# 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 = Cr2Fe
# 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  2.927486687e+02 
0.98  2.679179414e+02 
1.00  2.455626796e+02 
1.02  2.251817418e+02 
1.04  2.063278202e+02 
1.06  1.893557118e+02 
1.08  1.738412606e+02 
1.10  1.596395417e+02 
1.12  1.464823871e+02 
1.14  1.343506929e+02 
1.16  1.233379294e+02 
1.18  1.132039733e+02 
1.20  1.040934978e+02 
1.22  9.553101226e+01 
1.24  8.757715350e+01 
1.26  8.036426393e+01 
1.28  7.370623973e+01 
1.30  6.761684657e+01 
1.32  6.189238370e+01 
1.34  5.676971637e+01 
1.36  5.189889471e+01 
1.38  4.743178904e+01 
1.40  4.329634118e+01 
1.42  3.948539627e+01 
1.44  3.612865320e+01 
1.46  3.303960031e+01 
1.48  3.001926283e+01 
1.50  2.723535231e+01 
1.52  2.471807374e+01 
1.54  2.245641117e+01 
1.56  2.025941866e+01 
1.58  1.826221738e+01 
1.60  1.639381945e+01 
1.62  1.467250949e+01 
1.64  1.308700158e+01 
1.66  1.167386149e+01 
1.68  1.037871605e+01 
1.70  9.132042013e+00 
1.72  7.985345605e+00 
1.74  7.009549257e+00 
1.76  6.033262597e+00 
1.78  5.136744475e+00 
1.80  4.314004407e+00 
1.82  3.622686638e+00 
1.84  2.925478207e+00 
1.86  2.395967249e+00 
1.88  1.802573609e+00 
1.90  1.260506676e+00 
1.92  7.659150020e-01 
1.94  3.554288156e-01 
1.96 -5.808722284e-02 
1.98 -4.337467864e-01 
2.00 -7.744024624e-01 
2.02 -1.082696491e+00 
2.04 -1.361076924e+00 
2.06 -1.611812453e+00 
2.08 -1.837006023e+00 
2.10 -1.989630522e+00 
2.12 -2.146612422e+00 
2.14 -2.311975900e+00 
2.16 -2.458343778e+00 
2.18 -2.587193626e+00 
2.20 -2.699896194e+00 
2.22 -2.797723237e+00 
2.24 -2.801430540e+00 
2.26 -2.878976078e+00 
2.28 -2.944488333e+00 
2.30 -2.998943230e+00 
2.32 -3.043246269e+00 
2.34 -3.078237573e+00 
2.36 -3.104696546e+00 
2.38 -3.123346204e+00 
2.40 -3.134857174e+00 
2.42 -3.139851409e+00 
2.44 -3.088037690e+00 
2.46 -3.085243837e+00 
2.48 -3.077292263e+00 
2.50 -3.064659386e+00 
2.52 -2.992576045e+00 
2.54 -2.975542228e+00 
2.56 -2.954813139e+00 
2.58 -2.930755317e+00 
2.60 -2.903708095e+00 
2.62 -2.873985493e+00 
2.64 -2.841877970e+00 
2.66 -2.807654070e+00 
2.68 -2.771561937e+00 
2.70 -2.733830739e+00 
2.72 -2.694671984e+00 
2.74 -2.633954788e+00 
2.76 -2.593760761e+00 
2.78 -2.552603003e+00 
2.80 -2.510638538e+00 
2.82 -2.468011812e+00 
2.84 -2.424855569e+00 
2.86 -2.381291672e+00 
2.88 -2.337431870e+00 
2.90 -2.293378502e+00 
2.92 -2.249225168e+00 
2.94 -2.205057343e+00 
2.96 -2.160952958e+00 
2.98 -2.116982932e+00 
3.00 -2.073211680e+00 
3.02 -2.029697575e+00 
3.04 -1.986493390e+00 
3.06 -1.943646699e+00 
3.08 -1.901200257e+00 
3.10 -1.859192357e+00 
3.12 -1.817657157e+00 
3.14 -1.776624987e+00 
3.16 -1.719634866e+00 
3.18 -1.680586283e+00 
3.20 -1.642062510e+00 
3.22 -1.604083891e+00 
3.24 -1.566668055e+00 
3.26 -1.529830118e+00 
3.28 -1.493582881e+00 
3.30 -1.400976191e+00 
3.32 -1.368844315e+00 
3.34 -1.337181925e+00 
3.36 -1.306001684e+00 
3.38 -1.275314362e+00 
3.40 -1.245128980e+00 
3.42 -1.215452943e+00 
