# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2012--Schopf-D-Brommer-P-Frigan-B-Trebin-H-R--Al-Mn-Pd
# implementation = 2012--Schopf-D--Al-Mn-Pd--LAMMPS--ipr1
# composition = AlMn2
# 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 2022-05-24

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  nan             
0.98  nan             
1.00  nan             
1.02  nan             
1.04 -5.875581311e+06 
1.06 -2.985037770e+06 
1.08 -1.286541510e+06 
1.10 -4.176738550e+05 
1.12 -7.493755763e+04 
1.14 -1.938153569e+03 
1.16 -5.791821113e+02 
1.18 -5.148474185e+02 
1.20 -4.551445750e+02 
1.22 -3.998647390e+02 
1.24 -3.488910855e+02 
1.26 -3.020836906e+02 
1.28 -2.593055558e+02 
1.30 -2.203892425e+02 
1.32 -1.851473778e+02 
1.34 -1.534552886e+02 
1.36 -1.251494127e+02 
1.38 -1.000464365e+02 
1.40 -7.795180731e+01 
1.42 -5.867555111e+01 
1.44 -4.202675940e+01 
1.46 -2.780572706e+01 
1.48 -1.581266176e+01 
1.50 -5.860509023e+00 
1.52  2.227678965e+00 
1.54  8.638324828e+00 
1.56  1.356552636e+01 
1.58  1.717149281e+01 
1.60  1.959824976e+01 
1.62  2.097909068e+01 
1.64  2.144541814e+01 
1.66  2.080988156e+01 
1.68  1.914408318e+01 
1.70  1.712533394e+01 
1.72  1.488497093e+01 
1.74  1.255374929e+01 
1.76  1.026200874e+01 
1.78  8.147133359e+00 
1.80  6.264382203e+00 
1.82  4.567346736e+00 
1.84  3.043814532e+00 
1.86  1.681880110e+00 
1.88  4.716149883e-01 
1.90 -5.959486555e-01 
1.92 -1.530511983e+00 
1.94 -2.344460519e+00 
1.96 -3.052641690e+00 
1.98 -3.668925146e+00 
2.00 -4.203107712e+00 
2.02 -4.661492237e+00 
2.04 -5.049409009e+00 
2.06 -5.372873068e+00 
2.08 -5.638568462e+00 
2.10 -5.852914322e+00 
2.12 -6.021678486e+00 
2.14 -6.150022587e+00 
2.16 -6.242671673e+00 
2.18 -6.304417847e+00 
2.20 -6.340725009e+00 
2.22 -6.357804829e+00 
2.24 -6.361652947e+00 
2.26 -6.356585525e+00 
2.28 -6.344696056e+00 
2.30 -6.326509368e+00 
2.32 -6.302000329e+00 
2.34 -6.271224423e+00 
2.36 -6.234462179e+00 
2.38 -6.191941215e+00 
2.40 -6.143736508e+00 
2.42 -6.089815855e+00 
2.44 -6.030067047e+00 
2.46 -5.964327408e+00 
2.48 -5.892383796e+00 
2.50 -5.813994079e+00 
2.52 -5.728899435e+00 
2.54 -5.636851887e+00 
2.56 -5.537684093e+00 
2.58 -5.431447301e+00 
2.60 -5.318597724e+00 
2.62 -5.200177694e+00 
2.64 -5.077796358e+00 
2.66 -4.953302658e+00 
2.68 -4.828267970e+00 
2.70 -4.703633426e+00 
2.72 -4.579711130e+00 
2.74 -4.456456249e+00 
2.76 -4.333757404e+00 
2.78 -4.211600197e+00 
2.80 -4.090113834e+00 
2.82 -3.969466197e+00 
2.84 -3.849757014e+00 
2.86 -3.730998806e+00 
2.88 -3.613108388e+00 
2.90 -3.495897332e+00 
2.92 -3.379058486e+00 
2.94 -3.262141231e+00 
2.96 -3.144511752e+00 
2.98 -3.025287113e+00 
3.00 -2.903203533e+00 
3.02 -2.776359710e+00 
3.04 -2.641678116e+00 
3.06 -2.493590609e+00 
3.08 -2.315592732e+00 
3.10 -1.997105016e+00 
3.12 -1.562601189e+00 
3.14 -3.051444975e+00 
3.16 -8.127380711e+00 
3.18 -1.746989356e+01 
3.20 -3.105891416e+01 
3.22 -4.841076479e+01 
3.24 -6.876450010e+01 
3.26 -9.122300501e+01 
3.28 -1.148558228e+02 
3.30 -1.387705844e+02 
3.32 -1.621584837e+02 
3.34 -1.843210932e+02 
