# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2002--Mishin-Y-Mehl-M-J-Papaconstantopoulos-D-A--Ni-Al
# implementation = 2002--Mishin-Y--Ni-Al--LAMMPS--ipr1
# composition = Al2Ni
# 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  1.847626066e+03 
0.92  1.688068413e+03 
0.94  1.542945782e+03 
0.96  1.411178112e+03 
0.98  1.292344269e+03 
1.00  1.184678651e+03 
1.02  1.085838350e+03 
1.04  9.943582970e+02 
1.06  9.099522365e+02 
1.08  8.326931670e+02 
1.10  7.620369042e+02 
1.12  6.971029441e+02 
1.14  6.373686804e+02 
1.16  5.826573518e+02 
1.18  5.328510798e+02 
1.20  4.876639156e+02 
1.22  4.463994454e+02 
1.24  4.081967641e+02 
1.26  3.724900381e+02 
1.28  3.391757026e+02 
1.30  3.084214249e+02 
1.32  2.803488077e+02 
1.34  2.548165197e+02 
1.36  2.315536739e+02 
1.38  2.102683184e+02 
1.40  1.906370036e+02 
1.42  1.723524512e+02 
1.44  1.552068351e+02 
1.46  1.391496525e+02 
1.48  1.242061720e+02 
1.50  1.103462135e+02 
1.52  9.746763579e+01 
1.54  8.547236648e+01 
1.56  7.428183076e+01 
1.58  6.381204114e+01 
1.60  5.401082452e+01 
1.62  4.491458435e+01 
1.64  3.671579973e+01 
1.66  3.010469097e+01 
1.68  2.481795764e+01 
1.70  2.051713217e+01 
1.72  1.697460317e+01 
1.74  1.402589391e+01 
1.76  1.154314186e+01 
1.78  9.431108358e+00 
1.80  7.622674597e+00 
1.82  6.071822050e+00 
1.84  4.746902931e+00 
1.86  3.625713642e+00 
1.88  2.690369473e+00 
1.90  1.920883512e+00 
1.92  1.291372531e+00 
1.94  7.706046729e-01 
1.96  3.254807695e-01 
1.98 -7.338768079e-02 
2.00 -4.453666334e-01 
2.02 -7.975771170e-01 
2.04 -1.129016151e+00 
2.06 -1.436482184e+00 
2.08 -1.718805741e+00 
2.10 -1.978113618e+00 
2.12 -2.218909339e+00 
2.14 -2.445768717e+00 
2.16 -2.660950915e+00 
2.18 -2.863540204e+00 
2.20 -3.050299574e+00 
2.22 -3.217548791e+00 
2.24 -3.362908658e+00 
2.26 -3.486087640e+00 
2.28 -3.588602692e+00 
2.30 -3.672933057e+00 
2.32 -3.741666786e+00 
2.34 -3.797006213e+00 
2.36 -3.840695784e+00 
2.38 -3.874032281e+00 
2.40 -3.897980473e+00 
2.42 -3.913374038e+00 
2.44 -3.920958022e+00 
2.46 -3.921398785e+00 
2.48 -3.915299008e+00 
2.50 -3.903212381e+00 
2.52 -3.885653766e+00 
2.54 -3.863103954e+00 
2.56 -3.836010718e+00 
2.58 -3.804788634e+00 
2.60 -3.769818957e+00 
2.62 -3.731445472e+00 
2.64 -3.689970377e+00 
2.66 -3.645653452e+00 
2.68 -3.598711362e+00 
2.70 -3.549317895e+00 
2.72 -3.497606971e+00 
2.74 -3.443681027e+00 
2.76 -3.387626870e+00 
2.78 -3.329538907e+00 
2.80 -3.269547017e+00 
2.82 -3.207846834e+00 
2.84 -3.144734691e+00 
2.86 -3.080649229e+00 
2.88 -3.016206567e+00 
2.90 -2.952192691e+00 
2.92 -2.889473616e+00 
2.94 -2.828823988e+00 
2.96 -2.770740371e+00 
2.98 -2.715336511e+00 
3.00 -2.662372999e+00 
3.02 -2.611386546e+00 
3.04 -2.561846224e+00 
3.06 -2.513274208e+00 
3.08 -2.465305731e+00 
3.10 -2.417699568e+00 
3.12 -2.370320503e+00 
3.14 -2.323096590e+00 
3.16 -2.275956299e+00 
3.18 -2.228811411e+00 
3.20 -2.181557218e+00 
3.22 -2.134074770e+00 
3.24 -2.086236331e+00 
3.26 -2.037915772e+00 
3.28 -1.989006016e+00 
3.30 -1.939445319e+00 
3.32 -1.889252657e+00 
3.34 -1.838568885e+00 
