# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2021--Arora-G-Bonny-G-Castin-N-Aidhy-D-S--Fe-Ni-Cr-Pd
# implementation = 2021--Arora-G--Fe-Ni-Cr-Pd--LAMMPS--ipr1
# composition = Cr2Pd
# 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 2024-11-27

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  1.419742955e+04 
0.90  1.284297406e+04 
0.92  1.161412024e+04 
0.94  1.049998278e+04 
0.96  9.488756152e+03 
0.98  8.567583520e+03 
1.00  7.722864985e+03 
1.02  6.943643973e+03 
1.04  6.223728010e+03 
1.06  5.557739274e+03 
1.08  4.940758435e+03 
1.10  4.368518037e+03 
1.12  3.837115791e+03 
1.14  3.342165629e+03 
1.16  2.880148463e+03 
1.18  2.448226690e+03 
1.20  2.049743479e+03 
1.22  1.716374260e+03 
1.24  1.441774332e+03 
1.26  1.214769382e+03 
1.28  1.026522705e+03 
1.30  8.699810281e+02 
1.32  7.395000157e+02 
1.34  6.305576843e+02 
1.36  5.395354503e+02 
1.38  4.630556306e+02 
1.40  3.981366235e+02 
1.42  3.427797878e+02 
1.44  2.954469615e+02 
1.46  2.548741179e+02 
1.48  2.200203602e+02 
1.50  1.900094040e+02 
1.52  1.640774994e+02 
1.54  1.415651821e+02 
1.56  1.219476937e+02 
1.58  1.048283651e+02 
1.60  8.988116757e+01 
1.62  7.682254839e+01 
1.64  6.539747068e+01 
1.66  5.538762896e+01 
1.68  4.660932721e+01 
1.70  3.891331450e+01 
1.72  3.217448981e+01 
1.74  2.628717160e+01 
1.76  2.116197942e+01 
1.78  1.672342766e+01 
1.80  1.290860322e+01 
1.82  9.665292721e+00 
1.84  6.950870398e+00 
1.86  4.730258745e+00 
1.88  2.974133912e+00 
1.90  1.658100236e+00 
1.92  7.532813584e-01 
1.94  1.479572004e-01 
1.96 -3.108423718e-01 
1.98 -6.983785802e-01 
2.00 -1.025039664e+00 
2.02 -1.298533748e+00 
2.04 -1.525744315e+00 
2.06 -1.712638642e+00 
2.08 -1.864543836e+00 
2.10 -1.986270573e+00 
2.12 -2.082208966e+00 
2.14 -2.156550605e+00 
2.16 -2.213540114e+00 
2.18 -2.257057301e+00 
2.20 -2.290322696e+00 
2.22 -2.315954095e+00 
2.24 -2.335950460e+00 
2.26 -2.352024472e+00 
2.28 -2.365750068e+00 
2.30 -2.378597517e+00 
2.32 -2.391947460e+00 
2.34 -2.407080385e+00 
2.36 -2.424835778e+00 
2.38 -2.445597828e+00 
2.40 -2.468707318e+00 
2.42 -2.492514437e+00 
2.44 -2.515300043e+00 
2.46 -2.535344741e+00 
2.48 -2.551639892e+00 
2.50 -2.563891040e+00 
2.52 -2.571814328e+00 
2.54 -2.575106977e+00 
2.56 -2.573452055e+00 
2.58 -2.566630303e+00 
2.60 -2.554512708e+00 
2.62 -2.537153299e+00 
2.64 -2.514859197e+00 
2.66 -2.487949002e+00 
2.68 -2.456735835e+00 
2.70 -2.421544191e+00 
2.72 -2.382723943e+00 
2.74 -2.340709723e+00 
2.76 -2.295955495e+00 
2.78 -2.248941045e+00 
2.80 -2.200204335e+00 
2.82 -2.150289031e+00 
2.84 -2.099736920e+00 
2.86 -2.049087981e+00 
2.88 -1.998820883e+00 
2.90 -1.949210567e+00 
2.92 -1.900455033e+00 
2.94 -1.852743699e+00 
2.96 -1.806256263e+00 
2.98 -1.761169900e+00 
3.00 -1.717660273e+00 
3.02 -1.675867332e+00 
3.04 -1.635792798e+00 
3.06 -1.597402496e+00 
