# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni
# implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1
# composition = CrMn2
# 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  nan             
0.92  nan             
0.94  nan             
0.96  nan             
0.98  nan             
1.00  7.788487207e+04 
1.02  6.135883496e+04 
1.04  4.855862163e+04 
1.06  3.859591004e+04 
1.08  3.080536954e+04 
1.10  2.468595975e+04 
1.12  1.985837892e+04 
1.14  1.603402956e+04 
1.16  1.299225436e+04 
1.18  1.056354773e+04 
1.20  8.617106980e+03 
1.22  7.051553563e+03 
1.24  5.787981197e+03 
1.26  4.764723230e+03 
1.28  3.933395331e+03 
1.30  3.255888416e+03 
1.32  2.702075785e+03 
1.34  2.248055911e+03 
1.36  1.874799627e+03 
1.38  1.567105973e+03 
1.40  1.312792628e+03 
1.42  1.102065296e+03 
1.44  9.270253222e+02 
1.46  7.812841983e+02 
1.48  6.596600049e+02 
1.50  5.579379744e+02 
1.52  4.726803666e+02 
1.54  4.010758336e+02 
1.56  3.408191604e+02 
1.58  2.900153033e+02 
1.60  2.471029475e+02 
1.62  2.107925658e+02 
1.64  1.800163036e+02 
1.66  1.538880857e+02 
1.68  1.316711174e+02 
1.70  1.127514469e+02 
1.72  9.661651811e+01 
1.74  8.283763875e+01 
1.76  7.105549838e+01 
1.78  6.096824267e+01 
1.80  5.232191045e+01 
1.82  4.490252469e+01 
1.84  3.852937307e+01 
1.86  3.304962708e+01 
1.88  2.833389380e+01 
1.90  2.427247133e+01 
1.92  2.077223762e+01 
1.94  1.775394133e+01 
1.96  1.514993136e+01 
1.98  1.290231658e+01 
2.00  1.096160400e+01 
2.02  9.285456921e+00 
2.04  7.837619461e+00 
2.06  6.586924212e+00 
2.08  5.506594786e+00 
2.10  4.573609195e+00 
2.12  3.768141660e+00 
2.14  3.073106541e+00 
2.16  2.473772471e+00 
2.18  1.957435386e+00 
2.20  1.513141212e+00 
2.22  1.131423608e+00 
2.24  8.040120030e-01 
2.26  5.237265358e-01 
2.28  2.843533966e-01 
2.30  8.051245769e-02 
2.32 -9.244992700e-02 
2.34 -2.385529704e-01 
2.36 -3.613136997e-01 
2.38 -4.638607183e-01 
2.40 -5.489271861e-01 
2.42 -6.188944915e-01 
2.44 -6.758356392e-01 
2.46 -7.215524912e-01 
2.48 -7.576077279e-01 
2.50 -7.853522683e-01 
2.52 -8.059487813e-01 
2.54 -8.203918279e-01 
2.56 -8.295251766e-01 
2.58 -8.340763804e-01 
2.60 -8.346985050e-01 
2.62 -8.319474867e-01 
2.64 -8.262986888e-01 
2.66 -8.181975345e-01 
2.68 -8.080458823e-01 
2.70 -7.961932950e-01 
2.72 -7.829335357e-01 
2.74 -7.685126807e-01 
2.76 -7.531440550e-01 
2.78 -7.370124484e-01 
2.80 -7.202773948e-01 
2.82 -7.030759871e-01 
2.84 -6.855252823e-01 
2.86 -6.677243563e-01 
2.88 -6.497605341e-01 
2.90 -6.317207988e-01 
2.92 -6.136842243e-01 
2.94 -5.957210035e-01 
2.96 -5.778934862e-01 
2.98 -5.602570552e-01 
3.00 -5.428608608e-01 
3.02 -5.257484309e-01 
3.04 -5.089581717e-01 
3.06 -4.925237717e-01 
3.08 -4.764745216e-01 
3.10 -4.608355594e-01 
3.12 -4.456280496e-01 
3.14 -4.308693050e-01 
3.16 -4.165728062e-01 
3.18 -4.027448769e-01 
3.20 -3.893832112e-01 
3.22 -3.764824773e-01 
3.24 -3.640347251e-01 
3.26 -3.520292156e-01 
3.28 -3.404522248e-01 
3.30 -3.292868271e-01 
3.32 -3.185144795e-01 
3.34 -3.081207624e-01 
3.36 -2.980906139e-01 
