# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Tramontina-D-R-Deluigi-O-R-Pinzon-R-et-al--Fe-Cu-Ni
# implementation = 2023--Tramontina-D-R--Fe-Cu-Ni--LAMMPS--ipr1
# composition = Fe2Ni
# 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 2023-06-29

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  8.241944427e+02 
0.90  7.432687996e+02 
0.92  6.713379017e+02 
0.94  6.071364279e+02 
0.96  5.495573935e+02 
0.98  4.978455658e+02 
1.00  4.513582230e+02 
1.02  4.094771983e+02 
1.04  3.717425117e+02 
1.06  3.378294773e+02 
1.08  3.073799509e+02 
1.10  2.800011935e+02 
1.12  2.553240723e+02 
1.14  2.330107068e+02 
1.16  2.127392369e+02 
1.18  1.942975853e+02 
1.20  1.775735469e+02 
1.22  1.624601658e+02 
1.24  1.488167473e+02 
1.26  1.364389754e+02 
1.28  1.249302708e+02 
1.30  1.141002783e+02 
1.32  1.039353999e+02 
1.34  9.437947792e+01 
1.36  8.542311447e+01 
1.38  7.716962343e+01 
1.40  6.968635133e+01 
1.42  6.272488183e+01 
1.44  5.619709167e+01 
1.46  5.012452841e+01 
1.48  4.452808012e+01 
1.50  3.942944432e+01 
1.52  3.484178498e+01 
1.54  3.073972262e+01 
1.56  2.708721166e+01 
1.58  2.384320306e+01 
1.60  2.096202529e+01 
1.62  1.841151333e+01 
1.64  1.616061325e+01 
1.66  1.417940121e+01 
1.68  1.243892034e+01 
1.70  1.091031180e+01 
1.72  9.566154037e+00 
1.74  8.377002074e+00 
1.76  7.302032578e+00 
1.78  6.313808763e+00 
1.80  5.388607402e+00 
1.82  4.508168099e+00 
1.84  3.672284094e+00 
1.86  2.885326866e+00 
1.88  2.150101816e+00 
1.90  1.468383182e+00 
1.92  8.418152002e-01 
1.94  2.700185868e-01 
1.96 -2.483755002e-01 
1.98 -7.146734072e-01 
2.00 -1.130153073e+00 
2.02 -1.496752861e+00 
2.04 -1.818867786e+00 
2.06 -2.100138858e+00 
2.08 -2.343833436e+00 
2.10 -2.553010224e+00 
2.12 -2.731591712e+00 
2.14 -2.884273231e+00 
2.16 -3.015639596e+00 
2.18 -3.130159643e+00 
2.20 -3.232791378e+00 
2.22 -3.327803130e+00 
2.24 -3.415564128e+00 
2.26 -3.495061923e+00 
2.28 -3.564977580e+00 
2.30 -3.624084041e+00 
2.32 -3.671455920e+00 
2.34 -3.706200324e+00 
2.36 -3.727541152e+00 
2.38 -3.735911610e+00 
2.40 -3.732803499e+00 
2.42 -3.719746111e+00 
2.44 -3.698258397e+00 
2.46 -3.669779743e+00 
2.48 -3.635704148e+00 
2.50 -3.597414832e+00 
2.52 -3.555962164e+00 
2.54 -3.511272648e+00 
2.56 -3.463215867e+00 
2.58 -3.412411860e+00 
2.60 -3.358749970e+00 
2.62 -3.302011191e+00 
2.64 -3.242335921e+00 
2.66 -3.180081151e+00 
2.68 -3.115620514e+00 
2.70 -3.049334228e+00 
2.72 -2.981605411e+00 
2.74 -2.912819821e+00 
2.76 -2.843365676e+00 
2.78 -2.773633568e+00 
2.80 -2.704016089e+00 
2.82 -2.634907880e+00 
2.84 -2.566706046e+00 
2.86 -2.499810289e+00 
2.88 -2.434535354e+00 
2.90 -2.370940345e+00 
2.92 -2.309052175e+00 
2.94 -2.248872706e+00 
2.96 -2.190042804e+00 
2.98 -2.132435895e+00 
3.00 -2.076024217e+00 
3.02 -2.020764226e+00 
3.04 -1.966564431e+00 
3.06 -1.913314525e+00 
3.08 -1.861017321e+00 
3.10 -1.809825879e+00 
3.12 -1.759675634e+00 
3.14 -1.710493776e+00 
3.16 -1.662206272e+00 
3.18 -1.614737547e+00 
3.20 -1.568010559e+00 
3.22 -1.521958847e+00 
3.24 -1.476609646e+00 
3.26 -1.432033204e+00 
3.28 -1.388301432e+00 
3.30 -1.345485840e+00 
