# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al
# implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1
# composition = FeMn2
# 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 2025-07-01

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  nan             
0.92  nan             
0.94  nan             
0.96  2.312611075e+02 
0.98  2.118592214e+02 
1.00  1.944120088e+02 
1.02  1.784853947e+02 
1.04  1.637186424e+02 
1.06  1.504440336e+02 
1.08  1.383029014e+02 
1.10  1.271781516e+02 
1.12  1.168469799e+02 
1.14  1.073043122e+02 
1.16  9.864899448e+01 
1.18  9.067284565e+01 
1.20  8.351476658e+01 
1.22  7.676269999e+01 
1.24  7.047515470e+01 
1.26  6.477690763e+01 
1.28  5.951299733e+01 
1.30  5.469716368e+01 
1.32  5.015187120e+01 
1.34  4.609157618e+01 
1.36  4.221510543e+01 
1.38  3.865817447e+01 
1.40  3.535949969e+01 
1.42  3.231614911e+01 
1.44  2.965078789e+01 
1.46  2.719337797e+01 
1.48  2.476910888e+01 
1.50  2.253173934e+01 
1.52  2.050777656e+01 
1.54  1.869732209e+01 
1.56  1.692313024e+01 
1.58  1.531055219e+01 
1.60  1.379700603e+01 
1.62  1.240043106e+01 
1.64  1.111195106e+01 
1.66  9.962959680e+00 
1.68  8.912304932e+00 
1.70  7.893360292e+00 
1.72  6.954364330e+00 
1.74  6.160404216e+00 
1.76  5.357237157e+00 
1.78  4.618125169e+00 
1.80  3.938328619e+00 
1.82  3.366596589e+00 
1.84  2.787833228e+00 
1.86  2.356411596e+00 
1.88  1.860531956e+00 
1.90  1.406257075e+00 
1.92  9.905201192e-01 
1.94  6.468539952e-01 
1.96  2.968144068e-01 
1.98 -2.233767267e-02 
2.00 -3.128834840e-01 
2.02 -5.769381527e-01 
2.04 -8.164633612e-01 
2.06 -1.033278981e+00 
2.08 -1.229073757e+00 
2.10 -1.360526807e+00 
2.12 -1.497863443e+00 
2.14 -1.644676089e+00 
2.16 -1.775700819e+00 
2.18 -1.892133653e+00 
2.20 -1.995085562e+00 
2.22 -2.085588631e+00 
2.24 -2.091823186e+00 
2.26 -2.165584781e+00 
2.28 -2.229183880e+00 
2.30 -2.283418237e+00 
2.32 -2.329029154e+00 
2.34 -2.366705475e+00 
2.36 -2.397087277e+00 
2.38 -2.420769297e+00 
2.40 -2.438304107e+00 
2.42 -2.450205055e+00 
2.44 -2.414178563e+00 
2.46 -2.419118824e+00 
2.48 -2.419559045e+00 
2.50 -2.415894372e+00 
2.52 -2.357848354e+00 
2.54 -2.350367781e+00 
2.56 -2.339589100e+00 
2.58 -2.325819566e+00 
2.60 -2.309344271e+00 
2.62 -2.290427656e+00 
2.64 -2.269314918e+00 
2.66 -2.246233319e+00 
2.68 -2.221393407e+00 
2.70 -2.194990158e+00 
2.72 -2.167204029e+00 
2.74 -2.119811961e+00 
2.76 -2.090859118e+00 
2.78 -2.060920413e+00 
2.80 -2.030131479e+00 
2.82 -1.998617520e+00 
2.84 -1.966494023e+00 
2.86 -1.933867419e+00 
2.88 -1.900835707e+00 
2.90 -1.867489027e+00 
2.92 -1.833910202e+00 
2.94 -1.800175244e+00 
2.96 -1.766353819e+00 
2.98 -1.732509692e+00 
3.00 -1.698701134e+00 
3.02 -1.664981305e+00 
3.04 -1.631398612e+00 
3.06 -1.597997045e+00 
3.08 -1.564816485e+00 
3.10 -1.531892999e+00 
3.12 -1.499259109e+00 
3.14 -1.466944049e+00 
3.16 -1.421100014e+00 
3.18 -1.390235444e+00 
3.20 -1.359720955e+00 
3.22 -1.329576889e+00 
3.24 -1.299821230e+00 
3.26 -1.270469779e+00 
3.28 -1.241536315e+00 
3.30 -1.160807416e+00 
3.32 -1.135369165e+00 
