# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2017--Bonny-G-Bakaev-A-Terentyev-D-Mastrikov-Y-A--W-Re
# implementation = 2017--Bonny-G--W-Re--LAMMPS--ipr1
# composition = Re2W
# 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  3.088795481e+03 
0.88  2.765129367e+03 
0.90  2.480350740e+03 
0.92  2.228940284e+03 
0.94  2.006570121e+03 
0.96  1.809430033e+03 
0.98  1.634117535e+03 
1.00  1.477896815e+03 
1.02  1.338318438e+03 
1.04  1.213078420e+03 
1.06  1.100123263e+03 
1.08  9.975586619e+02 
1.10  9.041248623e+02 
1.12  8.188323976e+02 
1.14  7.408293965e+02 
1.16  6.694088589e+02 
1.18  6.039463241e+02 
1.20  5.439368832e+02 
1.22  4.889442590e+02 
1.24  4.385877425e+02 
1.26  3.925574364e+02 
1.28  3.507480187e+02 
1.30  3.130702980e+02 
1.32  2.792079271e+02 
1.34  2.488169070e+02 
1.36  2.215630845e+02 
1.38  1.971447244e+02 
1.40  1.752960871e+02 
1.42  1.557457830e+02 
1.44  1.382518765e+02 
1.46  1.226225129e+02 
1.48  1.086840373e+02 
1.50  9.627113774e+01 
1.52  8.522120195e+01 
1.54  7.539319421e+01 
1.56  6.665950758e+01 
1.58  5.890658783e+01 
1.60  5.204856403e+01 
1.62  4.602801813e+01 
1.64  4.075739890e+01 
1.66  3.612081280e+01 
1.68  3.202663435e+01 
1.70  2.840712071e+01 
1.72  2.520248398e+01 
1.74  2.235797859e+01 
1.76  1.982771881e+01 
1.78  1.757361495e+01 
1.80  1.555899988e+01 
1.82  1.375060319e+01 
1.84  1.212213167e+01 
1.86  1.065321977e+01 
1.88  9.326487540e+00 
1.90  8.126658063e+00 
1.92  7.039566102e+00 
1.94  6.047489597e+00 
1.96  5.133573396e+00 
1.98  4.285685713e+00 
2.00  3.493112042e+00 
2.02  2.744782431e+00 
2.04  2.032875032e+00 
2.06  1.356058050e+00 
2.08  7.127943076e-01 
2.10  1.015079164e-01 
2.12 -4.793762050e-01 
2.14 -1.031069986e+00 
2.16 -1.553878350e+00 
2.18 -2.047871571e+00 
2.20 -2.512846327e+00 
2.22 -2.948795000e+00 
2.24 -3.356361577e+00 
2.26 -3.736326366e+00 
2.28 -4.089506898e+00 
2.30 -4.416768565e+00 
2.32 -4.719023705e+00 
2.34 -4.997237571e+00 
2.36 -5.252654043e+00 
2.38 -5.486522684e+00 
2.40 -5.699173696e+00 
2.42 -5.890665307e+00 
2.44 -6.061101653e+00 
2.46 -6.210634159e+00 
2.48 -6.339532821e+00 
2.50 -6.448235842e+00 
2.52 -6.537237720e+00 
2.54 -6.607056554e+00 
2.56 -6.658180537e+00 
2.58 -6.691200521e+00 
2.60 -6.707066257e+00 
2.62 -6.706770120e+00 
2.64 -6.691280854e+00 
2.66 -6.661606154e+00 
2.68 -6.620157884e+00 
2.70 -6.570690186e+00 
2.72 -6.516424496e+00 
2.74 -6.458461352e+00 
2.76 -6.397331454e+00 
2.78 -6.333522668e+00 
2.80 -6.267504529e+00 
2.82 -6.199728922e+00 
2.84 -6.130500983e+00 
2.86 -6.059806602e+00 
2.88 -5.987578362e+00 
2.90 -5.913810935e+00 
2.92 -5.838712630e+00 
2.94 -5.762524422e+00 
2.96 -5.685473508e+00 
2.98 -5.607773274e+00 
3.00 -5.529623043e+00 
3.02 -5.451039976e+00 
3.04 -5.371634316e+00 
3.06 -5.290977568e+00 
3.08 -5.208630904e+00 
3.10 -5.124247871e+00 
3.12 -5.037683174e+00 
3.14 -4.948922046e+00 
3.16 -4.858143017e+00 
3.18 -4.765549624e+00 
3.20 -4.671341452e+00 
3.22 -4.575714046e+00 
3.24 -4.478858820e+00 
3.26 -4.380962934e+00 
3.28 -4.282209023e+00 
3.30 -4.182770205e+00 
3.32 -4.082866078e+00 
