# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2013--Ko-W-S-Lee-B-J--V-Pd-Y
# implementation = 2013--Ko-W-S--V-Pd-Y--LAMMPS--ipr1
# composition = Pd2V
# 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  nan             
1.02  nan             
1.04  4.080097426e+02 
1.06  3.803052150e+02 
1.08  3.543713445e+02 
1.10  3.300989697e+02 
1.12  3.073854879e+02 
1.14  2.861344694e+02 
1.16  2.662552931e+02 
1.18  2.476628050e+02 
1.20  2.302769944e+02 
1.22  2.140226903e+02 
1.24  1.988292750e+02 
1.26  1.846304141e+02 
1.28  1.713638026e+02 
1.30  1.589709254e+02 
1.32  1.473968320e+02 
1.34  1.365899244e+02 
1.36  1.265017572e+02 
1.38  1.170868491e+02 
1.40  1.083025064e+02 
1.42  1.001086557e+02 
1.44  9.246768696e+01 
1.46  8.534430613e+01 
1.48  7.870539561e+01 
1.50  7.251988352e+01 
1.52  6.675862051e+01 
1.54  6.139426381e+01 
1.56  5.640116809e+01 
1.58  5.175528292e+01 
1.60  4.743405610e+01 
1.62  4.341634286e+01 
1.64  3.968232040e+01 
1.66  3.621340750e+01 
1.68  3.299218889e+01 
1.70  3.000234417e+01 
1.72  2.722858095e+01 
1.74  2.465657194e+01 
1.76  2.227289587e+01 
1.78  2.006498185e+01 
1.80  1.802105719e+01 
1.82  1.613009819e+01 
1.84  1.438178408e+01 
1.86  1.276645351e+01 
1.88  1.127506386e+01 
1.90  9.899152892e+00 
1.92  8.630802717e+00 
1.94  7.462606002e+00 
1.96  6.387634175e+00 
1.98  5.399407573e+00 
2.00  4.491867405e+00 
2.02  3.659349418e+00 
2.04  2.896559167e+00 
2.06  2.198548798e+00 
2.08  1.560695243e+00 
2.10  9.786797580e-01 
2.12  4.484687121e-01 
2.14 -3.370444457e-02 
2.16 -4.713560999e-01 
2.18 -8.677683569e-01 
2.20 -1.226003929e+00 
2.22 -1.548920115e+00 
2.24 -1.839181901e+00 
2.26 -2.099274257e+00 
2.28 -2.331513654e+00 
2.30 -2.538058872e+00 
2.32 -2.720921122e+00 
2.34 -2.881973537e+00 
2.36 -3.022960054e+00 
2.38 -3.145503745e+00 
2.40 -3.251114604e+00 
2.42 -3.341196839e+00 
2.44 -3.417055699e+00 
2.46 -3.479903843e+00 
2.48 -3.530867304e+00 
2.50 -3.570991045e+00 
2.52 -3.601244151e+00 
2.54 -3.622524657e+00 
2.56 -3.635664050e+00 
2.58 -3.641431440e+00 
2.60 -3.640537445e+00 
2.62 -3.633637775e+00 
2.64 -3.621336563e+00 
2.66 -3.604189427e+00 
2.68 -3.582706311e+00 
2.70 -3.557354109e+00 
2.72 -3.528559098e+00 
2.74 -3.496709207e+00 
2.76 -3.462156161e+00 
2.78 -3.425217525e+00 
2.80 -3.386178700e+00 
2.82 -3.345294895e+00 
2.84 -3.302793151e+00 
2.86 -3.258874415e+00 
2.88 -3.213715736e+00 
2.90 -3.167472574e+00 
2.92 -3.120281252e+00 
2.94 -3.072261500e+00 
2.96 -3.023519087e+00 
2.98 -2.974148453e+00 
3.00 -2.924235266e+00 
3.02 -2.873858815e+00 
3.04 -2.823094139e+00 
3.06 -2.772013815e+00 
3.08 -2.720689323e+00 
3.10 -2.669191974e+00 
3.12 -2.617593373e+00 
3.14 -2.565965468e+00 
3.16 -2.514380235e+00 
3.18 -2.462909088e+00 
3.20 -2.411622101e+00 
3.22 -2.360587162e+00 
3.24 -2.309869132e+00 
3.26 -2.259529093e+00 
3.28 -2.209623745e+00 
3.30 -2.160204975e+00 
3.32 -2.111319624e+00 
3.34 -2.063009421e+00 
3.36 -2.015311087e+00 
3.38 -1.968256553e+00 
3.40 -1.921873270e+00 