3.36 -1.787694366e+00 
3.38 -1.737107029e+00 
3.40 -1.687441622e+00 
3.42 -1.639417750e+00 
3.44 -1.593723674e+00 
3.46 -1.550887642e+00 
3.48 -1.511181804e+00 
3.50 -1.474592697e+00 
3.52 -1.440862153e+00 
3.54 -1.409573744e+00 
3.56 -1.380249365e+00 
3.58 -1.352428889e+00 
3.60 -1.325721828e+00 
3.62 -1.299832991e+00 
3.64 -1.274570268e+00 
3.66 -1.249842162e+00 
3.68 -1.225625596e+00 
3.70 -1.201909108e+00 
3.72 -1.178681302e+00 
3.74 -1.155930827e+00 
3.76 -1.133646390e+00 
3.78 -1.111816767e+00 
3.80 -1.090430810e+00 
3.82 -1.069477456e+00 
3.84 -1.048945725e+00 
3.86 -1.028824724e+00 
3.88 -1.009103646e+00 
3.90 -9.897717646e-01 
3.92 -9.708184292e-01 
3.94 -9.522330561e-01 
3.96 -9.340051187e-01 
3.98 -9.161241318e-01 
4.00 -8.985796396e-01 
4.02 -8.813611923e-01 
4.04 -8.644583270e-01 
4.06 -8.478605400e-01 
4.08 -8.315572594e-01 
4.10 -8.155378087e-01 
4.12 -7.997913697e-01 
4.14 -7.843069398e-01 
4.16 -7.690732800e-01 
4.18 -7.540788606e-01 
4.20 -7.393117979e-01 
4.22 -7.247597821e-01 
4.24 -7.104099994e-01 
4.26 -6.962490416e-01 
4.28 -6.822628102e-01 
4.30 -6.684364059e-01 
4.32 -6.547540141e-01 
4.34 -6.411987776e-01 
4.36 -6.277526649e-01 
4.38 -6.143963382e-01 
4.40 -6.011090204e-01 
4.42 -5.878683814e-01 
4.44 -5.746504452e-01 
4.46 -5.614295530e-01 
4.48 -5.481783923e-01 
4.50 -5.348681475e-01 
4.52 -5.214688130e-01 
4.54 -5.079497361e-01 
4.56 -4.942804710e-01 
4.58 -4.804320347e-01 
4.60 -4.663786654e-01 
4.62 -4.521001673e-01 
4.64 -4.375849004e-01 
4.66 -4.228333843e-01 
4.68 -4.078623697e-01 
4.70 -3.927090238e-01 
4.72 -3.774346499e-01 
4.74 -3.621271044e-01 
4.76 -3.469009031e-01 
4.78 -3.318940446e-01 
4.80 -3.172609001e-01 
4.82 -3.031612400e-01 
4.84 -2.897464258e-01 
4.86 -2.771447592e-01 
4.88 -2.654485585e-01 
4.90 -2.547054060e-01 
4.92 -2.449151503e-01 
4.94 -2.360329058e-01 
4.96 -2.279769702e-01 
4.98 -2.206397113e-01 
5.00 -2.138992601e-01 
5.02 -2.076302102e-01 
5.04 -2.017121955e-01 
5.06 -1.960359273e-01 
5.08 -1.905068214e-01 
5.10 -1.850466685e-01 
5.12 -1.795939169e-01 
5.14 -1.741031124e-01 
5.16 -1.685439307e-01 
5.18 -1.628990439e-01 
5.20 -1.571561824e-01 
5.22 -1.513032360e-01 
5.24 -1.453282972e-01 
5.26 -1.392200801e-01 
5.28 -1.329684790e-01 
5.30 -1.265652885e-01 
5.32 -1.200051054e-01 
5.34 -1.132864224e-01 
5.36 -1.064129032e-01 
5.38 -9.939480302e-02 
5.40 -9.225045506e-02 
5.42 -8.500769532e-02 
5.44 -7.770503683e-02 
5.46 -7.039235251e-02 
5.48 -6.313079141e-02 
5.50 -5.599165982e-02 
5.52 -4.905407103e-02 
5.54 -4.240131319e-02 
5.56 -3.611609887e-02 
5.58 -3.027510779e-02 
5.60 -2.494345097e-02 
5.62 -2.016978526e-02 
5.64 -1.598285798e-02 
5.66 -1.238991693e-02 
5.68 -9.377119096e-03 
5.70 -6.911903849e-03 
5.72 -4.946790602e-03 
5.74 -3.423968291e-03 
5.76 -2.280031331e-03 
5.78 -1.450325522e-03 
5.80 -8.725462325e-04 
5.82 -4.894135517e-04 
5.84 -2.504579020e-04 
5.86 -1.129889451e-04 
5.88 -4.233224878e-05 
5.90 -1.171490701e-05 
5.92 -1.801825573e-06 
5.94 -5.158201849e-08 
5.96 -5.329185010e-12 
5.98 -5.329185010e-12 
6.00 -5.329185010e-12