.603576295e-02 
4.44  2.108396287e-02 
4.46  1.592624467e-02 
4.48  1.057196431e-02 
4.50  5.038089514e-03 
4.52 -6.482939406e-04 
4.54 -6.444039753e-03 
4.56 -1.229656840e-02 
4.58 -1.814207937e-02 
4.60 -2.390450036e-02 
4.62 -2.949754692e-02 
4.64 -3.482879881e-02 
4.66 -3.980558258e-02 
4.68 -4.434229341e-02 
4.70 -4.836846376e-02 
4.72 -5.183584856e-02 
4.74 -5.472353955e-02 
4.76 -5.703994941e-02 
4.78 -5.882568439e-02 
4.80 -6.014124236e-02 
4.82 -6.104350714e-02 
4.84 -6.159336362e-02 
4.86 -6.185115703e-02 
4.88 -6.187091522e-02 
4.90 -6.169629907e-02 
4.92 -6.135866491e-02 
4.94 -6.087669928e-02 
4.96 -6.025733129e-02 
4.98 -5.949743733e-02 
5.00 -5.858607863e-02 
5.02 -5.750694857e-02 
5.04 -5.624210016e-02 
5.06 -5.478516295e-02 
5.08 -5.313779442e-02 
5.10 -5.130294752e-02 
5.12 -4.928509021e-02 
5.14 -4.709059347e-02 
5.16 -4.472816273e-02 
5.18 -4.220935736e-02 
5.20 -3.954902681e-02 
5.22 -3.676602840e-02 
5.24 -3.388489464e-02 
5.26 -3.093477936e-02 
5.28 -2.794880714e-02 
5.30 -2.496370303e-02 
5.32 -2.201892763e-02 
5.34 -1.915546029e-02 
5.36 -1.641407517e-02 
5.38 -1.383346734e-02 
5.40 -1.144802610e-02 
5.42 -9.285849314e-03 
5.44 -7.367032378e-03 
5.46 -5.702549083e-03 
5.48 -4.293890559e-03 
5.50 -3.133514870e-03 
5.52 -2.205961174e-03 
5.54 -1.488977598e-03 
5.56 -9.548708542e-04 
5.58 -5.729408911e-04 
5.60 -3.132031132e-04 
5.62 -1.476683157e-04 
5.64 -5.116683133e-05 
5.66 -2.131649017e-06 
5.68  1.687703149e-05 
5.70  1.915200272e-05 
5.72  1.408269217e-05 
5.74  7.601321724e-06 
5.76  2.780170643e-06 
5.78  4.804527956e-07 
5.80 -1.938103448e-09 
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