# 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-Sb
# implementation = 2026--Park-J-H--Fe-Cu-Sb--LAMMPS--ipr1
# composition = Cu2Sb
# 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  2.131126626e+02 
0.80  2.014429546e+02 
0.82  1.904223839e+02 
0.84  1.800130285e+02 
0.86  1.701793065e+02 
0.88  1.608878253e+02 
0.90  1.521072398e+02 
0.92  1.438081213e+02 
0.94  1.359628339e+02 
0.96  1.285454193e+02 
0.98  1.215314900e+02 
1.00  1.148981284e+02 
1.02  1.086237935e+02 
1.04  1.026882336e+02 
1.06  9.707240418e+01 
1.08  9.175839208e+01 
1.10  8.672934410e+01 
1.12  8.196940049e+01 
1.14  7.746363270e+01 
1.16  7.319798518e+01 
1.18  6.915922064e+01 
1.20  6.533486872e+01 
1.22  6.171317730e+01 
1.24  5.828306636e+01 
1.26  5.503408375e+01 
1.28  5.195636249e+01 
1.30  4.904057934e+01 
1.32  4.627791435e+01 
1.34  4.366001119e+01 
1.36  4.117893866e+01 
1.38  3.882715345e+01 
1.40  3.659746493e+01 
1.42  3.448300280e+01 
1.44  3.247718843e+01 
1.46  3.057371103e+01 
1.48  2.876650964e+01 
1.50  2.704976156e+01 
1.52  2.541787791e+01 
1.54  2.386550633e+01 
1.56  2.238754038e+01 
1.58  2.097913491e+01 
1.60  1.963572602e+01 
1.62  1.835305373e+01 
1.64  1.712718532e+01 
1.66  1.595453697e+01 
1.68  1.483189135e+01 
1.70  1.375640889e+01 
1.72  1.272563087e+01 
1.74  1.173747296e+01 
1.76  1.079020862e+01 
1.78  9.882442271e+00 
1.80  9.013073369e+00 
1.82  8.181252694e+00 
1.84  7.386333260e+00 
1.86  6.627818286e+00 
1.88  5.905308960e+00 
1.90  5.218454607e+00 
1.92  4.566907529e+00 
1.94  3.950284332e+00 
1.96  3.368283617e+00 
1.98  2.832392621e+00 
2.00  2.359427987e+00 
2.02  1.880727406e+00 
2.04  1.432776187e+00 
2.06  1.014690879e+00 
2.08  6.254966223e-01 
2.10  2.641381361e-01 
2.12 -7.050687912e-02 
2.14 -3.796129915e-01 
2.16 -6.643918443e-01 
2.18 -9.260772625e-01 
2.20 -1.165911223e+00 
2.22 -1.385131084e+00 
2.24 -1.584958333e+00 
2.26 -1.766588953e+00 
2.28 -1.931185467e+00 
2.30 -2.079870569e+00 
2.32 -2.213722269e+00 
2.34 -2.333770397e+00 
2.36 -2.440994305e+00 
2.38 -2.536321616e+00 
2.40 -2.620626145e+00 
2.42 -2.694650018e+00 
2.44 -2.758846068e+00 
2.46 -2.814617395e+00 
2.48 -2.862601957e+00 
2.50 -2.903182100e+00 
2.52 -2.936945150e+00 
2.54 -2.964437407e+00 
2.56 -2.986166327e+00 
2.58 -3.002602736e+00 
2.60 -3.014183038e+00 
2.62 -3.021311398e+00 
2.64 -3.024361853e+00 
2.66 -3.023680358e+00 
2.68 -3.019586735e+00 
2.70 -3.012376535e+00 
2.72 -3.002322795e+00 
2.74 -2.989677685e+00 
2.76 -2.974674070e+00 
2.78 -2.957526953e+00 
2.80 -2.938434830e+00 
2.82 -2.917580947e+00 
2.84 -2.895134473e+00 
2.86 -2.871251573e+00 
2.88 -2.846076420e+00 
2.90 -2.819742113e+00 
2.92 -2.792371535e+00 
2.94 -2.764078143e+00 
2.96 -2.734966694e+00 
2.98 -2.705133915e+00 
3.00 -2.674669118e+00 
3.02 -2.643654775e+00 
3.04 -2.612167034e+00 
3.06 -2.580276205e+00 
3.08 -2.548047202e+00 
3.10 -2.515539950e+00 
3.12 -2.482809765e+00 
3.14 -2.449907693e+00 
3.16 -2.416880833e+00 
3.18 -2.383772630e+00 
3.20 -2.350623143e+00 
3.22 -2.317469298e+00 
3.24 -2.284345111e+00 
3.26 -2.251281904e+00 
3.28 -2.218308502e+00 
3.30 -2.185451408e+00 
3.32 -2.152734972e+00 
3.34 -2.120181543e+00 
3.36 -2.087811616e+00 
3.38 -2.055643671e+00 
3.40 -2.021858937e+00 
3.42 -1.969175848e+00 
3.44 -1.862126182e+00 
3.46 -1.714295415e+00 
3.48 -1.678227742e+00 
3.50 -1.650327031e+00 
3.52 -1.622733374e+00 
3.54 -1.595453950e+00 
3.56 -1.568495024e+00 
3.58 -1.541862011e+00 
3.60 -1.515559544e+00 
3.62 -1.489591526e+00 
3.64 -1.463961184e+00 
3.66 -1.438671121e+00 
3.68 -1.413723362e+00 
3.70 -1.389119394e+00 
3.72 -1.364860209e+00 
3.74 -1.340946340e+00 
3.76 -1.317377898e+00 
3.78 -1.294154601e+00 
3.80 -1.271275808e+00 
3.82 -1.248740544e+00 
3.84 -1.226547529e+00 
3.86 -1.204695202e+00 
3.88 -1.183181744e+00 
3.90 -1.162005100e+00 
3.92 -1.138905774e+00 
3.94 -1.084994162e+00 
3.96 -9.213195029e-01 
3.98 -5.262681414e-01 
4.00 -3.110675195e-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