3.44 -1.186292173e+00 
3.46 -1.157651220e+00 
3.48 -1.129533374e+00 
3.50 -1.101940770e+00 
3.52 -1.074874483e+00 
3.54 -1.048334615e+00 
3.56 -1.022320378e+00 
3.58 -9.968301775e-01 
3.60 -9.718616767e-01 
3.62 -9.474118691e-01 
3.64 -9.234771392e-01 
3.66 -9.000533210e-01 
3.68 -8.771357519e-01 
3.70 -8.547193237e-01 
3.72 -8.327985284e-01 
3.74 -8.113675027e-01 
3.76 -7.904200670e-01 
3.78 -7.699497641e-01 
3.80 -7.499498926e-01 
3.82 -7.304135398e-01 
3.84 -7.113336109e-01 
3.86 -6.506648315e-01 
3.88 -6.343203970e-01 
3.90 -6.183296010e-01 
3.92 -6.026883785e-01 
3.94 -5.873924500e-01 
3.96 -5.724373459e-01 
3.98 -5.578184297e-01 
4.00 -5.435309186e-01 
4.02 -5.295699036e-01 
4.04 -5.159303671e-01 
4.06 -5.026072005e-01 
4.08 -4.895952188e-01 
4.10 -4.768891762e-01 
4.12 -4.644837785e-01 
4.14 -4.523736957e-01 
4.16 -4.405535736e-01 
4.18 -4.290180440e-01 
4.20 -4.177617341e-01 
4.22 -4.067792758e-01 
4.24 -3.960653135e-01 
4.26 -3.856145116e-01 
4.28 -3.754215610e-01 
4.30 -3.654811855e-01 
4.32 -3.557881475e-01 
4.34 -3.463372527e-01 
4.36 -3.371233549e-01 
4.38 -3.281413603e-01 
4.40 -3.193862308e-01 
4.42 -3.108529877e-01 
4.44 -3.025367143e-01 
4.46 -2.944325588e-01 
4.48 -2.865357363e-01 
4.50 -2.788415313e-01 
4.52 -2.713452987e-01 
4.54 -2.640424658e-01 
4.56 -2.569285333e-01 
4.58 -2.499990766e-01 
4.60 -2.432497460e-01 
4.62 -2.366762680e-01 
4.64 -2.302744455e-01 
4.66 -2.240401578e-01 
4.68 -2.179693615e-01 
4.70 -2.120580895e-01 
4.72 -2.063024517e-01 
4.74 -2.006986347e-01 
4.76 -1.952429009e-01 
4.78 -1.899315889e-01 
4.80 -1.847611123e-01 
4.82 -1.797279596e-01 
4.84 -1.748286933e-01 
4.86 -1.700599493e-01 
4.88 -1.654184361e-01 
4.90 -1.609009339e-01 
4.92 -1.565042940e-01 
4.94 -1.522254375e-01 
4.96 -1.480613549e-01 
4.98 -1.440091046e-01 
5.00 -1.400658121e-01 
5.02 -1.362286690e-01 
5.04 -1.324949321e-01 
5.06 -1.288619222e-01 
5.08 -1.253270228e-01 
5.10 -1.218876796e-01 
5.12 -1.185413987e-01 
5.14 -1.152857462e-01 
5.16 -1.121183466e-01 
5.18 -1.090368818e-01 
5.20 -1.060390904e-01 
5.22 -1.031227659e-01 
5.24 -1.002857561e-01 
5.26 -9.752596214e-02 
5.28 -9.484133685e-02 
5.30 -9.222988415e-02 
5.32 -8.968965781e-02 
5.34 -8.721876044e-02 
5.36 -8.481534238e-02 
5.38 -8.247760073e-02 
5.40 -8.020377830e-02 
5.42 -7.799216260e-02 
5.44 -7.584108483e-02 
5.46 -6.111400060e-02 
5.48 -5.948221986e-02 
5.50 -5.789341085e-02 
5.52 -5.634647433e-02 
5.54 -5.484033736e-02 
5.56 -5.337395283e-02 
5.58 -5.194629892e-02 
5.60 -5.055637856e-02 
5.62 -4.920321897e-02 
5.64 -4.788587105e-02 
5.66 -4.660340898e-02 
5.68 -4.535492967e-02 
5.70 -4.413955227e-02 
5.72 -4.295641768e-02 
5.74 -4.180468811e-02 
5.76 -4.068354656e-02 
5.78 -3.959219639e-02 
5.80 -3.852986084e-02 
5.82 -3.749578262e-02 
5.84 -3.648922341e-02 
5.86 -3.550946347e-02 
5.88 -3.455580121e-02 
5.90 -3.362755275e-02 
5.92 -3.272405151e-02 
5.94 -3.184464782e-02 
5.96 -3.098870854e-02 
5.98 -3.015561662e-02 
6.00 -2.934477075e-02