# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Sikorski-E-L-Cusentino-M-A-McCarthy-M-J-et-al--W-Zr-C
# implementation = 2023--Sikorski-E-L--W-Zr-C--LAMMPS--ipr1
# composition = C2Zr
# 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 2023-04-18

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  1.918554941e+03 
0.88  1.568476172e+03 
0.90  1.285589383e+03 
0.92  1.061504911e+03 
0.94  8.796190568e+02 
0.96  7.367709815e+02 
0.98  6.283387735e+02 
1.00  5.343322227e+02 
1.02  4.543008201e+02 
1.04  3.904158454e+02 
1.06  3.391115060e+02 
1.08  2.942060387e+02 
1.10  2.543075341e+02 
1.12  2.185511465e+02 
1.14  1.875809483e+02 
1.16  1.598800047e+02 
1.18  1.348953357e+02 
1.20  1.131854315e+02 
1.22  9.492810717e+01 
1.24  7.981012611e+01 
1.26  6.730595851e+01 
1.28  5.682884118e+01 
1.30  4.746547979e+01 
1.32  3.939879793e+01 
1.34  3.277168057e+01 
1.36  2.758218525e+01 
1.38  2.376772060e+01 
1.40  2.114497082e+01 
1.42  1.948718271e+01 
1.44  1.863025097e+01 
1.46  1.809787969e+01 
1.48  1.748364028e+01 
1.50  1.674873272e+01 
1.52  1.591729010e+01 
1.54  1.503407293e+01 
1.56  1.414490769e+01 
1.58  1.328478965e+01 
1.60  1.247396932e+01 
1.62  1.172029881e+01 
1.64  1.100396573e+01 
1.66  1.031338346e+01 
1.68  9.659127741e+00 
1.70  9.056888607e+00 
1.72  8.503110605e+00 
1.74  7.926627875e+00 
1.76  7.305068644e+00 
1.78  6.635448454e+00 
1.80  5.917703617e+00 
1.82  5.154203314e+00 
1.84  4.349482453e+00 
1.86  3.510320457e+00 
1.88  2.644633445e+00 
1.90  1.766141698e+00 
1.92  9.100451499e-01 
1.94  1.096961905e-01 
1.96 -6.099090027e-01 
1.98 -1.234659408e+00 
2.00 -1.761695119e+00 
2.02 -2.197850737e+00 
2.04 -2.556749103e+00 
2.06 -2.850124056e+00 
2.08 -3.091229634e+00 
2.10 -3.295192168e+00 
2.12 -3.473806659e+00 
2.14 -3.635524372e+00 
2.16 -3.786221153e+00 
2.18 -3.930244618e+00 
2.20 -4.071249908e+00 
2.22 -4.212483297e+00 
2.24 -4.356398005e+00 
2.26 -4.499862487e+00 
2.28 -4.620297752e+00 
2.30 -4.714933623e+00 
2.32 -4.783134352e+00 
2.34 -4.826884268e+00 
2.36 -4.848722275e+00 
2.38 -4.851295061e+00 
2.40 -4.837298480e+00 
2.42 -4.809422738e+00 
2.44 -4.770301415e+00 
2.46 -4.722464273e+00 
2.48 -4.668293878e+00 
2.50 -4.609986246e+00 
2.52 -4.549515976e+00 
2.54 -4.488606569e+00 
2.56 -4.428706908e+00 
2.58 -4.370974971e+00 
2.60 -4.316269863e+00 
2.62 -4.265153102e+00 
2.64 -4.217899743e+00 
2.66 -4.174519466e+00 
2.68 -4.134787139e+00 
2.70 -4.098281756e+00 
2.72 -4.064431970e+00 
2.74 -4.032565938e+00 
2.76 -4.001962746e+00 
2.78 -3.971902518e+00 
2.80 -3.941712293e+00 
2.82 -3.910805008e+00 
2.84 -3.878709419e+00 
2.86 -3.845089380e+00 
2.88 -3.809751687e+00 
2.90 -3.772170779e+00 
2.92 -3.731562397e+00 
2.94 -3.688012249e+00 
2.96 -3.641697120e+00 
2.98 -3.592843771e+00 
3.00 -3.541700164e+00 
3.02 -3.488507329e+00 
3.04 -3.433474010e+00 
3.06 -3.376756019e+00 
3.08 -3.318441925e+00 
3.10 -3.258546267e+00 
3.12 -3.197011002e+00 
3.14 -3.133715358e+00 
3.16 -3.068493648e+00 
3.18 -3.001160003e+00 
3.20 -2.931538390e+00 
3.22 -2.859495709e+00 
3.24 -2.784971602e+00 
3.26 -2.707670615e+00 
3.28 -2.627627842e+00 
