# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2009--Mendelev-M-I-Kramer-M-J-Ott-R-T-et-al--Cu-Zr
# implementation = 2009--Mendelev-M-I--Cu-Zr--LAMMPS--ipr1
# composition = CuZr2
# 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  1.305989902e+04 
1.12  1.203789141e+04 
1.14  1.108857658e+04 
1.16  1.020551071e+04 
1.18  9.383038838e+03 
1.20  8.615932796e+03 
1.22  7.899456016e+03 
1.24  7.229342265e+03 
1.26  6.601758982e+03 
1.28  6.013266303e+03 
1.30  5.460776622e+03 
1.32  4.941516678e+03 
1.34  4.452977163e+03 
1.36  3.992894896e+03 
1.38  3.559217053e+03 
1.40  3.150065055e+03 
1.42  2.763759928e+03 
1.44  2.398860872e+03 
1.46  2.053902583e+03 
1.48  1.727701183e+03 
1.50  1.442847986e+03 
1.52  1.208536588e+03 
1.54  1.015294953e+03 
1.56  8.554773623e+02 
1.58  7.229110768e+02 
1.60  6.126125925e+02 
1.62  5.205562525e+02 
1.64  4.434825844e+02 
1.66  3.787408702e+02 
1.68  3.241687283e+02 
1.70  2.779979189e+02 
1.72  2.387805146e+02 
1.74  2.053281208e+02 
1.76  1.766642261e+02 
1.78  1.519843371e+02 
1.80  1.306251147e+02 
1.82  1.120414422e+02 
1.84  9.578791810e+01 
1.86  8.154383161e+01 
1.88  6.934585317e+01 
1.90  5.893519338e+01 
1.92  5.002001683e+01 
1.94  4.236025969e+01 
1.96  3.575815737e+01 
1.98  3.005038880e+01 
2.00  2.510606934e+01 
2.02  2.084785440e+01 
2.04  1.717784122e+01 
2.06  1.400513794e+01 
2.08  1.125425789e+01 
2.10  8.863642441e+00 
2.12  6.805846639e+00 
2.14  5.054101389e+00 
2.16  3.562986195e+00 
2.18  2.293706745e+00 
2.20  1.214259201e+00 
2.22  2.980729051e-01 
2.24 -4.785028449e-01 
2.26 -1.136939460e+00 
2.28 -1.696303297e+00 
2.30 -2.173182542e+00 
2.32 -2.581628781e+00 
2.34 -2.933058096e+00 
2.36 -3.236718938e+00 
2.38 -3.500571816e+00 
2.40 -3.731421917e+00 
2.42 -3.934928627e+00 
2.44 -4.115639525e+00 
2.46 -4.277048115e+00 
2.48 -4.421679343e+00 
2.50 -4.551218978e+00 
2.52 -4.666694321e+00 
2.54 -4.768710487e+00 
2.56 -4.857694428e+00 
2.58 -4.933900171e+00 
2.60 -4.997594170e+00 
2.62 -5.050079375e+00 
2.64 -5.093202987e+00 
2.66 -5.127799737e+00 
2.68 -5.154086705e+00 
2.70 -5.172185829e+00 
2.72 -5.182229613e+00 
2.74 -5.184471053e+00 
2.76 -5.179454246e+00 
2.78 -5.167982866e+00 
2.80 -5.151007789e+00 
2.82 -5.129702975e+00 
2.84 -5.105408752e+00 
2.86 -5.078457095e+00 
2.88 -5.048471371e+00 
2.90 -5.014705159e+00 
2.92 -4.976453809e+00 
2.94 -4.933365636e+00 
2.96 -4.885364544e+00 
2.98 -4.832629518e+00 
3.00 -4.775569713e+00 
3.02 -4.714683507e+00 
3.04 -4.650615373e+00 
3.06 -4.584186854e+00 
3.08 -4.516219160e+00 
3.10 -4.447472604e+00 
3.12 -4.378650204e+00 
3.14 -4.310379216e+00 
3.16 -4.243192183e+00 
3.18 -4.177514410e+00 
3.20 -4.113658028e+00 
3.22 -4.051819973e+00 
3.24 -3.992085155e+00 
3.26 -3.934435292e+00 
3.28 -3.878760623e+00 
3.30 -3.824873509e+00 
3.32 -3.772523878e+00 
3.34 -3.721416980e+00 
3.36 -3.671230941e+00 
3.38 -3.621633603e+00 
3.40 -3.572298682e+00 
3.42 -3.522920946e+00 
3.44 -3.473230019e+00 
