# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Xu-Y-Wang-G-Qian-P-Su-Y--Ni-Pd
# implementation = 2022--Xu-Y--Ni-Pd--LAMMPS--ipr1
# composition = Ni2Pd
# 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  6.523679380e+02 
1.06  6.046968770e+02 
1.08  5.610180567e+02 
1.10  5.208866910e+02 
1.12  4.839316065e+02 
1.14  4.498126051e+02 
1.16  4.182311560e+02 
1.18  3.889202454e+02 
1.20  3.616578709e+02 
1.22  3.362370825e+02 
1.24  3.124509868e+02 
1.26  2.901867688e+02 
1.28  2.693729820e+02 
1.30  2.499256415e+02 
1.32  2.317683604e+02 
1.34  2.148411000e+02 
1.36  1.990699576e+02 
1.38  1.843569149e+02 
1.40  1.706161360e+02 
1.42  1.577930464e+02 
1.44  1.458435416e+02 
1.46  1.347150990e+02 
1.48  1.243507960e+02 
1.50  1.146976388e+02 
1.52  1.057160862e+02 
1.54  9.737366505e+01 
1.56  8.926103180e+01 
1.58  8.137015725e+01 
1.60  7.367074347e+01 
1.62  6.650034545e+01 
1.64  5.984632729e+01 
1.66  5.369237968e+01 
1.68  4.801805928e+01 
1.70  4.279788575e+01 
1.72  3.800283856e+01 
1.74  3.360205768e+01 
1.76  2.956974994e+01 
1.78  2.588076909e+01 
1.80  2.250847941e+01 
1.82  1.943070032e+01 
1.84  1.663133434e+01 
1.86  1.409776597e+01 
1.88  1.181666732e+01 
1.90  9.772891269e+00 
1.92  7.951143490e+00 
1.94  6.336704040e+00 
1.96  4.915432711e+00 
1.98  3.673044424e+00 
2.00  2.593933170e+00 
2.02  1.660206521e+00 
2.04  8.505156633e-01 
2.06  1.464230834e-01 
2.08 -4.652530088e-01 
2.10 -9.941048600e-01 
2.12 -1.448529002e+00 
2.14 -1.837497171e+00 
2.16 -2.169994889e+00 
2.18 -2.453825603e+00 
2.20 -2.695361017e+00 
2.22 -2.899903578e+00 
2.24 -3.071984638e+00 
2.26 -3.215333997e+00 
2.28 -3.333345190e+00 
2.30 -3.429031911e+00 
2.32 -3.505027506e+00 
2.34 -3.563684194e+00 
2.36 -3.607139777e+00 
2.38 -3.637517575e+00 
2.40 -3.657035812e+00 
2.42 -3.667933321e+00 
2.44 -3.672072140e+00 
2.46 -3.670648141e+00 
2.48 -3.664165609e+00 
2.50 -3.652604345e+00 
2.52 -3.635833716e+00 
2.54 -3.614039909e+00 
2.56 -3.587750341e+00 
2.58 -3.557470580e+00 
2.60 -3.523643579e+00 
2.62 -3.486659134e+00 
2.64 -3.446880345e+00 
2.66 -3.404661551e+00 
2.68 -3.360345386e+00 
2.70 -3.314250259e+00 
2.72 -3.266647246e+00 
2.74 -3.217734047e+00 
2.76 -3.167625998e+00 
2.78 -3.116379038e+00 
2.80 -3.064038578e+00 
2.82 -3.010706284e+00 
2.84 -2.956591736e+00 
2.86 -2.902026001e+00 
2.88 -2.847390222e+00 
2.90 -2.793005551e+00 
2.92 -2.739045385e+00 
2.94 -2.685497909e+00 
2.96 -2.632197555e+00 
2.98 -2.578911547e+00 
3.00 -2.525389683e+00 
3.02 -2.471390281e+00 
3.04 -2.416676898e+00 
3.06 -2.361049720e+00 
3.08 -2.304408822e+00 
3.10 -2.246840381e+00 
3.12 -2.188702773e+00 
3.14 -2.130657629e+00 
3.16 -2.073582092e+00 
3.18 -2.018348205e+00 
3.20 -1.965572045e+00 
3.22 -1.915509145e+00 
3.24 -1.868053331e+00 
3.26 -1.822823325e+00 
3.28 -1.779298620e+00 
3.30 -1.736957715e+00 
3.32 -1.695409281e+00 
3.34 -1.654501749e+00 
3.36 -1.614225444e+00 
3.38 -1.574590015e+00 
3.40 -1.535617352e+00 
3.42 -1.497341470e+00 
