# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni
# implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1
# composition = CoCr2
# 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  5.805051549e+04 
1.02  4.571722883e+04 
1.04  3.616622448e+04 
1.06  2.873392735e+04 
1.08  2.292336691e+04 
1.10  1.836031439e+04 
1.12  1.476148926e+04 
1.14  1.191137067e+04 
1.16  9.645188744e+03 
1.18  7.836381668e+03 
1.20  6.387295364e+03 
1.22  5.222251945e+03 
1.24  4.282356291e+03 
1.26  3.521587214e+03 
1.28  2.903841366e+03 
1.30  2.400686928e+03 
1.32  1.989651342e+03 
1.34  1.652909029e+03 
1.36  1.376270946e+03 
1.38  1.148404977e+03 
1.40  9.602315218e+02 
1.42  8.044525557e+02 
1.44  6.751840545e+02 
1.46  5.676683947e+02 
1.48  4.780477971e+02 
1.50  4.031856832e+02 
1.52  3.405247004e+02 
1.54  2.879743368e+02 
1.56  2.438211159e+02 
1.58  2.066570075e+02 
1.60  1.753225475e+02 
1.62  1.488605832e+02 
1.64  1.264788230e+02 
1.66  1.075201991e+02 
1.68  9.143866857e+01 
1.70  7.777952140e+01 
1.72  6.616343358e+01 
1.74  5.627342234e+01 
1.76  4.784402009e+01 
1.78  4.065236853e+01 
1.80  3.451114492e+01 
1.82  2.926269824e+01 
1.84  2.477401005e+01 
1.86  2.093271477e+01 
1.88  1.764381474e+01 
1.90  1.482689959e+01 
1.92  1.241383699e+01 
1.94  1.034671642e+01 
1.96  8.576141364e+00 
1.98  7.059865749e+00 
2.00  5.761828960e+00 
2.02  4.651247891e+00 
2.04  3.701820832e+00 
2.06  2.890962769e+00 
2.08  2.199309386e+00 
2.10  1.610250063e+00 
2.12  1.109512552e+00 
2.14  6.848285262e-01 
2.16  3.256512396e-01 
2.18  2.291680894e-02 
2.20 -2.311577505e-01 
2.22 -4.432727736e-01 
2.24 -6.192842083e-01 
2.26 -7.642600205e-01 
2.28 -8.825639042e-01 
2.30 -9.779530712e-01 
2.32 -1.053655323e+00 
2.34 -1.112435126e+00 
2.36 -1.156706560e+00 
2.38 -1.188630382e+00 
2.40 -1.210086388e+00 
2.42 -1.222702141e+00 
2.44 -1.227883735e+00 
2.46 -1.226842052e+00 
2.48 -1.220615144e+00 
2.50 -1.210087307e+00 
2.52 -1.196005293e+00 
2.54 -1.178992059e+00 
2.56 -1.159558499e+00 
2.58 -1.138135926e+00 
2.60 -1.115117624e+00 
2.62 -1.090827674e+00 
2.64 -1.065534232e+00 
2.66 -1.039498063e+00 
2.68 -1.012956079e+00 
2.70 -9.861101436e-01 
2.72 -9.591214898e-01 
2.74 -9.321171595e-01 
2.76 -9.052035798e-01 
2.78 -8.784694417e-01 
2.80 -8.519877907e-01 
2.82 -8.258177838e-01 
2.84 -8.000061564e-01 
2.86 -7.745884402e-01 
2.88 -7.495947130e-01 
2.90 -7.250609253e-01 
2.92 -7.010202231e-01 
2.94 -6.775013281e-01 
2.96 -6.545291099e-01 
2.98 -6.321250471e-01 
3.00 -6.103075880e-01 
3.02 -5.890924268e-01 
3.04 -5.684927027e-01 
3.06 -5.485191343e-01 
3.08 -5.291800948e-01 
3.10 -5.104816372e-01 
3.12 -4.924274745e-01 
3.14 -4.750189212e-01 
3.16 -4.582547464e-01 
3.18 -4.421275106e-01 
3.20 -4.266218731e-01 
3.22 -4.117203941e-01 
3.24 -3.974038581e-01 
3.26 -3.836509967e-01 
3.28 -3.704381949e-01 
3.30 -3.577391844e-01 
3.32 -3.455268031e-01 
3.34 -3.337795099e-01 
3.36 -3.224759088e-01 
3.38 -3.115925644e-01 
3.40 -3.011037424e-01 
