# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Starikov-S-Grigorev-P-Olsson-P-A-T--W-Mo-Nb
# implementation = 2024--Starikov-S--W-Mo-Nb--LAMMPS--ipr1
# composition = NbW2
# 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 2024-01-04

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  1.780277153e+11 
0.98  1.190208720e+11 
1.00  7.957169799e+10 
1.02  5.319785492e+10 
1.04  3.556555738e+10 
1.06  2.377744172e+10 
1.08  1.589646812e+10 
1.10  1.062762380e+10 
1.12  7.105124845e+09 
1.14  4.750149333e+09 
1.16  3.175724486e+09 
1.18  2.123138725e+09 
1.20  1.419429798e+09 
1.22  9.489633705e+08 
1.24  6.344318381e+08 
1.26  4.241509958e+08 
1.28  2.835672199e+08 
1.30  1.895795917e+08 
1.32  1.267439318e+08 
1.34  8.473499610e+07 
1.36  5.664981768e+07 
1.38  3.787340176e+07 
1.40  2.532038130e+07 
1.42  1.692802678e+07 
1.44  1.131729613e+07 
1.46  7.566227353e+06 
1.48  5.058440872e+06 
1.50  3.381854012e+06 
1.52  2.260967290e+06 
1.54  1.511595509e+06 
1.56  1.010600922e+06 
1.58  6.756595238e+05 
1.60  4.517334949e+05 
1.62  3.020271246e+05 
1.64  2.019403049e+05 
1.66  1.350267712e+05 
1.68  9.029147968e+04 
1.70  6.038349318e+04 
1.72  4.038831374e+04 
1.74  2.702041080e+04 
1.76  1.808327179e+04 
1.78  1.210847064e+04 
1.80  8.114187590e+03 
1.82  5.443659190e+03 
1.84  3.658181292e+03 
1.86  2.464546882e+03 
1.88  1.666573600e+03 
1.90  1.133080116e+03 
1.92  7.763552232e+02 
1.94  5.377942059e+02 
1.96  3.782425240e+02 
1.98  2.716027520e+02 
2.00  2.004560563e+02 
2.02  1.531145537e+02 
2.04  1.216992108e+02 
2.06  1.007261315e+02 
2.08  8.651987792e+01 
2.10  7.689322314e+01 
2.12  6.887134466e+01 
2.14  6.187101615e+01 
2.16  5.762847421e+01 
2.18  5.504614308e+01 
2.20  5.306752415e+01 
2.22  5.143566704e+01 
2.24  5.035707506e+01 
2.26  4.982801772e+01 
2.28  4.951924998e+01 
2.30  3.026563131e+01 
2.32  1.656387049e+01 
2.34  7.306164915e+00 
2.36  6.434968757e-01 
2.38 -3.618097535e+00 
2.40 -5.523762451e+00 
2.42 -5.973285968e+00 
2.44 -5.992773568e+00 
2.46 -6.061307061e+00 
2.48 -6.203690547e+00 
2.50 -6.351188406e+00 
2.52 -6.476530576e+00 
2.54 -6.571468835e+00 
2.56 -6.708796439e+00 
2.58 -6.836810843e+00 
2.60 -6.952024618e+00 
2.62 -7.023993712e+00 
2.64 -7.078521875e+00 
2.66 -7.115984982e+00 
2.68 -7.134294492e+00 
2.70 -7.142558947e+00 
2.72 -7.141162194e+00 
2.74 -7.134015572e+00 
2.76 -7.127460039e+00 
2.78 -7.123823301e+00 
2.80 -7.117759313e+00 
2.82 -7.101407051e+00 
2.84 -7.066223259e+00 
2.86 -7.013634919e+00 
2.88 -6.956680266e+00 
2.90 -6.910025418e+00 
2.92 -6.871098538e+00 
2.94 -6.835537622e+00 
2.96 -6.789083424e+00 
2.98 -6.729707688e+00 
3.00 -6.674658144e+00 
3.02 -6.642875262e+00 
3.04 -6.651583648e+00 
3.06 -6.694247632e+00 
3.08 -6.740965478e+00 
3.10 -6.762213102e+00 
3.12 -6.733904024e+00 
3.14 -6.651823786e+00 
3.16 -6.519598761e+00 
3.18 -6.344837963e+00 
3.20 -6.152445062e+00 
3.22 -5.984217584e+00 
3.24 -5.882906287e+00 
3.26 -5.814864283e+00 
3.28 -5.739731312e+00 
3.30 -5.675655083e+00 
3.32 -5.606131492e+00 
3.34 -5.510224341e+00 