3.42 -1.876184573e+00 
3.44 -1.831210058e+00 
3.46 -1.786965960e+00 
3.48 -1.743465512e+00 
3.50 -1.700719262e+00 
3.52 -1.658735361e+00 
3.54 -1.617519816e+00 
3.56 -1.577076707e+00 
3.58 -1.537408375e+00 
3.60 -1.498515594e+00 
3.62 -1.460397713e+00 
3.64 -1.423052796e+00 
3.66 -1.386477739e+00 
3.68 -1.350668381e+00 
3.70 -1.315619609e+00 
3.72 -1.281325447e+00 
3.74 -1.247779147e+00 
3.76 -1.214973271e+00 
3.78 -1.182899758e+00 
3.80 -1.151550002e+00 
3.82 -1.120914907e+00 
3.84 -1.090984955e+00 
3.86 -1.061750251e+00 
3.88 -1.033200579e+00 
3.90 -1.005325448e+00 
3.92 -9.781141304e-01 
3.94 -9.515557054e-01 
3.96 -9.256390930e-01 
3.98 -9.003530874e-01 
4.00 -8.756863871e-01 
4.02 -8.516276226e-01 
4.04 -8.281653824e-01 
4.06 -8.052882354e-01 
4.08 -7.829847525e-01 
4.10 -7.612435258e-01 
4.12 -7.400531862e-01 
4.14 -7.194024190e-01 
4.16 -6.992799787e-01 
4.18 -6.796747015e-01 
4.20 -6.605755176e-01 
4.22 -6.419714610e-01 
4.24 -6.238516795e-01 
4.26 -6.062054425e-01 
4.28 -5.890221491e-01 
4.30 -5.722913339e-01 
4.32 -5.560026732e-01 
4.34 -5.401459897e-01 
4.36 -5.247112570e-01 
4.38 -5.096886033e-01 
4.40 -4.950683142e-01 
4.42 -4.808408353e-01 
4.44 -4.669967745e-01 
4.46 -4.535269033e-01 
4.48 -4.404221582e-01 
4.50 -4.276736413e-01 
4.52 -4.152726209e-01 
4.54 -4.032105315e-01 
4.56 -3.914789738e-01 
4.58 -3.800697141e-01 
4.60 -3.689746839e-01 
4.62 -3.581859788e-01 
4.64 -3.476958574e-01 
4.66 -3.374967402e-01 
4.68 -3.275812083e-01 
4.70 -3.179420016e-01 
4.72 -3.085720171e-01 
4.74 -2.994643076e-01 
4.76 -2.906120791e-01 
4.78 -2.820086895e-01 
4.80 -2.736476459e-01 
4.82 -2.655226031e-01 
4.84 -2.576273610e-01 
4.86 -2.499558627e-01 
4.88 -2.425021918e-01 
4.90 -2.352605704e-01 
4.92 -2.282253570e-01 
4.94 -2.213910436e-01 
4.96 -2.147522538e-01 
4.98 -2.083037400e-01 
5.00 -2.020403816e-01 
5.02 -1.959571820e-01 
5.04 -1.900492668e-01 
5.06 -1.843118809e-01 
5.08 -1.787403865e-01 
5.10 -1.733302608e-01 
5.12 -1.680770932e-01 
5.14 -1.629765836e-01 
5.16 -1.580245396e-01 
5.18 -1.532168746e-01 
5.20 -1.485496054e-01 
5.22 -1.440188499e-01 
5.24 -1.396208249e-01 
5.26 -1.353518442e-01 
5.28 -1.312083162e-01 
5.30 -1.271867419e-01 
5.32 -1.232837126e-01 
5.34 -1.194959084e-01 
5.36 -1.158200956e-01 
5.38 -1.122531248e-01 
5.40 -1.087919295e-01 
5.42 -1.054335234e-01 
5.44 -1.021749991e-01 
5.46 -9.901352591e-02 
5.48 -9.594634835e-02 
5.50 -9.297078401e-02 
5.52 -9.008422204e-02 
5.54 -8.728412134e-02 
5.56 -8.456800888e-02 
5.58 -8.193347810e-02 
5.60 -7.937818722e-02 
5.62 -7.689985769e-02 
5.64 -7.449627263e-02 
5.66 -7.216527531e-02 
5.68 -6.990476765e-02 
5.70 -6.771270875e-02 
5.72 -6.558711350e-02 
5.74 -6.352605111e-02 
5.76 -6.152764383e-02 
5.78 -5.959006553e-02 
5.80 -5.771154044e-02 
5.82 -5.589034185e-02 
5.84 -5.412479085e-02 
5.86 -5.241325513e-02 
5.88 -5.075414775e-02 
5.90 -4.914592600e-02 
5.92 -4.745675686e-02 
5.94 -4.407182566e-02 
5.96 -3.513392946e-02 
5.98 -1.730581905e-02 
6.00 -1.011564313e-23