# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Nitol-M-S-Echeverria-M-J-Dang-K-et-al--V-Nb-Ta-Ti-Zr
# implementation = 2024--Nitol-M-S--V-Nb-Ta-Ti-Zr--LAMMPS--ipr1
# composition = Ta2Zr
# 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 2024-03-01

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  1.982715240e+02 
1.06  1.879508410e+02 
1.08  1.781160230e+02 
1.10  1.687448352e+02 
1.12  1.598160657e+02 
1.14  1.513094783e+02 
1.16  1.432057655e+02 
1.18  1.354865058e+02 
1.20  1.281341219e+02 
1.22  1.211318408e+02 
1.24  1.144636569e+02 
1.26  1.081142955e+02 
1.28  1.020691792e+02 
1.30  9.631439539e+01 
1.32  9.083666514e+01 
1.34  8.562331400e+01 
1.36  8.066224393e+01 
1.38  7.594190660e+01 
1.40  7.145127808e+01 
1.42  6.717983453e+01 
1.44  6.311752926e+01 
1.46  5.925477073e+01 
1.48  5.558240164e+01 
1.50  5.209167901e+01 
1.52  4.877425520e+01 
1.54  4.562215979e+01 
1.56  4.262778237e+01 
1.58  3.978385610e+01 
1.60  3.708344203e+01 
1.62  3.451991418e+01 
1.64  3.208694533e+01 
1.66  2.977849338e+01 
1.68  2.758878849e+01 
1.70  2.551232070e+01 
1.72  2.354382818e+01 
1.74  2.167828599e+01 
1.76  1.991089540e+01 
1.78  1.823707367e+01 
1.80  1.665244432e+01 
1.82  1.515282784e+01 
1.84  1.373423283e+01 
1.86  1.239284754e+01 
1.88  1.112503181e+01 
1.90  9.927309344e+00 
1.92  8.796360420e+00 
1.94  7.729014823e+00 
1.96  6.722245180e+00 
1.98  5.773160567e+00 
2.00  4.879000411e+00 
2.02  4.037128670e+00 
2.04  3.245028276e+00 
2.06  2.500295828e+00 
2.08  1.800636527e+00 
2.10  1.143859338e+00 
2.12  5.278723725e-01 
2.14 -4.932152562e-02 
2.16 -5.896289905e-01 
2.18 -1.094870161e+00 
2.20 -1.566782523e+00 
2.22 -2.007024578e+00 
2.24 -2.417179354e+00 
2.26 -2.798757757e+00 
2.28 -3.153201765e+00 
2.30 -3.481887491e+00 
2.32 -3.786128105e+00 
2.34 -4.067176623e+00 
2.36 -4.326228577e+00 
2.38 -4.564424562e+00 
2.40 -4.782852672e+00 
2.42 -4.982550831e+00 
2.44 -5.164509012e+00 
2.46 -5.329671369e+00 
2.48 -5.478938267e+00 
2.50 -5.613168223e+00 
2.52 -5.733179763e+00 
2.54 -5.839753202e+00 
2.56 -5.933632330e+00 
2.58 -6.015526045e+00 
2.60 -6.086109895e+00 
2.62 -6.146027564e+00 
2.64 -6.195892287e+00 
2.66 -6.236288209e+00 
2.68 -6.267771673e+00 
2.70 -6.290872463e+00 
2.72 -6.306094987e+00 
2.74 -6.313919410e+00 
2.76 -6.314802732e+00 
2.78 -6.309179829e+00 
2.80 -6.297464437e+00 
2.82 -6.280050103e+00 
2.84 -6.257311086e+00 
2.86 -6.229603222e+00 
2.88 -6.197264755e+00 
2.90 -6.160617126e+00 
2.92 -6.119965729e+00 
2.94 -6.075600632e+00 
2.96 -6.027805747e+00 
2.98 -5.977421799e+00 
3.00 -5.925248393e+00 
3.02 -5.868490533e+00 
3.04 -5.809263163e+00 
3.06 -5.747778023e+00 
3.08 -5.684235779e+00 
3.10 -5.618826529e+00 
3.12 -5.551730289e+00 
3.14 -5.483117449e+00 
3.16 -5.413149223e+00 
3.18 -5.341978065e+00 
3.20 -5.269748078e+00 
3.22 -5.196595399e+00 
3.24 -5.122648570e+00 
3.26 -5.048028890e+00 
3.28 -4.972850751e+00 
3.30 -4.897221969e+00 
3.32 -4.821244083e+00 
3.34 -4.745012659e+00 
3.36 -4.668617567e+00 
3.38 -4.592143256e+00 
