# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co
# implementation = 2015--Purja-Pun-G-P--Ni-Al-Co--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 2022-05-24

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  6.136715387e+04 
1.00  5.602926067e+04 
1.02  5.091174470e+04 
1.04  4.615836714e+04 
1.06  4.175086918e+04 
1.08  3.767235941e+04 
1.10  3.390630091e+04 
1.12  3.043645642e+04 
1.14  2.724682742e+04 
1.16  2.432179502e+04 
1.18  2.164626587e+04 
1.20  1.920464370e+04 
1.22  1.697226701e+04 
1.24  1.493620825e+04 
1.26  1.308669815e+04 
1.28  1.141347030e+04 
1.30  9.906050960e+03 
1.32  8.553883229e+03 
1.34  7.346500773e+03 
1.36  6.273644899e+03 
1.38  5.325250858e+03 
1.40  4.491465184e+03 
1.42  3.762721058e+03 
1.44  3.129714978e+03 
1.46  2.583398641e+03 
1.48  2.115171049e+03 
1.50  1.716897751e+03 
1.52  1.380910214e+03 
1.54  1.100007901e+03 
1.56  8.674530792e+02 
1.58  6.769597098e+02 
1.60  5.226937960e+02 
1.62  3.992899243e+02 
1.64  3.018560152e+02 
1.66  2.259626715e+02 
1.68  1.676376221e+02 
1.70  1.233688471e+02 
1.72  9.010749932e+01 
1.74  6.526689534e+01 
1.76  4.671974025e+01 
1.78  3.279530661e+01 
1.80  2.227898653e+01 
1.82  1.439905434e+01 
1.84  8.644482966e+00 
1.86  4.577036402e+00 
1.88  1.811010600e+00 
1.90  1.106504650e-02 
1.92 -1.107874874e+00 
1.94 -1.779496428e+00 
1.96 -2.186017803e+00 
1.98 -2.458392349e+00 
2.00 -2.676243134e+00 
2.02 -2.870498132e+00 
2.04 -3.046848251e+00 
2.06 -3.207663886e+00 
2.08 -3.353843108e+00 
2.10 -3.484064858e+00 
2.12 -3.597238156e+00 
2.14 -3.694847237e+00 
2.16 -3.780157195e+00 
2.18 -3.856026913e+00 
2.20 -3.923427661e+00 
2.22 -3.981714932e+00 
2.24 -4.030181295e+00 
2.26 -4.068853340e+00 
2.28 -4.098413818e+00 
2.30 -4.119541971e+00 
2.32 -4.132811178e+00 
2.34 -4.138780538e+00 
2.36 -4.138008287e+00 
2.38 -4.131052958e+00 
2.40 -4.118451441e+00 
2.42 -4.100731838e+00 
2.44 -4.078420000e+00 
2.46 -4.052039327e+00 
2.48 -4.022092402e+00 
2.50 -3.988947511e+00 
2.52 -3.952925663e+00 
2.54 -3.914331825e+00 
2.56 -3.873467434e+00 
2.58 -3.830646343e+00 
2.60 -3.786201914e+00 
2.62 -3.740463119e+00 
2.64 -3.693706062e+00 
2.66 -3.646106989e+00 
2.68 -3.597692567e+00 
2.70 -3.548309045e+00 
2.72 -3.497631907e+00 
2.74 -3.445256626e+00 
2.76 -3.390914441e+00 
2.78 -3.334769110e+00 
2.80 -3.277642509e+00 
2.82 -3.220913594e+00 
2.84 -3.166012177e+00 
2.86 -3.113796940e+00 
2.88 -3.064305862e+00 
2.90 -3.016995457e+00 
2.92 -2.971125679e+00 
2.94 -2.926039244e+00 
2.96 -2.881267893e+00 
2.98 -2.836571304e+00 
3.00 -2.791844648e+00 
3.02 -2.747004976e+00 
3.04 -2.701990109e+00 
3.06 -2.656764026e+00 
3.08 -2.611312313e+00 
3.10 -2.565631769e+00 
3.12 -2.519710414e+00 
3.14 -2.473518169e+00 
3.16 -2.427007887e+00 
3.18 -2.380125068e+00 
3.20 -2.332819893e+00 
3.22 -2.285032172e+00 
3.24 -2.236715675e+00 
3.26 -2.187855723e+00 
3.28 -2.138468754e+00 
3.30 -2.088597307e+00 
3.32 -2.038297377e+00 
3.34 -1.987624209e+00 
3.36 -1.936644939e+00 
3.38 -1.885441356e+00 
