# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti
# implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1
# composition = Co2Cr
# 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 2024-03-01

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 -4.581789332e+02 
0.92 -4.260495757e+02 
0.94 -3.964381953e+02 
0.96 -3.688037933e+02 
0.98 -3.437451784e+02 
1.00 -3.214605361e+02 
1.02 -3.013032248e+02 
1.04 -2.824983613e+02 
1.06 -2.647783039e+02 
1.08 -2.482740113e+02 
1.10 -2.327484845e+02 
1.12 -2.178150108e+02 
1.14 -2.033647503e+02 
1.16 -1.894392796e+02 
1.18 -1.763215701e+02 
1.20 -1.644058461e+02 
1.22 -1.538110638e+02 
1.24 -1.442904997e+02 
1.26 -1.355485069e+02 
1.28 -1.274222877e+02 
1.30 -1.197912251e+02 
1.32 -1.125323556e+02 
1.34 -1.055409180e+02 
1.36 -9.883342745e+01 
1.38 -9.250374035e+01 
1.40 -8.654709312e+01 
1.42 -8.082028368e+01 
1.44 -7.519353362e+01 
1.46 -6.959417314e+01 
1.48 -6.401151728e+01 
1.50 -5.847716479e+01 
1.52 -5.304272994e+01 
1.54 -4.773675499e+01 
1.56 -4.252576139e+01 
1.58 -3.732132351e+01 
1.60 -3.205479223e+01 
1.62 -2.674697393e+01 
1.64 -2.150072745e+01 
1.66 -1.642043028e+01 
1.68 -1.161322600e+01 
1.70 -7.657490103e+00 
1.72 -4.797711891e+00 
1.74 -2.801319118e+00 
1.76 -1.469847106e+00 
1.78 -6.326087663e-01 
1.80 -1.493529968e-01 
1.82  9.083682712e-02 
1.84  1.767743953e-01 
1.86  1.780077429e-01 
1.88  1.269277609e-01 
1.90  8.996422487e-03 
1.92 -1.905294685e-01 
1.94 -4.539086268e-01 
1.96 -7.484243236e-01 
1.98 -1.047607551e+00 
2.00 -1.333561480e+00 
2.02 -1.597756588e+00 
2.04 -1.838558570e+00 
2.06 -2.059072147e+00 
2.08 -2.262750964e+00 
2.10 -2.452272818e+00 
2.12 -2.629761047e+00 
2.14 -2.796088982e+00 
2.16 -2.950639059e+00 
2.18 -3.091462780e+00 
2.20 -3.215185078e+00 
2.22 -3.319520986e+00 
2.24 -3.404972157e+00 
2.26 -3.472904204e+00 
2.28 -3.524970977e+00 
2.30 -3.563084004e+00 
2.32 -3.589410695e+00 
2.34 -3.605863650e+00 
2.36 -3.614027339e+00 
2.38 -3.615138630e+00 
2.40 -3.609958448e+00 
2.42 -3.599073641e+00 
2.44 -3.583097015e+00 
2.46 -3.562641329e+00 
2.48 -3.538423657e+00 
2.50 -3.511215213e+00 
2.52 -3.481180000e+00 
2.54 -3.448037781e+00 
2.56 -3.411465716e+00 
2.58 -3.371244666e+00 
2.60 -3.327510091e+00 
2.62 -3.280540279e+00 
2.64 -3.230685188e+00 
2.66 -3.178311182e+00 
2.68 -3.123728012e+00 
2.70 -3.067251424e+00 
2.72 -3.009221441e+00 
2.74 -2.949901781e+00 
2.76 -2.889515608e+00 
2.78 -2.828320380e+00 
2.80 -2.766622201e+00 
2.82 -2.704686515e+00 
2.84 -2.642663336e+00 
2.86 -2.580533824e+00 
2.88 -2.518084597e+00 
2.90 -2.455005440e+00 
2.92 -2.391153334e+00 
2.94 -2.326384724e+00 
2.96 -2.260434499e+00 
2.98 -2.192998803e+00 
3.00 -2.123990560e+00 
3.02 -2.053627445e+00 
3.04 -1.982356343e+00 
3.06 -1.910674387e+00 
3.08 -1.839063124e+00 
3.10 -1.767994196e+00 
3.12 -1.697994405e+00 
3.14 -1.629630075e+00 
3.16 -1.563463548e+00 
3.18 -1.500004075e+00 
3.20 -1.439599707e+00 
3.22 -1.382386538e+00 
3.24 -1.328347599e+00 
3.26 -1.277339639e+00 
