# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-As
# implementation = 2026--Park-J-H--Fe-Cu-As--LAMMPS--ipr1
# composition = As2Cu
# 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 2026-06-16

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  4.733859538e+02 
0.80  4.431172084e+02 
0.82  4.146774008e+02 
0.84  3.879601200e+02 
0.86  3.628649631e+02 
0.88  3.392972046e+02 
0.90  3.171674845e+02 
0.92  2.963915120e+02 
0.94  2.768897866e+02 
0.96  2.585873322e+02 
0.98  2.414134475e+02 
1.00  2.253014683e+02 
1.02  2.101885438e+02 
1.04  1.960154237e+02 
1.06  1.827262583e+02 
1.08  1.702684079e+02 
1.10  1.585922640e+02 
1.12  1.476510789e+02 
1.14  1.374008055e+02 
1.16  1.277999455e+02 
1.18  1.188094059e+02 
1.20  1.103923635e+02 
1.22  1.025141365e+02 
1.24  9.514206367e+01 
1.26  8.824538971e+01 
1.28  8.179515728e+01 
1.30  7.576410479e+01 
1.32  7.012657000e+01 
1.34  6.485839884e+01 
1.36  5.993685945e+01 
1.38  5.534056083e+01 
1.40  5.104937622e+01 
1.42  4.704437063e+01 
1.44  4.330773248e+01 
1.46  3.982270903e+01 
1.48  3.657354550e+01 
1.50  3.354542756e+01 
1.52  3.072442707e+01 
1.54  2.809745084e+01 
1.56  2.565219240e+01 
1.58  2.337708632e+01 
1.60  2.126126527e+01 
1.62  1.929451940e+01 
1.64  1.746725807e+01 
1.66  1.577047376e+01 
1.68  1.419570802e+01 
1.70  1.273501920e+01 
1.72  1.138094718e+01 
1.74  1.012650012e+01 
1.76  8.965118992e+00 
1.78  7.890637540e+00 
1.80  6.897277606e+00 
1.82  5.979620240e+00 
1.84  5.132584405e+00 
1.86  4.351406921e+00 
1.88  3.631623546e+00 
1.90  2.969051155e+00 
1.92  2.359770934e+00 
1.94  1.800112549e+00 
1.96  1.286639201e+00 
1.98  8.161315252e-01 
2.00  3.855763477e-01 
2.02 -7.832421473e-03 
2.04 -3.667368040e-01 
2.06 -6.936010132e-01 
2.08 -9.907287210e-01 
2.10 -1.260272873e+00 
2.12 -1.504244930e+00 
2.14 -1.724523569e+00 
2.16 -1.922862877e+00 
2.18 -2.100900059e+00 
2.20 -2.260162692e+00 
2.22 -2.402075557e+00 
2.24 -2.527967059e+00 
2.26 -2.639075274e+00 
2.28 -2.736553633e+00 
2.30 -2.821476264e+00 
2.32 -2.894843025e+00 
2.34 -2.957584227e+00 
2.36 -3.010565080e+00 
2.38 -3.054589863e+00 
2.40 -3.090406389e+00 
2.42 -3.118730444e+00 
2.44 -3.140240830e+00 
2.46 -3.155406678e+00 
2.48 -3.164826183e+00 
2.50 -3.169041930e+00 
2.52 -3.168529147e+00 
2.54 -3.163727596e+00 
2.56 -3.155043943e+00 
2.58 -3.142853982e+00 
2.60 -3.127504722e+00 
2.62 -3.109316334e+00 
2.64 -3.088583990e+00 
2.66 -3.065579579e+00 
2.68 -3.040553310e+00 
2.70 -3.013735222e+00 
2.72 -2.985336595e+00 
2.74 -2.955551265e+00 
2.76 -2.924556865e+00 
2.78 -2.892515974e+00 
2.80 -2.859577202e+00 
2.82 -2.825876196e+00 
2.84 -2.791536586e+00 
2.86 -2.756670865e+00 
2.88 -2.721381213e+00 
2.90 -2.685760261e+00 
2.92 -2.649891813e+00 
2.94 -2.613851511e+00 
2.96 -2.577707458e+00 
2.98 -2.541520799e+00 
3.00 -2.505346263e+00 
3.02 -2.469232661e+00 
3.04 -2.433223360e+00 
3.06 -2.397356716e+00 
3.08 -2.361666475e+00 
3.10 -2.326182156e+00 
3.12 -2.290929391e+00 
3.14 -2.255930257e+00 
3.16 -2.221203568e+00 
3.18 -2.186765160e+00 
3.20 -2.152628142e+00 
