# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Daramola-A-Bonny-G-Adjanor-G-et-al--Fe-Ni-Cr-Mn
# implementation = 2022--Daramola-A--Fe-Ni-Cr-Mn--LAMMPS--ipr1
# composition = CrNi2
# 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 2024-11-27

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  1.181049329e+04 
0.90  1.075994149e+04 
0.92  9.808187675e+03 
0.94  8.945028333e+03 
0.96  8.160972093e+03 
0.98  7.447439788e+03 
1.00  6.796848161e+03 
1.02  6.202669792e+03 
1.04  5.659375085e+03 
1.06  5.161997546e+03 
1.08  4.705827935e+03 
1.10  4.287087968e+03 
1.12  3.902346345e+03 
1.14  3.548406061e+03 
1.16  3.222557022e+03 
1.18  2.922170069e+03 
1.20  2.644795696e+03 
1.22  2.388337474e+03 
1.24  2.151074708e+03 
1.26  1.931439926e+03 
1.28  1.727989003e+03 
1.30  1.539283194e+03 
1.32  1.364199360e+03 
1.34  1.201741417e+03 
1.36  1.050833977e+03 
1.38  9.105453446e+02 
1.40  7.800361837e+02 
1.42  6.585859403e+02 
1.44  5.455885662e+02 
1.46  4.403977690e+02 
1.48  3.452087906e+02 
1.50  2.690748394e+02 
1.52  2.100572347e+02 
1.54  1.642071193e+02 
1.56  1.285116251e+02 
1.58  1.006925233e+02 
1.60  7.899096318e+01 
1.62  6.202388866e+01 
1.64  4.872043687e+01 
1.66  3.826591628e+01 
1.68  3.003187923e+01 
1.70  2.352569406e+01 
1.72  1.836211385e+01 
1.74  1.423991407e+01 
1.76  1.092825448e+01 
1.78  8.257099014e+00 
1.80  6.096781291e+00 
1.82  4.347417357e+00 
1.84  2.930557718e+00 
1.86  1.783212546e+00 
1.88  8.554990756e-01 
1.90  1.070155263e-01 
1.92 -4.956955085e-01 
1.94 -9.805165237e-01 
1.96 -1.370651057e+00 
1.98 -1.686998217e+00 
2.00 -1.948284317e+00 
2.02 -2.169099463e+00 
2.04 -2.356204029e+00 
2.06 -2.514047590e+00 
2.08 -2.647606065e+00 
2.10 -2.761781309e+00 
2.12 -2.860453932e+00 
2.14 -2.946221956e+00 
2.16 -3.020524353e+00 
2.18 -3.084632903e+00 
2.20 -3.139786355e+00 
2.22 -3.186999567e+00 
2.24 -3.227221197e+00 
2.26 -3.261457336e+00 
2.28 -3.290839503e+00 
2.30 -3.316559253e+00 
2.32 -3.339409074e+00 
2.34 -3.359363324e+00 
2.36 -3.376400311e+00 
2.38 -3.390540787e+00 
2.40 -3.401720910e+00 
2.42 -3.409859335e+00 
2.44 -3.414948430e+00 
2.46 -3.416945520e+00 
2.48 -3.415726640e+00 
2.50 -3.410772379e+00 
2.52 -3.401355960e+00 
2.54 -3.386752471e+00 
2.56 -3.366344488e+00 
2.58 -3.340233264e+00 
2.60 -3.308837585e+00 
2.62 -3.272507150e+00 
2.64 -3.231566507e+00 
2.66 -3.186445510e+00 
2.68 -3.137679032e+00 
2.70 -3.085884281e+00 
2.72 -3.031733941e+00 
2.74 -2.975835050e+00 
2.76 -2.918655152e+00 
2.78 -2.860612187e+00 
2.80 -2.802225897e+00 
2.82 -2.744034529e+00 
2.84 -2.686433446e+00 
2.86 -2.629763559e+00 
2.88 -2.574267917e+00 
2.90 -2.520113147e+00 
2.92 -2.467360742e+00 
2.94 -2.416038040e+00 
2.96 -2.366199496e+00 
2.98 -2.317847044e+00 
3.00 -2.270833519e+00 
3.02 -2.224988082e+00 
3.04 -2.180148494e+00 
3.06 -2.136158061e+00 
3.08 -2.092854786e+00 
3.10 -2.050058915e+00 
3.12 -2.007583454e+00 