3.08 -1.560650331e+00 
3.10 -1.525435286e+00 
3.12 -1.491637583e+00 
3.14 -1.459145110e+00 
3.16 -1.427902282e+00 
3.18 -1.397876327e+00 
3.20 -1.369034905e+00 
3.22 -1.341346057e+00 
3.24 -1.314778207e+00 
3.26 -1.289300169e+00 
3.28 -1.264881145e+00 
3.30 -1.241489467e+00 
3.32 -1.219057571e+00 
3.34 -1.197477500e+00 
3.36 -1.176639513e+00 
3.38 -1.156435549e+00 
3.40 -1.136777426e+00 
3.42 -1.117592445e+00 
3.44 -1.098808678e+00 
3.46 -1.080354571e+00 
3.48 -1.062158937e+00 
3.50 -1.044150953e+00 
3.52 -1.026260153e+00 
3.54 -1.008416423e+00 
3.56 -9.905499952e-01 
3.58 -9.725914458e-01 
3.60 -9.544716814e-01 
3.62 -9.361219410e-01 
3.64 -9.174756015e-01 
3.66 -8.984821835e-01 
3.68 -8.791043139e-01 
3.70 -8.593544531e-01 
3.72 -8.392752305e-01 
3.74 -8.189099763e-01 
3.76 -7.983022985e-01 
3.78 -7.774960746e-01 
3.80 -7.565354489e-01 
3.82 -7.354648137e-01 
3.84 -7.143287924e-01 
3.86 -6.931722617e-01 
3.88 -6.720402800e-01 
3.90 -6.509781315e-01 
3.92 -6.300312872e-01 
3.94 -6.092453483e-01 
3.96 -5.886660778e-01 
3.98 -5.683393599e-01 
4.00 -5.483111584e-01 
4.02 -5.286274810e-01 
4.04 -5.093343441e-01 
4.06 -4.904716821e-01 
4.08 -4.720492394e-01 
4.10 -4.540672201e-01 
4.12 -4.365255066e-01 
4.14 -4.194237135e-01 
4.16 -4.027614058e-01 
4.18 -3.865367209e-01 
4.20 -3.707471321e-01 
4.22 -3.553909879e-01 
4.24 -3.404613976e-01 
4.26 -3.259562389e-01 
4.28 -3.118596905e-01 
4.30 -2.981638229e-01 
4.32 -2.848381846e-01 
4.34 -2.718785287e-01 
4.36 -2.592372893e-01 
4.38 -2.468893338e-01 
4.40 -2.348490446e-01 
4.42 -2.226730211e-01 
4.44 -2.105956303e-01 
4.46 -1.992408007e-01 
4.48 -1.890675250e-01 
4.50 -1.804561261e-01 
4.52 -1.718483054e-01 
4.54 -1.619280286e-01 
4.56 -1.500120633e-01 
4.58 -1.359710486e-01 
4.60 -1.199189063e-01 
4.62 -1.028110934e-01 
4.64 -8.583464130e-02 
4.66 -6.967758782e-02 
4.68 -5.476282936e-02 
4.70 -4.132344808e-02 
4.72 -2.945395671e-02 
4.74 -1.919776200e-02 
4.76 -1.056880530e-02 
4.78 -3.504369266e-03 
4.80  2.106820929e-03 
4.82  6.402976932e-03 
4.84  9.534725899e-03 
4.86  1.165595479e-02 
4.88  1.291855791e-02 
4.90  1.346729864e-02 
4.92  1.343661838e-02 
4.94  1.295566769e-02 
4.96  1.214986941e-02 
4.98  1.114203486e-02 
5.00  1.005336692e-02 
5.02  8.985602822e-03 
5.04  7.965662023e-03 
5.06  7.001558204e-03 
5.08  6.101110603e-03 
5.10  5.272045829e-03 
5.12  4.520120274e-03 
5.14  3.843321393e-03 
5.16  3.237695131e-03 
5.18  2.699287453e-03 
5.20  2.224144325e-03 
5.22  1.808311712e-03 
5.24  1.447835580e-03 
5.26  1.138761894e-03 
5.28  8.771366211e-04 
5.30  6.590057259e-04 
5.32  4.804151742e-04 
5.34  3.374109316e-04 
5.36  2.260389640e-04 
5.38  1.423452368e-04 
5.40  8.237571573e-05 
5.42  4.217636646e-05 
5.44  1.779315460e-05 
5.46  5.272045808e-06 
5.48  6.590057264e-07 
5.50  6.254857202e-11 
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