3.28 -1.229108635e+00 
3.30 -1.183317579e+00 
3.32 -1.139584899e+00 
3.34 -1.097529326e+00 
3.36 -1.056837502e+00 
3.38 -1.017294261e+00 
3.40 -9.787964795e-01 
3.42 -9.413999027e-01 
3.44 -9.052153529e-01 
3.46 -8.703596886e-01 
3.48 -8.369286333e-01 
3.50 -8.049790197e-01 
3.52 -7.745221047e-01 
3.54 -7.455256075e-01 
3.56 -7.179228729e-01 
3.58 -6.916287685e-01 
3.60 -6.665558250e-01 
3.62 -6.426149067e-01 
3.64 -6.197153536e-01 
3.66 -5.977782412e-01 
3.68 -5.767294860e-01 
3.70 -5.564931569e-01 
3.72 -5.369912528e-01 
3.74 -5.181438304e-01 
3.76 -4.998687700e-01 
3.78 -4.820818326e-01 
3.80 -4.646965957e-01 
3.82 -4.476242421e-01 
3.84 -4.307736195e-01 
3.86 -4.140553972e-01 
3.88 -3.974152555e-01 
3.90 -3.808176825e-01 
3.92 -3.642272704e-01 
3.94 -3.476192202e-01 
3.96 -3.309887541e-01 
3.98 -3.143356019e-01 
4.00 -2.976618064e-01 
4.02 -2.809720197e-01 
4.04 -2.642738497e-01 
4.06 -2.475774118e-01 
4.08 -2.308959954e-01 
4.10 -2.142457597e-01 
4.12 -1.976456628e-01 
4.14 -1.811120774e-01 
4.16 -1.646547376e-01 
4.18 -1.482856386e-01 
4.20 -1.320254938e-01 
4.22 -1.159293205e-01 
4.24 -1.000626913e-01 
4.26 -8.476207887e-02 
4.28 -7.082269603e-02 
4.30 -5.885590445e-02 
4.32 -4.922099436e-02 
4.34 -4.203742399e-02 
4.36 -3.720559984e-02 
4.38 -3.443708040e-02 
4.40 -3.329282286e-02 
4.42 -3.322938550e-02 
4.44 -3.365063897e-02 
4.46 -3.396296475e-02 
4.48 -3.362990948e-02 
4.50 -3.222283468e-02 
4.52 -2.946747178e-02 
4.54 -2.532199041e-02 
4.56 -1.995589363e-02 
4.58 -1.367013507e-02 
4.60 -6.836551236e-03 
4.62  1.613243878e-04 
4.64  6.981331127e-03 
4.66  1.336057853e-02 
4.68  1.913325107e-02 
4.70  2.422806393e-02 
4.72  2.864986799e-02 
4.74  3.245331096e-02 
4.76  3.571728896e-02 
4.78  3.853355656e-02 
4.80  4.099099654e-02 
4.82  4.315635563e-02 
4.84  4.508016057e-02 
4.86  4.679886948e-02 
4.88  4.833581612e-02 
4.90  4.970183055e-02 
4.92  5.089639354e-02 
4.94  5.190914776e-02 
4.96  5.272699631e-02 
4.98  5.335397850e-02 
5.00  5.378885588e-02 
5.02  5.402320332e-02 
5.04  5.404489194e-02 
5.06  5.383963056e-02 
5.08  5.338969637e-02 
5.10  5.267562198e-02 
5.12  5.167927620e-02 
5.14  5.038660711e-02 
5.16  4.879054618e-02 
5.18  4.689340598e-02 
5.20  4.470856887e-02 
5.22  4.226201245e-02 
5.24  3.959371445e-02 
5.26  3.675228020e-02 
5.28  3.379067960e-02 
5.30  3.076304070e-02 
5.32  2.772209131e-02 
5.34  2.471691955e-02 
5.36  2.179168178e-02 
5.38  1.898504295e-02 
5.40  1.633021650e-02 
5.42  1.385510284e-02 
5.44  1.158230903e-02 
5.46  9.529155929e-03 
5.48  7.707239601e-03 
5.50  6.122593944e-03 
5.52  4.775830366e-03 
5.54  3.658483364e-03 
5.56  2.748631910e-03 
5.58  2.021166415e-03 
5.60  1.450526891e-03 
5.62  1.011978489e-03 
5.64  6.823876633e-04 
5.66  4.410426703e-04 
5.68  2.697951880e-04 
5.70  1.531442789e-04 
5.72  7.801002198e-05 
5.74  3.352853839e-05 
5.76  1.063418261e-05 
5.78  1.680873180e-06 
5.80 -5.972049981e-10 
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