3.22 -2.118803137e+00 
3.24 -2.085298502e+00 
3.26 -2.052120530e+00 
3.28 -2.019273638e+00 
3.30 -1.986760537e+00 
3.32 -1.954582396e+00 
3.34 -1.922738984e+00 
3.36 -1.891228807e+00 
3.38 -1.860049102e+00 
3.40 -1.828304699e+00 
3.42 -1.785033112e+00 
3.44 -1.676212371e+00 
3.46 -1.397901990e+00 
3.48 -1.340451422e+00 
3.50 -1.307162833e+00 
3.52 -1.274114698e+00 
3.54 -1.241307181e+00 
3.56 -1.208741175e+00 
3.58 -1.176418448e+00 
3.60 -1.144341789e+00 
3.62 -1.112515142e+00 
3.64 -1.080943752e+00 
3.66 -1.049634288e+00 
3.68 -1.018594972e+00 
3.70 -9.878356870e-01 
3.72 -9.573680790e-01 
3.74 -9.272056327e-01 
3.76 -8.973637324e-01 
3.78 -8.678596943e-01 
3.80 -8.387127691e-01 
3.82 -8.099441122e-01 
3.84 -7.815767146e-01 
3.86 -7.536352934e-01 
3.88 -7.261461375e-01 
3.90 -6.991369072e-01 
3.92 -6.712363351e-01 
3.94 -6.251122397e-01 
3.96 -5.163167868e-01 
3.98 -2.845019610e-01 
4.00 -3.173437050e-22 
4.02  0.000000000e+00 
4.04  0.000000000e+00 
4.06  0.000000000e+00 
4.08  0.000000000e+00 
4.10  0.000000000e+00 
4.12  0.000000000e+00 
4.14  0.000000000e+00 
4.16  0.000000000e+00 
4.18  0.000000000e+00 
4.20  0.000000000e+00 
4.22  0.000000000e+00 
4.24  0.000000000e+00 
4.26  0.000000000e+00 
4.28  0.000000000e+00 
4.30  0.000000000e+00 
4.32  0.000000000e+00 
4.34  0.000000000e+00 
4.36  0.000000000e+00 
4.38  0.000000000e+00 
4.40  0.000000000e+00 
4.42  0.000000000e+00 
4.44  0.000000000e+00 
4.46  0.000000000e+00 
4.48  0.000000000e+00 
4.50  0.000000000e+00 
4.52  0.000000000e+00 
4.54  0.000000000e+00 
4.56  0.000000000e+00 
4.58  0.000000000e+00 
4.60  0.000000000e+00 
4.62  0.000000000e+00 
4.64  0.000000000e+00 
4.66  0.000000000e+00 
4.68  0.000000000e+00 
4.70  0.000000000e+00 
4.72  0.000000000e+00 
4.74  0.000000000e+00 
4.76  0.000000000e+00 
4.78  0.000000000e+00 
4.80  0.000000000e+00 
4.82  0.000000000e+00 
4.84  0.000000000e+00 
4.86  0.000000000e+00 
4.88  0.000000000e+00 
4.90  0.000000000e+00 
4.92  0.000000000e+00 
4.94  0.000000000e+00 
4.96  0.000000000e+00 
4.98  0.000000000e+00 
5.00  0.000000000e+00 
5.02  0.000000000e+00 
5.04  0.000000000e+00 
5.06  0.000000000e+00 
5.08  0.000000000e+00 
5.10  0.000000000e+00 
5.12  0.000000000e+00 
5.14  0.000000000e+00 
5.16  0.000000000e+00 
5.18  0.000000000e+00 
5.20  0.000000000e+00 
5.22  0.000000000e+00 
5.24  0.000000000e+00 
5.26  0.000000000e+00 
5.28  0.000000000e+00 
5.30  0.000000000e+00 
5.32  0.000000000e+00 
5.34  0.000000000e+00 
5.36  0.000000000e+00 
5.38  0.000000000e+00 
5.40  0.000000000e+00 
5.42  0.000000000e+00 
5.44  0.000000000e+00 
5.46  0.000000000e+00 
5.48  0.000000000e+00 
5.50  0.000000000e+00 
5.52  0.000000000e+00 
5.54  0.000000000e+00 
5.56  0.000000000e+00 
5.58  0.000000000e+00 
5.60  0.000000000e+00 
5.62  0.000000000e+00 
5.64  0.000000000e+00 
5.66  0.000000000e+00 
5.68  0.000000000e+00 
5.70  0.000000000e+00 
5.72  0.000000000e+00 
5.74  0.000000000e+00 
5.76  0.000000000e+00 
5.78  0.000000000e+00 
5.80  0.000000000e+00 
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