3.36 -5.316843061e+00 
3.38 -5.108205906e+00 
3.40 -4.920647974e+00 
3.42 -4.759370092e+00 
3.44 -4.616546244e+00 
3.46 -4.482330354e+00 
3.48 -4.346573664e+00 
3.50 -4.209824044e+00 
3.52 -4.082301447e+00 
3.54 -3.979379462e+00 
3.56 -3.920237673e+00 
3.58 -3.905044050e+00 
3.60 -3.912524411e+00 
3.62 -3.919434482e+00 
3.64 -3.902679669e+00 
3.66 -3.856011290e+00 
3.68 -3.794003360e+00 
3.70 -3.730859734e+00 
3.72 -3.682002449e+00 
3.74 -3.654020130e+00 
3.76 -3.635359936e+00 
3.78 -3.612440770e+00 
3.80 -3.573288958e+00 
3.82 -3.509993768e+00 
3.84 -3.423655115e+00 
3.86 -3.315587519e+00 
3.88 -3.188239280e+00 
3.90 -3.047397782e+00 
3.92 -2.900639638e+00 
3.94 -2.756597099e+00 
3.96 -2.621105721e+00 
3.98 -2.499217896e+00 
4.00 -2.394395200e+00 
4.02 -2.306452695e+00 
4.04 -2.234219733e+00 
4.06 -2.175536584e+00 
4.08 -2.125662363e+00 
4.10 -2.078683443e+00 
4.12 -2.031304690e+00 
4.14 -1.983189015e+00 
4.16 -1.934195552e+00 
4.18 -1.884265141e+00 
4.20 -1.833668757e+00 
4.22 -1.784142576e+00 
4.24 -1.710810822e+00 
4.26 -1.678454688e+00 
4.28 -1.727563347e+00 
4.30 -1.832916541e+00 
4.32 -1.901432871e+00 
4.34 -1.967509019e+00 
4.36 -2.027275948e+00 
4.38 -2.079917163e+00 
4.40 -2.124850015e+00 
4.42 -2.161520901e+00 
4.44 -2.189332433e+00 
4.46 -2.207920528e+00 
4.48 -2.218672152e+00 
4.50 -2.224425234e+00 
4.52 -2.227816248e+00 
4.54 -2.231238600e+00 
4.56 -2.236907733e+00 
4.58 -2.246148757e+00 
4.60 -2.258472294e+00 
4.62 -2.271528539e+00 
4.64 -2.281844337e+00 
4.66 -2.286181329e+00 
4.68 -2.281552479e+00 
4.70 -2.266185748e+00 
4.72 -2.239769485e+00 
4.74 -2.202518690e+00 
4.76 -2.157267020e+00 
4.78 -2.108382459e+00 
4.80 -2.060424283e+00 
4.82 -2.015837295e+00 
4.84 -1.974634488e+00 
4.86 -1.936510700e+00 
4.88 -1.900131077e+00 
4.90 -1.860777852e+00 
4.92 -1.814866509e+00 
4.94 -1.766381469e+00 
4.96 -1.722640005e+00 
4.98 -1.687309914e+00 
5.00 -1.657736287e+00 
5.02 -1.640091738e+00 
5.04 -1.643351285e+00 
5.06 -1.660058589e+00 
5.08 -1.679506635e+00 
5.10 -1.696090006e+00 
5.12 -1.704302893e+00 
5.14 -1.695034278e+00 
5.16 -1.663311506e+00 
5.18 -1.616297606e+00 
5.20 -1.559667203e+00 
5.22 -1.490909581e+00 
5.24 -1.409485349e+00 
5.26 -1.329378584e+00 
5.28 -1.270629236e+00 
5.30 -1.237061605e+00 
5.32 -1.222568078e+00 
5.34 -1.217554310e+00 
5.36 -1.211812443e+00 
5.38 -1.197683393e+00 
5.40 -1.178868559e+00 
5.42 -1.156277184e+00 
5.44 -1.130248923e+00 
5.46 -1.101251256e+00 
5.48 -1.069831102e+00 
5.50 -1.036684733e+00 
5.52 -1.002677432e+00 
5.54 -9.688060775e-01 
5.56 -9.350486510e-01 
5.58 -9.003523262e-01 
5.60 -8.634938293e-01 
5.62 -8.232163624e-01 
5.64 -7.780590933e-01 
5.66 -7.262760154e-01 
5.68 -6.664579014e-01 
5.70 -6.010770595e-01 
5.72 -5.344400719e-01 
5.74 -4.718312927e-01 
5.76 -4.204483855e-01 
5.78 -3.902816920e-01 
5.80 -3.923808921e-01 
5.82 -4.281911233e-01 
5.84 -4.835976778e-01 
5.86 -5.459513192e-01 
5.88 -6.063997134e-01 
5.90 -6.580535646e-01 
5.92 -6.946885142e-01 
5.94 -7.100609671e-01 
5.96 -7.022926210e-01 
5.98 -6.740546884e-01 
6.00 -6.275666012e-01