# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2012--Mendelev-M-I-Kramer-M-J-Hao-S-G-et-al--Ni-Zr
# implementation = 2012--Mendelev-M-I--Ni-Zr--LAMMPS--ipr1
# composition = NiZr2
# 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  nan             
1.06  nan             
1.08  nan             
1.10  3.359127121e+04 
1.12  3.076181245e+04 
1.14  2.813030355e+04 
1.16  2.568063655e+04 
1.18  2.339768134e+04 
1.20  2.126718420e+04 
1.22  1.927589143e+04 
1.24  1.741156678e+04 
1.26  1.566329454e+04 
1.28  1.402189893e+04 
1.30  1.247959225e+04 
1.32  1.102914779e+04 
1.34  9.663895703e+03 
1.36  8.377890117e+03 
1.38  7.166057671e+03 
1.40  6.029800304e+03 
1.42  5.058064767e+03 
1.44  4.253727642e+03 
1.46  3.585686053e+03 
1.48  3.028871682e+03 
1.50  2.563092902e+03 
1.52  2.171998536e+03 
1.54  1.842273659e+03 
1.56  1.563077856e+03 
1.58  1.325597272e+03 
1.60  1.122675034e+03 
1.62  9.485095445e+02 
1.64  7.984346406e+02 
1.66  6.712821151e+02 
1.68  5.648940960e+02 
1.70  4.757833383e+02 
1.72  4.010525163e+02 
1.74  3.382906460e+02 
1.76  2.854948642e+02 
1.78  2.410054249e+02 
1.80  2.034506763e+02 
1.82  1.717006278e+02 
1.84  1.448263095e+02 
1.86  1.220621280e+02 
1.88  1.027701474e+02 
1.90  8.641576241e+01 
1.92  7.254703555e+01 
1.94  6.078144984e+01 
1.96  5.079558180e+01 
1.98  4.231602085e+01 
2.00  3.511572428e+01 
2.02  2.902962853e+01 
2.04  2.388210220e+01 
2.06  1.951806779e+01 
2.08  1.580748630e+01 
2.10  1.264284234e+01 
2.12  9.936566235e+00 
2.14  7.617697159e+00 
2.16  5.628714995e+00 
2.18  3.923214175e+00 
2.20  2.464789151e+00 
2.22  1.223797006e+00 
2.24  1.724723856e-01 
2.26 -7.165469820e-01 
2.28 -1.468555704e+00 
2.30 -2.106219303e+00 
2.32 -2.649355109e+00 
2.34 -3.114674525e+00 
2.36 -3.516101440e+00 
2.38 -3.865517724e+00 
2.40 -4.172785415e+00 
2.42 -4.445683184e+00 
2.44 -4.689920690e+00 
2.46 -4.909247735e+00 
2.48 -5.105681643e+00 
2.50 -5.279890067e+00 
2.52 -5.431758860e+00 
2.54 -5.561179001e+00 
2.56 -5.668776146e+00 
2.58 -5.755457640e+00 
2.60 -5.822039171e+00 
2.62 -5.869314440e+00 
2.64 -5.898225462e+00 
2.66 -5.909985382e+00 
2.68 -5.906103964e+00 
2.70 -5.888780114e+00 
2.72 -5.861289957e+00 
2.74 -5.826897217e+00 
2.76 -5.788093120e+00 
2.78 -5.746917836e+00 
2.80 -5.705114738e+00 
2.82 -5.664052137e+00 
2.84 -5.624615758e+00 
2.86 -5.587155457e+00 
2.88 -5.551366082e+00 
2.90 -5.516308151e+00 
2.92 -5.481096361e+00 
2.94 -5.445091362e+00 
2.96 -5.407752457e+00 
2.98 -5.368606819e+00 
3.00 -5.327309153e+00 
3.02 -5.283754890e+00 
3.04 -5.238336662e+00 
3.06 -5.191855801e+00 
3.08 -5.145100035e+00 
3.10 -5.098777178e+00 
3.12 -5.053661657e+00 
3.14 -5.010559559e+00 
3.16 -4.969758092e+00 
3.18 -4.930695729e+00 
3.20 -4.892503998e+00 
3.22 -4.854835839e+00 
3.24 -4.817836642e+00 
3.26 -4.781608726e+00 
3.28 -4.745964123e+00 
3.30 -4.710471824e+00 
3.32 -4.674514757e+00 
3.34 -4.637348777e+00 
3.36 -4.598211709e+00 
3.38 -4.556427787e+00 
3.40 -4.511432481e+00 