3.34 -3.983138965e+00 
3.36 -3.884459127e+00 
3.38 -3.787324556e+00 
3.40 -3.692067805e+00 
3.42 -3.599019564e+00 
3.44 -3.508509287e+00 
3.46 -3.420855918e+00 
3.48 -3.336164979e+00 
3.50 -3.254328491e+00 
3.52 -3.175229829e+00 
3.54 -3.098759629e+00 
3.56 -3.024810331e+00 
3.58 -2.953274214e+00 
3.60 -2.884043407e+00 
3.62 -2.817009900e+00 
3.64 -2.752065555e+00 
3.66 -2.689102119e+00 
3.68 -2.628011233e+00 
3.70 -2.568684443e+00 
3.72 -2.511013217e+00 
3.74 -2.454888951e+00 
3.76 -2.400202979e+00 
3.78 -2.346846398e+00 
3.80 -2.294701652e+00 
3.82 -2.243639353e+00 
3.84 -2.193535562e+00 
3.86 -2.144321280e+00 
3.88 -2.095955811e+00 
3.90 -2.048398726e+00 
3.92 -2.001609659e+00 
3.94 -1.955548268e+00 
3.96 -1.910174346e+00 
3.98 -1.865447705e+00 
4.00 -1.821328362e+00 
4.02 -1.777776391e+00 
4.04 -1.734752015e+00 
4.06 -1.692215666e+00 
4.08 -1.650127963e+00 
4.10 -1.608449735e+00 
4.12 -1.567142041e+00 
4.14 -1.526166225e+00 
4.16 -1.485483970e+00 
4.18 -1.445057258e+00 
4.20 -1.404848274e+00 
4.22 -1.364824512e+00 
4.24 -1.324977300e+00 
4.26 -1.285303145e+00 
4.28 -1.245808822e+00 
4.30 -1.206529410e+00 
4.32 -1.167480169e+00 
4.34 -1.128706154e+00 
4.36 -1.090201586e+00 
4.38 -1.052022872e+00 
4.40 -1.013540605e+00 
4.42 -9.760317209e-01 
4.44 -9.407863068e-01 
4.46 -9.081105490e-01 
4.48 -8.744254544e-01 
4.50 -8.375388918e-01 
4.52 -7.969183512e-01 
4.54 -7.529975663e-01 
4.56 -7.082844356e-01 
4.58 -6.650725493e-01 
4.60 -6.245815310e-01 
4.62 -5.873283645e-01 
4.64 -5.533929449e-01 
4.66 -5.226022209e-01 
4.68 -4.946464818e-01 
4.70 -4.691599796e-01 
4.72 -4.457585194e-01 
4.74 -4.240717494e-01 
4.76 -4.038285447e-01 
4.78 -3.848477397e-01 
4.80 -3.669471716e-01 
4.82 -3.499832545e-01 
4.84 -3.337641994e-01 
4.86 -3.181681428e-01 
4.88 -3.030340976e-01 
4.90 -2.877592732e-01 
4.92 -2.728395216e-01 
4.94 -2.588874972e-01 
4.96 -2.465109499e-01 
4.98 -2.353535486e-01 
5.00 -2.234827874e-01 
5.02 -2.097482447e-01 
5.04 -1.936746069e-01 
5.06 -1.752311071e-01 
5.08 -1.548380194e-01 
5.10 -1.339857393e-01 
5.12 -1.138260956e-01 
5.14 -9.507279833e-02 
5.16 -7.812253562e-02 
5.18 -6.314929537e-02 
5.20 -5.017644134e-02 
5.22 -3.913054228e-02 
5.24 -2.988045460e-02 
5.26 -2.226469406e-02 
5.28 -1.610970044e-02 
5.30 -1.124120062e-02 
5.32 -7.490510109e-03 
5.34 -4.697281257e-03 
5.36 -2.709907349e-03 
5.38 -1.384526140e-03 
5.40 -5.833340426e-04 
5.42 -1.727228571e-04 
5.44 -2.158495881e-05 
5.46 -7.567437207e-10 
5.48  0.000000000e+00 
5.50  0.000000000e+00 
5.52  0.000000000e+00 
5.54  0.000000000e+00 
5.56  0.000000000e+00 
5.58  0.000000000e+00 
5.60  0.000000000e+00 
5.62  0.000000000e+00 
5.64  0.000000000e+00 
5.66  0.000000000e+00 
5.68  0.000000000e+00 
5.70  0.000000000e+00 
5.72  0.000000000e+00 
5.74  0.000000000e+00 
5.76  0.000000000e+00 
5.78  0.000000000e+00 
5.80  0.000000000e+00 
5.82  0.000000000e+00 
5.84  0.000000000e+00 
5.86  0.000000000e+00 
5.88  0.000000000e+00 
5.90  0.000000000e+00 
5.92  0.000000000e+00 
5.94  0.000000000e+00 
5.96  0.000000000e+00 
5.98  0.000000000e+00 
6.00  0.000000000e+00