3.34 -1.110248177e+00 
3.36 -1.085458082e+00 
3.38 -1.061010834e+00 
3.40 -1.036916830e+00 
3.42 -1.013185030e+00 
3.44 -9.898230560e-01 
3.46 -9.668373002e-01 
3.48 -9.442330129e-01 
3.50 -9.220143923e-01 
3.52 -9.001846659e-01 
3.54 -8.787461673e-01 
3.56 -8.577004069e-01 
3.58 -8.370481392e-01 
3.60 -8.167894251e-01 
3.62 -7.969236900e-01 
3.64 -7.774497778e-01 
3.66 -7.583660021e-01 
3.68 -7.396701931e-01 
3.70 -7.213597417e-01 
3.72 -7.034316405e-01 
3.74 -6.858825223e-01 
3.76 -6.687086954e-01 
3.78 -6.519061766e-01 
3.80 -6.354707226e-01 
3.82 -6.193978580e-01 
3.84 -6.036829021e-01 
3.86 -5.503102437e-01 
3.88 -5.369343537e-01 
3.90 -5.238310527e-01 
3.92 -5.109980584e-01 
3.94 -4.984328655e-01 
3.96 -4.861327667e-01 
3.98 -4.740948737e-01 
4.00 -4.623161362e-01 
4.02 -4.507933592e-01 
4.04 -4.395232200e-01 
4.06 -4.285022834e-01 
4.08 -4.177270158e-01 
4.10 -4.071937988e-01 
4.12 -3.968989412e-01 
4.14 -3.868386909e-01 
4.16 -3.770092449e-01 
4.18 -3.674067597e-01 
4.20 -3.580273603e-01 
4.22 -3.488671481e-01 
4.24 -3.399222094e-01 
4.26 -3.311886220e-01 
4.28 -3.226624621e-01 
4.30 -3.143398102e-01 
4.32 -3.062167568e-01 
4.34 -2.982894073e-01 
4.36 -2.905538868e-01 
4.38 -2.830063445e-01 
4.40 -2.756429572e-01 
4.42 -2.684599332e-01 
4.44 -2.614535153e-01 
4.46 -2.546199835e-01 
4.48 -2.479556582e-01 
4.50 -2.414569016e-01 
4.52 -2.351201208e-01 
4.54 -2.289417688e-01 
4.56 -2.229183464e-01 
4.58 -2.170464039e-01 
4.60 -2.113225418e-01 
4.62 -2.057434122e-01 
4.64 -2.003057198e-01 
4.66 -1.950062221e-01 
4.68 -1.898417306e-01 
4.70 -1.848091109e-01 
4.72 -1.799052831e-01 
4.74 -1.751272223e-01 
4.76 -1.704719582e-01 
4.78 -1.659365756e-01 
4.80 -1.615182145e-01 
4.82 -1.572140692e-01 
4.84 -1.530213889e-01 
4.86 -1.489374771e-01 
4.88 -1.449596912e-01 
4.90 -1.410854425e-01 
4.92 -1.373121951e-01 
4.94 -1.336374661e-01 
4.96 -1.300588248e-01 
4.98 -1.265738921e-01 
5.00 -1.231803398e-01 
5.02 -1.198758905e-01 
5.04 -1.166583164e-01 
5.06 -1.135254388e-01 
5.08 -1.104751275e-01 
5.10 -1.075053002e-01 
5.12 -1.046139215e-01 
5.14 -1.017990022e-01 
5.16 -9.905859890e-02 
5.18 -9.639081284e-02 
5.20 -9.379378938e-02 
5.22 -9.126571714e-02 
5.24 -8.880482728e-02 
5.26 -8.640939268e-02 
5.28 -8.407772724e-02 
5.30 -8.180818506e-02 
5.32 -7.959915966e-02 
5.34 -7.744908328e-02 
5.36 -7.535642604e-02 
5.38 -7.331969524e-02 
5.40 -7.133743458e-02 
5.42 -6.940822341e-02 
5.44 -6.753067602e-02 
5.46 -5.507791022e-02 
5.48 -5.362930842e-02 
5.50 -5.221823347e-02 
5.52 -5.084374384e-02 
5.54 -4.950491997e-02 
5.56 -4.820086381e-02 
5.58 -4.693069847e-02 
5.60 -4.569356776e-02 
5.62 -4.448863577e-02 
5.64 -4.331508652e-02 
5.66 -4.217212348e-02 
5.68 -4.105896923e-02 
5.70 -3.997486505e-02 
5.72 -3.891907051e-02 
5.74 -3.789086311e-02 
5.76 -3.688953788e-02 
5.78 -3.591440701e-02 
5.80 -3.496479949e-02 
5.82 -3.404006071e-02 
5.84 -3.313955217e-02 
5.86 -3.226265103e-02 
5.88 -3.140874985e-02 
5.90 -3.057725618e-02 
5.92 -2.976759228e-02 
5.94 -2.897919472e-02 
5.96 -2.821151412e-02 
5.98 -2.746401479e-02 
6.00 -2.673617444e-02