3.42 -4.462785396e+00 
3.44 -4.410180671e+00 
3.46 -4.353450141e+00 
3.48 -4.292548002e+00 
3.50 -4.227538635e+00 
3.52 -4.158592940e+00 
3.54 -4.085981652e+00 
3.56 -4.010064618e+00 
3.58 -3.931276251e+00 
3.60 -3.850107428e+00 
3.62 -3.767084212e+00 
3.64 -3.682743849e+00 
3.66 -3.597608579e+00 
3.68 -3.512157926e+00 
3.70 -3.426814217e+00 
3.72 -3.341985137e+00 
3.74 -3.258074114e+00 
3.76 -3.175456253e+00 
3.78 -3.094455843e+00 
3.80 -3.015327577e+00 
3.82 -2.938242513e+00 
3.84 -2.863280574e+00 
3.86 -2.790430047e+00 
3.88 -2.719594104e+00 
3.90 -2.650606009e+00 
3.92 -2.583254287e+00 
3.94 -2.517319106e+00 
3.96 -2.452621210e+00 
3.98 -2.389083727e+00 
4.00 -2.326744620e+00 
4.02 -2.265638678e+00 
4.04 -2.205775584e+00 
4.06 -2.147162258e+00 
4.08 -2.089804273e+00 
4.10 -2.033705237e+00 
4.12 -1.978866333e+00 
4.14 -1.925286031e+00 
4.16 -1.872959915e+00 
4.18 -1.821880633e+00 
4.20 -1.772037922e+00 
4.22 -1.723418709e+00 
4.24 -1.676007266e+00 
4.26 -1.629785394e+00 
4.28 -1.584732633e+00 
4.30 -1.540826470e+00 
4.32 -1.498042553e+00 
4.34 -1.456354882e+00 
4.36 -1.415735973e+00 
4.38 -1.376156999e+00 
4.40 -1.337587888e+00 
4.42 -1.299997377e+00 
4.44 -1.263353030e+00 
4.46 -1.227621210e+00 
4.48 -1.192767015e+00 
4.50 -1.158754169e+00 
4.52 -1.125544900e+00 
4.54 -1.093099787e+00 
4.56 -1.061377593e+00 
4.58 -1.030335137e+00 
4.60 -9.999271715e-01 
4.62 -9.701062714e-01 
4.64 -9.408228383e-01 
4.66 -9.120252417e-01 
4.68 -8.836601002e-01 
4.70 -8.556735224e-01 
4.72 -8.280123780e-01 
4.74 -8.006253756e-01 
4.76 -7.734643539e-01 
4.78 -7.464859726e-01 
4.80 -7.196534470e-01 
4.82 -6.929386517e-01 
4.84 -6.663245521e-01 
4.86 -6.398109080e-01 
4.88 -6.134117936e-01 
4.90 -5.871458066e-01 
4.92 -5.610451826e-01 
4.94 -5.351290998e-01 
4.96 -5.094498226e-01 
4.98 -4.840102469e-01 
5.00 -4.589082307e-01 
5.02 -4.338306740e-01 
5.04 -4.090686360e-01 
5.06 -3.855932404e-01 
5.08 -3.642223081e-01 
5.10 -3.439498690e-01 
5.12 -3.224492549e-01 
5.14 -2.988673609e-01 
5.16 -2.738417509e-01 
5.18 -2.480981937e-01 
5.20 -2.216097676e-01 
5.22 -1.946449300e-01 
5.24 -1.677861398e-01 
5.26 -1.420429278e-01 
5.28 -1.188805070e-01 
5.30 -9.900407401e-02 
5.32 -8.256478455e-02 
5.34 -6.940321224e-02 
5.36 -5.920492962e-02 
5.38 -5.159446321e-02 
5.40 -4.618768941e-02 
5.42 -4.261756149e-02 
5.44 -4.054382843e-02 
5.46 -3.965404777e-02 
5.48 -3.966061554e-02 
5.50 -4.029663304e-02 
5.52 -4.131366397e-02 
5.54 -4.249605784e-02 
5.56 -4.367617644e-02 
5.58 -4.473490338e-02 
5.60 -4.560141423e-02 
5.62 -4.625181325e-02 
5.64 -4.669083035e-02 
5.66 -4.693232792e-02 
5.68 -4.699614859e-02 
5.70 -4.690675716e-02 
5.72 -4.669201670e-02 
5.74 -4.638209158e-02 
5.76 -4.600847061e-02 
5.78 -4.560310342e-02 
5.80 -4.519764364e-02 
5.82 -4.482279223e-02 
5.84 -4.450773490e-02 
5.86 -4.427966739e-02 
5.88 -4.416340280e-02 
5.90 -4.418105510e-02 
5.92 -4.435179335e-02 
5.94 -4.469166115e-02 
5.96 -4.521345604e-02 
5.98 -4.592666395e-02 
6.00 -4.683744354e-02