3.30 -2.545218983e+00 
3.32 -2.460875048e+00 
3.34 -2.375068981e+00 
3.36 -2.288300853e+00 
3.38 -2.201082263e+00 
3.40 -2.113920613e+00 
3.42 -2.027303902e+00 
3.44 -1.941686680e+00 
3.46 -1.857477723e+00 
3.48 -1.775029906e+00 
3.50 -1.694632648e+00 
3.52 -1.616507177e+00 
3.54 -1.540804717e+00 
3.56 -1.467607586e+00 
3.58 -1.396933020e+00 
3.60 -1.328739466e+00 
3.62 -1.262934934e+00 
3.64 -1.199386939e+00 
3.66 -1.137933507e+00 
3.68 -1.078394682e+00 
3.70 -1.020583969e+00 
3.72 -9.643192053e-01 
3.74 -9.094323560e-01 
3.76 -8.557778742e-01 
3.78 -8.032393040e-01 
3.80 -7.517339446e-01 
3.82 -7.012154926e-01 
3.84 -6.516746906e-01 
3.86 -6.031381092e-01 
3.88 -5.556652799e-01 
3.90 -5.093444625e-01 
3.92 -4.642873811e-01 
3.94 -4.206232904e-01 
3.96 -3.784927376e-01 
3.98 -3.380413704e-01 
4.00 -2.994141072e-01 
4.02 -2.627499380e-01 
4.04 -2.281775657e-01 
4.06 -1.958120303e-01 
4.08 -1.657523957e-01 
4.10 -1.380805091e-01 
4.12 -1.128607893e-01 
4.14 -9.014094396e-02 
4.16 -6.995347989e-02 
4.18 -5.231783662e-02 
4.20 -3.724295851e-02 
4.22 -2.473011032e-02 
4.24 -1.477574451e-02 
4.26 -7.374238374e-03 
4.28 -2.520336466e-03 
4.30 -2.111564915e-04 
4.32 -9.454371946e-16 
4.34 -9.454371946e-16 
4.36 -9.454371946e-16 
4.38 -9.454371946e-16 
4.40 -9.454371946e-16 
4.42 -9.454371946e-16 
4.44 -9.454371946e-16 
4.46 -9.454371946e-16 
4.48 -9.454371946e-16 
4.50 -9.454371946e-16 
4.52 -9.454371946e-16 
4.54 -9.454371946e-16 
4.56 -9.454371946e-16 
4.58 -9.454371946e-16 
4.60 -9.454371946e-16 
4.62 -9.454371946e-16 
4.64 -9.454371946e-16 
4.66 -9.454371946e-16 
4.68 -9.454371946e-16 
4.70 -9.454371946e-16 
4.72 -9.454371946e-16 
4.74 -9.454371946e-16 
4.76 -9.454371946e-16 
4.78 -9.454371946e-16 
4.80 -9.454371946e-16 
4.82 -9.454371946e-16 
4.84 -9.454371946e-16 
4.86 -9.454371946e-16 
4.88 -9.454371946e-16 
4.90 -9.454371946e-16 
4.92 -9.454371946e-16 
4.94 -9.454371946e-16 
4.96 -9.454371946e-16 
4.98 -9.454371946e-16 
5.00 -9.454371946e-16 
5.02 -9.454371946e-16 
5.04 -9.454371946e-16 
5.06 -9.454371946e-16 
5.08 -9.454371946e-16 
5.10 -9.454371946e-16 
5.12 -9.454371946e-16 
5.14 -9.454371946e-16 
5.16 -9.454371946e-16 
5.18 -9.454371946e-16 
5.20 -9.454371946e-16 
5.22 -9.454371946e-16 
5.24 -9.454371946e-16 
5.26 -9.454371946e-16 
5.28 -9.454371946e-16 
5.30 -9.454371946e-16 
5.32 -9.454371946e-16 
5.34 -9.454371946e-16 
5.36 -9.454371946e-16 
5.38 -9.454371946e-16 
5.40 -9.454371946e-16 
5.42 -9.454371946e-16 
5.44 -9.454371946e-16 
5.46 -9.454371946e-16 
5.48 -9.454371946e-16 
5.50 -9.454371946e-16 
5.52 -9.454371946e-16 
5.54 -9.454371946e-16 
5.56 -9.454371946e-16 
5.58 -9.454371946e-16 
5.60 -9.454371946e-16 
5.62 -9.454371946e-16 
5.64 -9.454371946e-16 
5.66 -9.454371946e-16 
5.68 -9.454371946e-16 
5.70 -9.454371946e-16 
5.72 -9.454371946e-16 
5.74 -9.454371946e-16 
5.76 -9.454371946e-16 
5.78 -9.454371946e-16 
5.80 -9.454371946e-16 
5.82 -9.454371946e-16 
5.84 -9.454371946e-16 
5.86 -9.454371946e-16 
5.88 -9.454371946e-16 
5.90 -9.454371946e-16 
5.92 -9.454371946e-16 
5.94 -9.454371946e-16 
5.96 -9.454371946e-16 
5.98 -9.454371946e-16 
6.00 -9.454371946e-16