3.36 -2.046816630e+02 
3.38 -2.227879578e+02 
3.40 -2.383068803e+02 
3.42 -2.510145222e+02 
3.44 -2.607868196e+02 
3.46 -2.675848170e+02 
3.48 -2.714443678e+02 
3.50 -2.724626669e+02 
3.52 -2.707878268e+02 
3.54 -2.666088346e+02 
3.56 -2.601464706e+02 
3.58 -2.516456310e+02 
3.60 -2.413680333e+02 
3.62 -2.295862124e+02 
3.64 -2.165768963e+02 
3.66 -2.026168552e+02 
3.68 -1.879769770e+02 
3.70 -1.729185318e+02 
3.72 -1.576875781e+02 
3.74 -1.425123623e+02 
3.76 -1.276005859e+02 
3.78 -1.131371493e+02 
3.80 -9.928260204e+01 
3.82 -8.617283365e+01 
3.84 -7.391832001e+01 
3.86 -6.260456092e+01 
3.88 -5.229241757e+01 
3.90 -4.301925436e+01 
3.92 -3.480004609e+01 
3.94 -2.762894110e+01 
3.96 -2.148103597e+01 
3.98 -1.631445772e+01 
4.00 -1.207216614e+01 
4.02 -8.684493951e+00 
4.04 -6.071190320e+00 
4.06 -4.143788640e+00 
4.08 -2.807878204e+00 
4.10 -1.965315145e+00 
4.12 -1.516345114e+00 
4.14 -1.361611330e+00 
4.16 -1.404010383e+00 
4.18 -1.550377989e+00 
4.20 -1.714482957e+00 
4.22 -1.848184245e+00 
4.24 -1.928190952e+00 
4.26 -1.963074401e+00 
4.28 -1.980887197e+00 
4.30 -1.999118841e+00 
4.32 -2.016036134e+00 
4.34 -2.027491071e+00 
4.36 -2.032717219e+00 
4.38 -2.033335038e+00 
4.40 -2.030749291e+00 
4.42 -2.025430793e+00 
4.44 -2.017374729e+00 
4.46 -2.006635608e+00 
4.48 -1.993374785e+00 
4.50 -1.977831519e+00 
4.52 -1.960224550e+00 
4.54 -1.940749202e+00 
4.56 -1.919557393e+00 
4.58 -1.896792472e+00 
4.60 -1.872592867e+00 
4.62 -1.847096008e+00 
4.64 -1.820437091e+00 
4.66 -1.792745691e+00 
4.68 -1.764149980e+00 
4.70 -1.734772586e+00 
4.72 -1.704731826e+00 
4.74 -1.674141633e+00 
4.76 -1.643110200e+00 
4.78 -1.611741745e+00 
4.80 -1.580134020e+00 
4.82 -1.548381704e+00 
4.84 -1.516572648e+00 
4.86 -1.484789315e+00 
4.88 -1.453107205e+00 
4.90 -1.421594235e+00 
4.92 -1.390313446e+00 
4.94 -1.359319648e+00 
4.96 -1.328664525e+00 
4.98 -1.298395820e+00 
5.00 -1.268558493e+00 
5.02 -1.239190095e+00 
5.04 -1.210320859e+00 
5.06 -1.181973823e+00 
5.08 -1.154163549e+00 
5.10 -1.126892079e+00 
5.12 -1.100159317e+00 
5.14 -1.073961031e+00 
5.16 -1.048294120e+00 
5.18 -1.023147189e+00 
5.20 -9.985122938e-01 
5.22 -9.743955693e-01 
5.24 -9.508000084e-01 
5.26 -9.277236433e-01 
5.28 -9.051650519e-01 
5.30 -8.831124279e-01 
5.32 -8.615362421e-01 
5.34 -8.404080580e-01 
5.36 -8.196989804e-01 
5.38 -7.993723110e-01 
5.40 -7.794151227e-01 
5.42 -7.598381155e-01 
5.44 -7.406653273e-01 
5.46 -7.219285468e-01 
5.48 -7.036643084e-01 
5.50 -6.858235314e-01 
5.52 -6.682993430e-01 
5.54 -6.508976719e-01 
5.56 -6.334525222e-01 
5.58 -6.158484717e-01 
5.60 -5.980070159e-01 
5.62 -5.800548810e-01 
5.64 -5.624194700e-01 
5.66 -5.454360868e-01 
5.68 -5.294137336e-01 
5.70 -5.145815259e-01 
5.72 -5.013225631e-01 
5.74 -4.892116565e-01 
5.76 -4.775339565e-01 
5.78 -4.657270216e-01 
5.80 -4.530872322e-01 
5.82 -4.392053094e-01 
5.84 -4.238168561e-01 
5.86 -4.066696760e-01 
5.88 -3.878849053e-01 
5.90 -3.677911063e-01 
5.92 -3.466866967e-01 
5.94 -3.248750340e-01 
5.96 -3.028288054e-01 
5.98 -2.810342774e-01 
6.00 -2.598627375e-01