3.40 -4.515669006e+00 
3.42 -4.439269181e+00 
3.44 -4.363013461e+00 
3.46 -4.286967071e+00 
3.48 -4.211190993e+00 
3.50 -4.135742175e+00 
3.52 -4.060673725e+00 
3.54 -3.986035105e+00 
3.56 -3.911872303e+00 
3.58 -3.838228012e+00 
3.60 -3.765141790e+00 
3.62 -3.692643565e+00 
3.64 -3.619406781e+00 
3.66 -3.539367577e+00 
3.68 -3.462033356e+00 
3.70 -3.392993969e+00 
3.72 -3.324661217e+00 
3.74 -3.257057857e+00 
3.76 -3.190204559e+00 
3.78 -3.124120022e+00 
3.80 -3.058821069e+00 
3.82 -2.994322752e+00 
3.84 -2.930638444e+00 
3.86 -2.867779930e+00 
3.88 -2.805757492e+00 
3.90 -2.744579992e+00 
3.92 -2.684254952e+00 
3.94 -2.624788628e+00 
3.96 -2.566186080e+00 
3.98 -2.508451243e+00 
4.00 -2.451586990e+00 
4.02 -2.395595199e+00 
4.04 -2.340476804e+00 
4.06 -2.286231859e+00 
4.08 -2.232859590e+00 
4.10 -2.180358445e+00 
4.12 -2.128726142e+00 
4.14 -2.077959722e+00 
4.16 -2.028055586e+00 
4.18 -1.979009541e+00 
4.20 -1.930816839e+00 
4.22 -1.883472220e+00 
4.24 -1.836969940e+00 
4.26 -1.791303814e+00 
4.28 -1.746467243e+00 
4.30 -1.702453251e+00 
4.32 -1.659254509e+00 
4.34 -1.616863368e+00 
4.36 -1.575271883e+00 
4.38 -1.534471839e+00 
4.40 -1.494454779e+00 
4.42 -1.455212019e+00 
4.44 -1.416734680e+00 
4.46 -1.379013699e+00 
4.48 -1.342039855e+00 
4.50 -1.305803783e+00 
4.52 -1.270295998e+00 
4.54 -1.235506903e+00 
4.56 -1.201426811e+00 
4.58 -1.168045957e+00 
4.60 -1.135354515e+00 
4.62 -1.103342605e+00 
4.64 -1.072000312e+00 
4.66 -1.041317693e+00 
4.68 -1.011284793e+00 
4.70 -9.818916479e-01 
4.72 -9.531283013e-01 
4.74 -9.249848096e-01 
4.76 -8.974512520e-01 
4.78 -8.705177380e-01 
4.80 -8.441744147e-01 
4.82 -8.184114743e-01 
4.84 -7.932191602e-01 
4.86 -7.685877731e-01 
4.88 -7.445076766e-01 
4.90 -7.209693026e-01 
4.92 -6.979631559e-01 
4.94 -6.754798187e-01 
4.96 -6.535099551e-01 
4.98 -6.320443142e-01 
5.00 -6.110737341e-01 
5.02 -5.905891448e-01 
5.04 -5.705815714e-01 
5.06 -5.510421364e-01 
5.08 -5.319620623e-01 
5.10 -5.133326734e-01 
5.12 -4.951121123e-01 
5.14 -4.750851079e-01 
5.16 -4.440339953e-01 
5.18 -3.938794499e-01 
5.20 -3.566056705e-01 
5.22 -3.427936431e-01 
5.24 -3.293045255e-01 
5.26 -3.161324740e-01 
5.28 -3.032717095e-01 
5.30 -2.907165192e-01 
5.32 -2.784612571e-01 
5.34 -2.665003452e-01 
5.36 -2.548282738e-01 
5.38 -2.434396029e-01 
5.40 -2.323289622e-01 
5.42 -2.214910516e-01 
5.44 -2.109206419e-01 
5.46 -2.006125749e-01 
5.48 -1.905617636e-01 
5.50 -1.807631927e-01 
5.52 -1.712119182e-01 
5.54 -1.619030675e-01 
5.56 -1.528318399e-01 
5.58 -1.439935058e-01 
5.60 -1.353834070e-01 
5.62 -1.269969563e-01 
5.64 -1.188296375e-01 
5.66 -1.108770045e-01 
5.68 -1.031346819e-01 
5.70 -9.559836373e-02 
5.72 -8.826381347e-02 
5.74 -8.112686359e-02 
5.76 -7.418341498e-02 
5.78 -6.742943647e-02 
5.80 -6.086096427e-02 
5.82 -5.447410142e-02 
5.84 -4.826501721e-02 
5.86 -4.222994653e-02 
5.88 -3.636518926e-02 
5.90 -3.066710965e-02 
5.92 -2.526754846e-02 
5.94 -2.200950422e-02 
5.96 -2.457672019e-02 
5.98 -2.644181216e-02 
6.00 -3.725776313e-22