3.42 -2.909811443e-01 
3.44 -2.811936364e-01 
3.46 -2.717084797e-01 
3.48 -2.625081083e-01 
3.50 -2.535864060e-01 
3.52 -2.449380943e-01 
3.54 -2.365584748e-01 
3.56 -2.284433604e-01 
3.58 -2.205890034e-01 
3.60 -2.129920224e-01 
3.62 -2.056493280e-01 
3.64 -1.985580459e-01 
3.66 -1.917154405e-01 
3.68 -1.851188361e-01 
3.70 -1.787655381e-01 
3.72 -1.726527534e-01 
3.74 -1.667775100e-01 
3.76 -1.611365762e-01 
3.78 -1.557263798e-01 
3.80 -1.505429263e-01 
3.82 -1.455817174e-01 
3.84 -1.408376693e-01 
3.86 -1.363050306e-01 
3.88 -1.319773003e-01 
3.90 -1.278471455e-01 
3.92 -1.239063198e-01 
3.94 -1.201455807e-01 
3.96 -1.165546078e-01 
3.98 -1.131219207e-01 
4.00 -1.098347971e-01 
4.02 -1.066791910e-01 
4.04 -1.036396510e-01 
4.06 -1.007011286e-01 
4.08 -9.785722698e-02 
4.10 -9.510460415e-02 
4.12 -9.244004326e-02 
4.14 -8.986044695e-02 
4.16 -8.736283295e-02 
4.18 -8.494432981e-02 
4.20 -8.260217286e-02 
4.22 -8.033370018e-02 
4.24 -7.813634879e-02 
4.26 -7.600765091e-02 
4.28 -7.394523041e-02 
4.30 -7.194679927e-02 
4.32 -7.001015430e-02 
4.34 -6.813317389e-02 
4.36 -6.631381486e-02 
4.38 -6.455010952e-02 
4.40 -6.284016275e-02 
4.42 -6.118214920e-02 
4.44 -5.957431065e-02 
4.46 -5.801495338e-02 
4.48 -5.650223832e-02 
4.50 -5.503359461e-02 
4.52 -5.360641385e-02 
4.54 -5.221826399e-02 
4.56 -5.086688325e-02 
4.58 -4.955017395e-02 
4.60 -4.826619648e-02 
4.62 -4.701316333e-02 
4.64 -4.578943311e-02 
4.66 -4.459350467e-02 
4.68 -4.342401124e-02 
4.70 -4.227971463e-02 
4.72 -4.115949946e-02 
4.74 -4.006236746e-02 
4.76 -3.898743175e-02 
4.78 -3.793391125e-02 
4.80 -3.690112506e-02 
4.82 -3.588848686e-02 
4.84 -3.489549945e-02 
4.86 -3.392174918e-02 
4.88 -3.296690054e-02 
4.90 -3.203069070e-02 
4.92 -3.111292414e-02 
4.94 -3.021346720e-02 
4.96 -2.933224285e-02 
4.98 -2.846922526e-02 
5.00 -2.762443459e-02 
5.02 -2.679793166e-02 
5.04 -2.598981274e-02 
5.06 -2.520020435e-02 
5.08 -2.442925798e-02 
5.10 -2.367714502e-02 
5.12 -2.294405149e-02 
5.14 -2.223017299e-02 
5.16 -2.153568768e-02 
5.18 -2.086028301e-02 
5.20 -2.020320487e-02 
5.22 -1.956375483e-02 
5.24 -1.894130495e-02 
5.26 -1.833529024e-02 
5.28 -1.774520112e-02 
5.30 -1.717057586e-02 
5.32 -1.661099307e-02 
5.34 -1.606606413e-02 
5.36 -1.553542565e-02 
5.38 -1.501873194e-02 
5.40 -1.451564747e-02 
5.42 -1.402583931e-02 
5.44 -1.354896962e-02 
5.46 -1.308468807e-02 
5.48 -1.263262431e-02 
5.50 -1.219238046e-02 
5.52 -1.176352350e-02 
5.54 -1.134557781e-02 
5.56 -1.093801757e-02 
5.58 -1.054025922e-02 
5.60 -1.015165397e-02 
5.62 -9.771480194e-03 
5.64 -9.398935917e-03 
5.66 -9.033131278e-03 
5.68 -8.673080980e-03 
5.70 -8.317696748e-03 
5.72 -7.965782545e-03 
5.74 -7.616541424e-03 
5.76 -7.270234464e-03 
5.78 -6.927281370e-03 
5.80 -6.588118081e-03 
5.82 -6.253193878e-03 
5.84 -5.922968499e-03 
5.86 -5.597909248e-03 
5.88 -5.278488106e-03 
5.90 -4.965178844e-03 
5.92 -4.658454135e-03 
5.94 -4.358782662e-03 
5.96 -4.066626233e-03 
5.98 -3.782436891e-03 
6.00 -3.506654025e-03