# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Mendelev-M-I--Ni-Al
# implementation = 2022--Mendelev-M-I--Ni-Al--LAMMPS--ipr1
# composition = AlNi2
# 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 2022-10-04

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  4.294103571e+05 
1.00  3.944341851e+05 
1.02  3.621610140e+05 
1.04  3.323355215e+05 
1.06  3.047309184e+05 
1.08  2.791449968e+05 
1.10  2.553971042e+05 
1.12  2.333259463e+05 
1.14  2.127870826e+05 
1.16  1.936508552e+05 
1.18  1.758005876e+05 
1.20  1.591310597e+05 
1.22  1.435472797e+05 
1.24  1.289631963e+05 
1.26  1.153007956e+05 
1.28  1.024892141e+05 
1.30  9.046384591e+04 
1.32  7.916567912e+04 
1.34  6.854090204e+04 
1.36  5.854042941e+04 
1.38  4.911940253e+04 
1.40  4.040932280e+04 
1.42  3.286688953e+04 
1.44  2.629020996e+04 
1.46  2.048094824e+04 
1.48  1.532263159e+04 
1.50  1.128349141e+04 
1.52  8.291884728e+03 
1.54  6.078829140e+03 
1.56  4.444173927e+03 
1.58  3.238927381e+03 
1.60  2.352179735e+03 
1.62  1.701388088e+03 
1.64  1.225140486e+03 
1.66  8.777694906e+02 
1.68  6.253406998e+02 
1.70  4.426675467e+02 
1.72  3.110912316e+02 
1.74  2.168235516e+02 
1.76  1.497101138e+02 
1.78  1.022568603e+02 
1.80  6.896135507e+01 
1.82  4.580071897e+01 
1.84  2.984422800e+01 
1.86  1.896496425e+01 
1.88  1.162620430e+01 
1.90  6.724311874e+00 
1.92  3.475320531e+00 
1.94  1.330368864e+00 
1.96 -9.110546315e-02 
1.98 -1.048452838e+00 
2.00 -1.714270500e+00 
2.02 -2.199790095e+00 
2.04 -2.572835049e+00 
2.06 -2.871763394e+00 
2.08 -3.117580901e+00 
2.10 -3.321811127e+00 
2.12 -3.491589116e+00 
2.14 -3.632768144e+00 
2.16 -3.750999638e+00 
2.18 -3.850965462e+00 
2.20 -3.935747651e+00 
2.22 -4.008492871e+00 
2.24 -4.071764334e+00 
2.26 -4.127019845e+00 
2.28 -4.174499209e+00 
2.30 -4.212281312e+00 
2.32 -4.238303252e+00 
2.34 -4.254881307e+00 
2.36 -4.266033051e+00 
2.38 -4.273477495e+00 
2.40 -4.276796658e+00 
2.42 -4.274091004e+00 
2.44 -4.262964104e+00 
2.46 -4.241528583e+00 
2.48 -4.208950359e+00 
2.50 -4.165547683e+00 
2.52 -4.112723632e+00 
2.54 -4.052751684e+00 
2.56 -3.988461292e+00 
2.58 -3.922747931e+00 
2.60 -3.857865655e+00 
2.62 -3.795207793e+00 
2.64 -3.735681428e+00 
2.66 -3.679566366e+00 
2.68 -3.626279971e+00 
2.70 -3.574652496e+00 
2.72 -3.523640541e+00 
2.74 -3.472497718e+00 
2.76 -3.420796893e+00 
2.78 -3.368410788e+00 
2.80 -3.315463658e+00 
2.82 -3.262262426e+00 
2.84 -3.209217524e+00 
2.86 -3.156770545e+00 
2.88 -3.105326972e+00 
2.90 -3.055199247e+00 
2.92 -3.006572533e+00 
2.94 -2.959501657e+00 
2.96 -2.913951675e+00 
2.98 -2.869914386e+00 
3.00 -2.827548437e+00 
3.02 -2.787301586e+00 
3.04 -2.749708503e+00 
3.06 -2.715075094e+00 
3.08 -2.683448345e+00 
3.10 -2.654632123e+00 
3.12 -2.628217004e+00 
3.14 -2.603622121e+00 
3.16 -2.580146695e+00 
3.18 -2.557028463e+00 
3.20 -2.533505858e+00 
3.22 -2.508880380e+00 
3.24 -2.482575229e+00 
3.26 -2.454185842e+00 
3.28 -2.423517597e+00 
3.30 -2.390605274e+00 
3.32 -2.355708857e+00 
3.34 -2.319280348e+00 
3.36 -2.281894959e+00 