3.14 -1.965236565e+00 
3.16 -1.922819767e+00 
3.18 -1.880163395e+00 
3.20 -1.837200674e+00 
3.22 -1.793877579e+00 
3.24 -1.750166072e+00 
3.26 -1.706143660e+00 
3.28 -1.661983814e+00 
3.30 -1.617994943e+00 
3.32 -1.574602923e+00 
3.34 -1.532202154e+00 
3.36 -1.490978244e+00 
3.38 -1.450892808e+00 
3.40 -1.411822618e+00 
3.42 -1.373693065e+00 
3.44 -1.336520728e+00 
3.46 -1.300332972e+00 
3.48 -1.265114949e+00 
3.50 -1.230849365e+00 
3.52 -1.197518791e+00 
3.54 -1.165105659e+00 
3.56 -1.133592283e+00 
3.58 -1.102960861e+00 
3.60 -1.073193486e+00 
3.62 -1.044272166e+00 
3.64 -1.016178848e+00 
3.66 -9.888953487e-01 
3.68 -9.623975296e-01 
3.70 -9.366471249e-01 
3.72 -9.116038490e-01 
3.74 -8.872270866e-01 
3.76 -8.634764109e-01 
3.78 -8.403114432e-01 
3.80 -8.176913272e-01 
3.82 -7.955759620e-01 
3.84 -7.739242123e-01 
3.86 -7.526961964e-01 
3.88 -7.318505005e-01 
3.90 -7.113474447e-01 
3.92 -6.911458974e-01 
3.94 -6.712261555e-01 
3.96 -6.516049907e-01 
3.98 -6.323000516e-01 
4.00 -6.133310196e-01 
4.02 -5.947160733e-01 
4.04 -5.764713337e-01 
4.06 -5.586166529e-01 
4.08 -5.411717322e-01 
4.10 -5.241501592e-01 
4.12 -5.075715206e-01 
4.14 -4.914576771e-01 
4.16 -4.758256890e-01 
4.18 -4.606865713e-01 
4.20 -4.460612485e-01 
4.22 -4.319709939e-01 
4.24 -4.184377296e-01 
4.26 -4.054675845e-01 
4.28 -3.930707573e-01 
4.30 -3.812738552e-01 
4.32 -3.701027964e-01 
4.34 -3.595838627e-01 
4.36 -3.497420899e-01 
4.38 -3.404823426e-01 
4.40 -3.317233387e-01 
4.42 -3.235655532e-01 
4.44 -3.160455543e-01 
4.46 -3.091737002e-01 
4.48 -3.029411033e-01 
4.50 -2.973230291e-01 
4.52 -2.922696945e-01 
4.54 -2.877915833e-01 
4.56 -2.839198290e-01 
4.58 -2.802905068e-01 
4.60 -2.765695002e-01 
4.62 -2.724751234e-01 
4.64 -2.678128380e-01 
4.66 -2.625306008e-01 
4.68 -2.567650846e-01 
4.70 -2.508346998e-01 
4.72 -2.451333217e-01 
4.74 -2.398944366e-01 
4.76 -2.351349701e-01 
4.78 -2.307065014e-01 
4.80 -2.264533749e-01 
4.82 -2.221901053e-01 
4.84 -2.177715526e-01 
4.86 -2.131218732e-01 
4.88 -2.082181441e-01 
4.90 -2.030653433e-01 
4.92 -1.976919556e-01 
4.94 -1.921240437e-01 
4.96 -1.863837727e-01 
4.98 -1.804895167e-01 
5.00 -1.744545270e-01 
5.02 -1.682801900e-01 
5.04 -1.619843836e-01 
5.06 -1.555831636e-01 
5.08 -1.490855202e-01 
5.10 -1.424934529e-01 
5.12 -1.358018759e-01 
5.14 -1.289983970e-01 
5.16 -1.220630562e-01 
5.18 -1.149681905e-01 
5.20 -1.076787242e-01 
5.22 -1.001534015e-01 
5.24 -9.234779525e-02 
5.26 -8.422031973e-02 
5.28 -7.574282788e-02 
5.30 -6.691729327e-02 
5.32 -5.779882845e-02 
5.34 -4.852183114e-02 
5.36 -3.931969253e-02 
5.38 -3.051690504e-02 
5.40 -2.248955569e-02 
5.42 -1.559281042e-02 
5.44 -1.006849461e-02 
5.46 -5.981040930e-03 
5.48 -3.213546265e-03 
5.50 -1.520411004e-03 
5.52 -6.044561198e-04 
5.54 -1.843097555e-04 
5.56 -3.494018967e-05 
5.58 -2.091819043e-06 
5.60 -1.190016154e-11 
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