3.46 -3.422998188e+00 
3.48 -3.372036708e+00 
3.50 -3.320196627e+00 
3.52 -3.267370529e+00 
3.54 -3.213491918e+00 
3.56 -3.158532084e+00 
3.58 -3.102494633e+00 
3.60 -3.045407791e+00 
3.62 -2.987314607e+00 
3.64 -2.928261420e+00 
3.66 -2.868284802e+00 
3.68 -2.807397398e+00 
3.70 -2.745587931e+00 
3.72 -2.682880943e+00 
3.74 -2.619361922e+00 
3.76 -2.555164418e+00 
3.78 -2.490456247e+00 
3.80 -2.425426433e+00 
3.82 -2.360273178e+00 
3.84 -2.295193927e+00 
3.86 -2.230377271e+00 
3.88 -2.165995807e+00 
3.90 -2.102200882e+00 
3.92 -2.039119482e+00 
3.94 -1.976853657e+00 
3.96 -1.915482795e+00 
3.98 -1.855068937e+00 
4.00 -1.795652677e+00 
4.02 -1.737225118e+00 
4.04 -1.679754936e+00 
4.06 -1.623228148e+00 
4.08 -1.567648379e+00 
4.10 -1.513033448e+00 
4.12 -1.459412352e+00 
4.14 -1.406822637e+00 
4.16 -1.355308097e+00 
4.18 -1.304916794e+00 
4.20 -1.255699345e+00 
4.22 -1.207707453e+00 
4.24 -1.160992662e+00 
4.26 -1.115605297e+00 
4.28 -1.071593561e+00 
4.30 -1.029002783e+00 
4.32 -9.878747642e-01 
4.34 -9.482472396e-01 
4.36 -9.101533988e-01 
4.38 -8.736214675e-01 
4.40 -8.386743361e-01 
4.42 -8.053291613e-01 
4.44 -7.735963042e-01 
4.46 -7.434781285e-01 
4.48 -7.149683927e-01 
4.50 -6.880517057e-01 
4.52 -6.627029454e-01 
4.54 -6.388868767e-01 
4.56 -6.165577496e-01 
4.58 -5.956590169e-01 
4.60 -5.761232815e-01 
4.62 -5.578724906e-01 
4.64 -5.408183479e-01 
4.66 -5.248629188e-01 
4.68 -5.098997822e-01 
4.70 -4.958170700e-01 
4.72 -4.824985547e-01 
4.74 -4.698272725e-01 
4.76 -4.576881270e-01 
4.78 -4.459702355e-01 
4.80 -4.345711144e-01 
4.82 -4.234017960e-01 
4.84 -4.123854051e-01 
4.86 -4.014737097e-01 
4.88 -3.906308438e-01 
4.90 -3.798343327e-01 
4.92 -3.690751492e-01 
4.94 -3.583280624e-01 
4.96 -3.475830668e-01 
4.98 -3.368550958e-01 
5.00 -3.261412862e-01 
5.02 -3.152284508e-01 
5.04 -3.042985130e-01 
5.06 -2.935841321e-01 
5.08 -2.832531535e-01 
5.10 -2.734772807e-01 
5.12 -2.643680383e-01 
5.14 -2.553746215e-01 
5.16 -2.460588117e-01 
5.18 -2.360570535e-01 
5.20 -2.253561791e-01 
5.22 -2.140541758e-01 
5.24 -2.022780901e-01 
5.26 -1.901853732e-01 
5.28 -1.778342337e-01 
5.30 -1.652989226e-01 
5.32 -1.526902879e-01 
5.34 -1.401382824e-01 
5.36 -1.277770299e-01 
5.38 -1.157193008e-01 
5.40 -1.042182705e-01 
5.42 -9.348520052e-02 
5.44 -8.363693670e-02 
5.46 -7.471842407e-02 
5.48 -6.671957514e-02 
5.50 -5.958766049e-02 
5.52 -5.323724892e-02 
5.54 -4.756934677e-02 
5.56 -4.248858625e-02 
5.58 -3.790705583e-02 
5.60 -3.374573911e-02 
5.62 -2.993512029e-02 
5.64 -2.641519030e-02 
5.66 -2.313505255e-02 
5.68 -2.005227582e-02 
5.70 -1.713211822e-02 
5.72 -1.434668691e-02 
5.74 -1.167409490e-02 
5.76 -9.097663537e-03 
5.78 -6.605189103e-03 
5.80 -4.188268765e-03 
5.82 -1.841721360e-03 
5.84  4.369170044e-04 
5.86  2.647815606e-03 
5.88  4.789207883e-03 
5.90  6.857692313e-03 
5.92  8.848448962e-03 
5.94  1.075544145e-02 
5.96  1.257156102e-02 
5.98  1.428872258e-02 
6.00  1.589794668e-02