3.38 -2.244139902e+00 
3.40 -2.206453830e+00 
3.42 -2.168979062e+00 
3.44 -2.131719217e+00 
3.46 -2.094680168e+00 
3.48 -2.057873440e+00 
3.50 -2.021313085e+00 
3.52 -1.985012367e+00 
3.54 -1.948980556e+00 
3.56 -1.913220214e+00 
3.58 -1.877725380e+00 
3.60 -1.842481121e+00 
3.62 -1.807464951e+00 
3.64 -1.772650680e+00 
3.66 -1.738015289e+00 
3.68 -1.703549475e+00 
3.70 -1.669267745e+00 
3.72 -1.635198436e+00 
3.74 -1.601374533e+00 
3.76 -1.567832982e+00 
3.78 -1.534614265e+00 
3.80 -1.501761869e+00 
3.82 -1.469321621e+00 
3.84 -1.437340885e+00 
3.86 -1.405867597e+00 
3.88 -1.374949125e+00 
3.90 -1.344630922e+00 
3.92 -1.314954967e+00 
3.94 -1.285957953e+00 
3.96 -1.257669202e+00 
3.98 -1.230108292e+00 
4.00 -1.203282695e+00 
4.02 -1.177189221e+00 
4.04 -1.151817149e+00 
4.06 -1.127148486e+00 
4.08 -1.103157959e+00 
4.10 -1.079813136e+00 
4.12 -1.057074654e+00 
4.14 -1.034896581e+00 
4.16 -1.013226923e+00 
4.18 -9.920096262e-01 
4.20 -9.711943605e-01 
4.22 -9.507412101e-01 
4.24 -9.306181663e-01 
4.26 -9.107986781e-01 
4.28 -8.912596506e-01 
4.30 -8.719798529e-01 
4.32 -8.529387180e-01 
4.34 -8.341154435e-01 
4.36 -8.154884379e-01 
4.38 -7.970349970e-01 
4.40 -7.787312222e-01 
4.42 -7.605521574e-01 
4.44 -7.424720773e-01 
4.46 -7.244649180e-01 
4.48 -7.065048230e-01 
4.50 -6.885667759e-01 
4.52 -6.706272895e-01 
4.54 -6.526651258e-01 
4.56 -6.346620330e-01 
4.58 -6.166034482e-01 
4.60 -5.984791993e-01 
4.62 -5.802841734e-01 
4.64 -5.620188776e-01 
4.66 -5.436897455e-01 
4.68 -5.253097426e-01 
4.70 -5.068986672e-01 
4.72 -4.884826492e-01 
4.74 -4.700953111e-01 
4.76 -4.517759721e-01 
4.78 -4.335711754e-01 
4.80 -4.155319363e-01 
4.82 -3.977159406e-01 
4.84 -3.801825230e-01 
4.86 -3.629972384e-01 
4.88 -3.462235318e-01 
4.90 -3.299275194e-01 
4.92 -3.141757210e-01 
4.94 -2.990235196e-01 
4.96 -2.845287758e-01 
4.98 -2.707438867e-01 
5.00 -2.576937758e-01 
5.02 -2.454040123e-01 
5.04 -2.338929402e-01 
5.06 -2.231572838e-01 
5.08 -2.130216513e-01 
5.10 -2.034800869e-01 
5.12 -1.945892319e-01 
5.14 -1.863465120e-01 
5.16 -1.787253039e-01 
5.18 -1.717550163e-01 
5.20 -1.652890037e-01 
5.22 -1.589162978e-01 
5.24 -1.523386260e-01 
5.26 -1.452653838e-01 
5.28 -1.376479378e-01 
5.30 -1.295286483e-01 
5.32 -1.209644628e-01 
5.34 -1.120390132e-01 
5.36 -1.028073598e-01 
5.38 -9.322739952e-02 
5.40 -8.330289568e-02 
5.42 -7.307691207e-02 
5.44 -6.261956389e-02 
5.46 -5.201832851e-02 
5.48 -4.135696536e-02 
5.50 -3.076353825e-02 
5.52 -2.044379219e-02 
5.54 -1.055243471e-02 
5.56 -1.200101852e-03 
5.58  7.535973044e-03 
5.60  1.560372246e-02 
5.62  2.296996824e-02 
5.64  2.961571096e-02 
5.66  3.553265685e-02 
5.68  4.072071063e-02 
5.70  4.518621054e-02 
5.72  4.894072295e-02 
5.74  5.200024827e-02 
5.76  5.438471883e-02 
5.78  5.611769381e-02 
5.80  5.722617658e-02 
5.82  5.774049635e-02 
5.84  5.769421016e-02 
5.86  5.712399243e-02 
5.88  5.606948877e-02 
5.90  5.457311807e-02 
5.92  5.267981318e-02 
5.94  5.043669542e-02 
5.96  4.789268201e-02 
5.98  4.509802875e-02 
6.00  4.210381287e-02