3.38 -2.884064404e-01 
3.40 -2.790479079e-01 
3.42 -2.699917229e-01 
3.44 -2.612114042e-01 
3.46 -2.526785281e-01 
3.48 -2.443792698e-01 
3.50 -2.363107679e-01 
3.52 -2.284707113e-01 
3.54 -2.208571097e-01 
3.56 -2.134682484e-01 
3.58 -2.063026397e-01 
3.60 -1.993589693e-01 
3.62 -1.926360416e-01 
3.64 -1.861327208e-01 
3.66 -1.798478709e-01 
3.68 -1.737802927e-01 
3.70 -1.679286596e-01 
3.72 -1.622914516e-01 
3.74 -1.568668882e-01 
3.76 -1.516528596e-01 
3.78 -1.466468575e-01 
3.80 -1.418459042e-01 
3.82 -1.372464820e-01 
3.84 -1.328444606e-01 
3.86 -1.286350252e-01 
3.88 -1.246126032e-01 
3.90 -1.207707907e-01 
3.92 -1.171022791e-01 
3.94 -1.135987806e-01 
3.96 -1.102509539e-01 
3.98 -1.070483301e-01 
4.00 -1.039792373e-01 
4.02 -1.010307262e-01 
4.04 -9.818849499e-02 
4.06 -9.543859982e-02 
4.08 -9.277524778e-02 
4.10 -9.019551196e-02 
4.12 -8.769656591e-02 
4.14 -8.527567953e-02 
4.16 -8.293021623e-02 
4.18 -8.065763014e-02 
4.20 -7.845546332e-02 
4.22 -7.632134304e-02 
4.24 -7.425297906e-02 
4.26 -7.224816095e-02 
4.28 -7.030475551e-02 
4.30 -6.842070422e-02 
4.32 -6.659402071e-02 
4.34 -6.482278832e-02 
4.36 -6.310515778e-02 
4.38 -6.143934483e-02 
4.40 -5.982362799e-02 
4.42 -5.825634637e-02 
4.44 -5.673589756e-02 
4.46 -5.526073555e-02 
4.48 -5.382918665e-02 
4.50 -5.243893505e-02 
4.52 -5.108763235e-02 
4.54 -4.977308551e-02 
4.56 -4.849325151e-02 
4.58 -4.724623202e-02 
4.60 -4.603026822e-02 
4.62 -4.484373551e-02 
4.64 -4.368513836e-02 
4.66 -4.255310516e-02 
4.68 -4.144638314e-02 
4.70 -4.036383323e-02 
4.72 -3.930442510e-02 
4.74 -3.826723208e-02 
4.76 -3.725142623e-02 
4.78 -3.625627341e-02 
4.80 -3.528112830e-02 
4.82 -3.432542960e-02 
4.84 -3.338869511e-02 
4.86 -3.247051693e-02 
4.88 -3.157055669e-02 
4.90 -3.068854070e-02 
4.92 -2.982425529e-02 
4.94 -2.897754204e-02 
4.96 -2.814829306e-02 
4.98 -2.733644638e-02 
5.00 -2.654198122e-02 
5.02 -2.576491343e-02 
5.04 -2.500529079e-02 
5.06 -2.426318853e-02 
5.08 -2.353870464e-02 
5.10 -2.283195540e-02 
5.12 -2.214307081e-02 
5.14 -2.147219006e-02 
5.16 -2.081943551e-02 
5.18 -2.018444694e-02 
5.20 -1.956643058e-02 
5.22 -1.896464951e-02 
5.24 -1.837843886e-02 
5.26 -1.780719882e-02 
5.28 -1.725038778e-02 
5.30 -1.670751538e-02 
5.32 -1.617813567e-02 
5.34 -1.566184010e-02 
5.36 -1.515825071e-02 
5.38 -1.466701313e-02 
5.40 -1.418778975e-02 
5.42 -1.372025277e-02 
5.44 -1.326407727e-02 
5.46 -1.281893435e-02 
5.48 -1.238448419e-02 
5.50 -1.196036913e-02 
5.52 -1.154620680e-02 
5.54 -1.114158317e-02 
5.56 -1.074604566e-02 
5.58 -1.035909623e-02 
5.60 -9.980184451e-03 
5.62 -9.608700632e-03 
5.64 -9.243968876e-03 
5.66 -8.885240186e-03 
5.68 -8.531685553e-03 
5.70 -8.182389045e-03 
5.72 -7.836343310e-03 
5.74 -7.492893076e-03 
5.76 -7.152311799e-03 
5.78 -6.815013826e-03 
5.80 -6.481429407e-03 
5.82 -6.152001848e-03 
5.84 -5.827184676e-03 
5.86 -5.507438793e-03 
5.88 -5.193229643e-03 
5.90 -4.885024366e-03 
5.92 -4.583288960e-03 
5.94 -4.288485441e-03 
5.96 -4.001069002e-03 
5.98 -3.721485173e-03 
6.00 -3.450166979e-03