3.44 -1.459806029e+00 
3.46 -1.423059338e+00 
3.48 -1.387148252e+00 
3.50 -1.352113538e+00 
3.52 -1.317987922e+00 
3.54 -1.284799126e+00 
3.56 -1.252574438e+00 
3.58 -1.221339791e+00 
3.60 -1.191117343e+00 
3.62 -1.161923116e+00 
3.64 -1.133764534e+00 
3.66 -1.106638671e+00 
3.68 -1.080532276e+00 
3.70 -1.055422140e+00 
3.72 -1.031275242e+00 
3.74 -1.008048578e+00 
3.76 -9.856906653e-01 
3.78 -9.641478488e-01 
3.80 -9.433669987e-01 
3.82 -9.232961156e-01 
3.84 -9.038851045e-01 
3.86 -8.850867860e-01 
3.88 -8.668585343e-01 
3.90 -8.491647123e-01 
3.92 -8.319767277e-01 
3.94 -8.152685217e-01 
3.96 -7.990191263e-01 
3.98 -7.832188238e-01 
4.00 -7.678752431e-01 
4.02 -7.530157670e-01 
4.04 -7.386822270e-01 
4.06 -7.249165491e-01 
4.08 -7.117416801e-01 
4.10 -6.991461808e-01 
4.12 -6.870795482e-01 
4.14 -6.754592429e-01 
4.16 -6.641850949e-01 
4.18 -6.531553714e-01 
4.20 -6.422809239e-01 
4.22 -6.314970183e-01 
4.24 -6.207682012e-01 
4.26 -6.100787628e-01 
4.28 -5.994254055e-01 
4.30 -5.888132080e-01 
4.32 -5.782523301e-01 
4.34 -5.677549900e-01 
4.36 -5.573325062e-01 
4.38 -5.469923749e-01 
4.40 -5.367348895e-01 
4.42 -5.265508168e-01 
4.44 -5.164271010e-01 
4.46 -5.063517422e-01 
4.48 -4.963139603e-01 
4.50 -4.863041826e-01 
4.52 -4.763140616e-01 
4.54 -4.663364928e-01 
4.56 -4.563656786e-01 
4.58 -4.463971939e-01 
4.60 -4.364280688e-01 
4.62 -4.264568750e-01 
4.64 -4.164838166e-01 
4.66 -4.065107965e-01 
4.68 -3.965414905e-01 
4.70 -3.865813522e-01 
4.72 -3.766376167e-01 
4.74 -3.667192096e-01 
4.76 -3.568366339e-01 
4.78 -3.470017747e-01 
4.80 -3.372276389e-01 
4.82 -3.275280418e-01 
4.84 -3.179172514e-01 
4.86 -3.084095855e-01 
4.88 -2.990190196e-01 
4.90 -2.897587919e-01 
4.92 -2.806410772e-01 
4.94 -2.716767188e-01 
4.96 -2.628749306e-01 
4.98 -2.542442255e-01 
5.00 -2.457926042e-01 
5.02 -2.375264557e-01 
5.04 -2.294496665e-01 
5.06 -2.215639274e-01 
5.08 -2.138689508e-01 
5.10 -2.063627423e-01 
5.12 -1.990418998e-01 
5.14 -1.919019383e-01 
5.16 -1.849375910e-01 
5.18 -1.781431123e-01 
5.20 -1.715125530e-01 
5.22 -1.650399999e-01 
5.24 -1.587197946e-01 
5.26 -1.525467021e-01 
5.28 -1.465160812e-01 
5.30 -1.406239665e-01 
5.32 -1.348671599e-01 
5.34 -1.292433064e-01 
5.36 -1.237509340e-01 
5.38 -1.183894848e-01 
5.40 -1.131593306e-01 
5.42 -1.080617849e-01 
5.44 -1.030991122e-01 
5.46 -9.827454871e-02 
5.48 -9.359232314e-02 
5.50 -8.905770880e-02 
5.52 -8.467695292e-02 
5.54 -8.045627246e-02 
5.56 -7.640090642e-02 
5.58 -7.251485773e-02 
5.60 -6.880068499e-02 
5.62 -6.525930451e-02 
5.64 -6.188966518e-02 
5.66 -5.868862107e-02 
5.68 -5.565114936e-02 
5.70 -5.276994458e-02 
5.72 -5.003534080e-02 
5.74 -4.743530458e-02 
5.76 -4.495549735e-02 
5.78 -4.257948370e-02 
5.80 -4.028914824e-02 
5.82 -3.806513961e-02 
5.84 -3.588764099e-02 
5.86 -3.373779279e-02 
5.88 -3.159805572e-02 
5.90 -2.945400339e-02 
5.92 -2.729634735e-02 
5.94 -2.512234876e-02 
5.96 -2.293690929e-02 
5.98 -2.075305595e-02 
6.00 -1.859155944e-02