3.40 -1.834109343e+00 
3.42 -1.782758117e+00 
3.44 -1.731509300e+00 
3.46 -1.680495981e+00 
3.48 -1.629861601e+00 
3.50 -1.579758623e+00 
3.52 -1.530334055e+00 
3.54 -1.481685494e+00 
3.56 -1.433898746e+00 
3.58 -1.387060694e+00 
3.60 -1.341259081e+00 
3.62 -1.296584321e+00 
3.64 -1.253115838e+00 
3.66 -1.210914953e+00 
3.68 -1.170019788e+00 
3.70 -1.130444447e+00 
3.72 -1.092182971e+00 
3.74 -1.055216066e+00 
3.76 -1.019518088e+00 
3.78 -9.850624344e-01 
3.80 -9.518246885e-01 
3.82 -9.197836725e-01 
3.84 -8.889206116e-01 
3.86 -8.592157382e-01 
3.88 -8.306512202e-01 
3.90 -8.032108863e-01 
3.92 -7.768762589e-01 
3.94 -7.516264386e-01 
3.96 -7.274381555e-01 
3.98 -7.042858062e-01 
4.00 -6.821414740e-01 
4.02 -6.609749459e-01 
4.04 -6.407537283e-01 
4.06 -6.214430408e-01 
4.08 -6.030058463e-01 
4.10 -5.854028623e-01 
4.12 -5.685925800e-01 
4.14 -5.525313199e-01 
4.16 -5.371732824e-01 
4.18 -5.224706142e-01 
4.20 -5.083735106e-01 
4.22 -4.948303215e-01 
4.24 -4.817894019e-01 
4.26 -4.692038351e-01 
4.28 -4.570312700e-01 
4.30 -4.452454446e-01 
4.32 -4.338247401e-01 
4.34 -4.227485163e-01 
4.36 -4.119974281e-01 
4.38 -4.015536646e-01 
4.40 -3.914013043e-01 
4.42 -3.815266394e-01 
4.44 -3.719184217e-01 
4.46 -3.625686563e-01 
4.48 -3.534719933e-01 
4.50 -3.446262180e-01 
4.52 -3.360310723e-01 
4.54 -3.276866174e-01 
4.56 -3.195932127e-01 
4.58 -3.117511656e-01 
4.60 -3.041607508e-01 
4.62 -2.968223423e-01 
4.64 -2.897362441e-01 
4.66 -2.829032960e-01 
4.68 -2.763250832e-01 
4.70 -2.700035254e-01 
4.72 -2.639403682e-01 
4.74 -2.581308355e-01 
4.76 -2.525661767e-01 
4.78 -2.472374493e-01 
4.80 -2.421355356e-01 
4.82 -2.372510310e-01 
4.84 -2.325743363e-01 
4.86 -2.280956207e-01 
4.88 -2.238047455e-01 
4.90 -2.196911888e-01 
4.92 -2.157439499e-01 
4.94 -2.119514241e-01 
4.96 -2.083012440e-01 
4.98 -2.047800561e-01 
5.00 -2.013731916e-01 
5.02 -1.980663185e-01 
5.04 -1.948505248e-01 
5.06 -1.917166432e-01 
5.08 -1.886530261e-01 
5.10 -1.856450932e-01 
5.12 -1.826749163e-01 
5.14 -1.797209271e-01 
5.16 -1.767578581e-01 
5.18 -1.737568704e-01 
5.20 -1.706867121e-01 
5.22 -1.675153481e-01 
5.24 -1.642125389e-01 
5.26 -1.607534677e-01 
5.28 -1.571230108e-01 
5.30 -1.533200095e-01 
5.32 -1.493605397e-01 
5.34 -1.452786473e-01 
5.36 -1.411241544e-01 
5.38 -1.369581045e-01 
5.40 -1.328439388e-01 
5.42 -1.288381514e-01 
5.44 -1.249821197e-01 
5.46 -1.212969784e-01 
5.48 -1.177821463e-01 
5.50 -1.144149430e-01 
5.52 -1.111604674e-01 
5.54 -1.079763800e-01 
5.56 -1.048175994e-01 
5.58 -1.016407967e-01 
5.60 -9.840760627e-02 
5.62 -9.509097057e-02 
5.64 -9.166452378e-02 
5.66 -8.809363815e-02 
5.68 -8.435149605e-02 
5.70 -8.041877678e-02 
5.72 -7.628155453e-02 
5.74 -7.193945098e-02 
5.76 -6.743222594e-02 
5.78 -6.281830473e-02 
5.80 -5.816495429e-02 
5.82 -5.354618870e-02 
5.84 -4.903911871e-02 
5.86 -4.465726361e-02 
5.88 -4.046209972e-02 
5.90 -3.655694697e-02 
5.92 -3.301995969e-02 
5.94 -2.990151379e-02 
5.96 -2.722448733e-02 
5.98 -2.498704640e-02 
6.00 -2.316716357e-02