3.32 -1.303655494e+00 
3.34 -1.262876735e+00 
3.36 -1.223213011e+00 
3.38 -1.184724589e+00 
3.40 -1.147468481e+00 
3.42 -1.111498188e+00 
3.44 -1.076863288e+00 
3.46 -1.043609315e+00 
3.48 -1.011777584e+00 
3.50 -9.814048399e-01 
3.52 -9.525104612e-01 
3.54 -9.250583665e-01 
3.56 -8.989946326e-01 
3.58 -8.742598913e-01 
3.60 -8.507883557e-01 
3.62 -8.285093410e-01 
3.64 -8.073440908e-01 
3.66 -7.872131476e-01 
3.68 -7.680441848e-01 
3.70 -7.497660356e-01 
3.72 -7.323063990e-01 
3.74 -7.155917657e-01 
3.76 -6.995484987e-01 
3.78 -6.841049716e-01 
3.80 -6.691862442e-01 
3.82 -6.547022851e-01 
3.84 -6.406328294e-01 
3.86 -6.267992496e-01 
3.88 -6.131799935e-01 
3.90 -5.995963487e-01 
3.92 -5.860886017e-01 
3.94 -5.726666263e-01 
3.96 -5.593158195e-01 
3.98 -5.460008026e-01 
4.00 -5.326680256e-01 
4.02 -5.192588252e-01 
4.04 -5.057620371e-01 
4.06 -4.922037284e-01 
4.08 -4.785831191e-01 
4.10 -4.648873270e-01 
4.12 -4.511009719e-01 
4.14 -4.372075808e-01 
4.16 -4.231908719e-01 
4.18 -4.090352265e-01 
4.20 -3.947255651e-01 
4.22 -3.802541554e-01 
4.24 -3.656465833e-01 
4.26 -3.509353648e-01 
4.28 -3.361530252e-01 
4.30 -3.213330241e-01 
4.32 -3.065058927e-01 
4.34 -2.917062206e-01 
4.36 -2.769625025e-01 
4.38 -2.623082586e-01 
4.40 -2.477775697e-01 
4.42 -2.333853118e-01 
4.44 -2.192018917e-01 
4.46 -2.049943431e-01 
4.48 -1.909881511e-01 
4.50 -1.777993020e-01 
4.52 -1.660182146e-01 
4.54 -1.549956046e-01 
4.56 -1.429439101e-01 
4.58 -1.288401784e-01 
4.60 -1.122773839e-01 
4.62 -9.386108946e-02 
4.64 -7.540802502e-02 
4.66 -5.822825258e-02 
4.68 -4.311311832e-02 
4.70 -3.047467885e-02 
4.72 -2.046161359e-02 
4.74 -1.306493280e-02 
4.76 -8.204112383e-03 
4.78 -5.800544964e-03 
4.80 -5.494418441e-03 
4.82 -5.550109841e-03 
4.84 -5.704954821e-03 
4.86 -5.944315954e-03 
4.88 -6.253555437e-03 
4.90 -6.618036415e-03 
4.92 -7.023121762e-03 
4.94 -7.454174030e-03 
4.96 -7.896555540e-03 
4.98 -8.335629850e-03 
5.00 -8.756758752e-03 
5.02 -9.147962545e-03 
5.04 -9.507887677e-03 
5.06 -9.837836570e-03 
5.08 -1.013911349e-02 
5.10 -1.041302123e-02 
5.12 -1.066086328e-02 
5.14 -1.088394297e-02 
5.16 -1.108356303e-02 
5.18 -1.126102729e-02 
5.20 -1.141763943e-02 
5.22 -1.155470193e-02 
5.24 -1.167351838e-02 
5.26 -1.177539208e-02 
5.28 -1.186162625e-02 
5.30 -1.193352437e-02 
5.32 -1.199238963e-02 
5.34 -1.203952513e-02 
5.36 -1.207623417e-02 
5.38 -1.210382057e-02 
5.40 -1.212358717e-02 
5.42 -1.213683731e-02 
5.44 -1.214487410e-02 
5.46 -1.214900127e-02 
5.48 -1.215052165e-02 
5.50 -1.215073900e-02 
5.52 -1.215073900e-02 
5.54 -1.215073900e-02 
5.56 -1.215073900e-02 
5.58 -1.215073900e-02 
5.60 -1.215073900e-02 
5.62 -1.215073900e-02 
5.64 -1.215073900e-02 
5.66 -1.215073900e-02 
5.68 -1.215073900e-02 
5.70 -1.215073900e-02 
5.72 -1.215073900e-02 
5.74 -1.215073900e-02 
5.76 -1.215073900e-02 
5.78 -1.215073900e-02 
5.80 -1.215073900e-02 
5.82 -1.215073900e-02 
5.84 -1.215073900e-02 
5.86 -1.215073900e-02 
5.88 -1.215073900e-02 
5.90 -1.215073900e-02 
5.92 -1.215073900e-02 
5.94 -1.215073900e-02 
5.96 -1.215073900e-02 
5.98 -1.215073900e-02 
6.00 -1.215073900e-02