# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2020--Wang-J-Oh-S-H-Lee-B-J--Cu-Mo
# implementation = 2020--Wang-J--Cu-Mo--LAMMPS--ipr1
# composition = CuMo2
# 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  nan             
0.90  nan             
0.92  nan             
0.94  nan             
0.96  nan             
0.98  nan             
1.00  nan             
1.02  nan             
1.04  8.181172358e+02 
1.06  7.616210669e+02 
1.08  7.088358955e+02 
1.10  6.595253571e+02 
1.12  6.134678100e+02 
1.14  5.704554345e+02 
1.16  5.302933868e+02 
1.18  4.927990035e+02 
1.20  4.578010542e+02 
1.22  4.251390392e+02 
1.24  3.946625301e+02 
1.26  3.662305495e+02 
1.28  3.397109888e+02 
1.30  3.149800612e+02 
1.32  2.919217879e+02 
1.34  2.704275153e+02 
1.36  2.503954618e+02 
1.38  2.317302917e+02 
1.40  2.143427162e+02 
1.42  1.981491169e+02 
1.44  1.830711942e+02 
1.46  1.690356356e+02 
1.48  1.559738054e+02 
1.50  1.438214526e+02 
1.52  1.325184372e+02 
1.54  1.220084732e+02 
1.56  1.122388872e+02 
1.58  1.031603916e+02 
1.60  9.472687276e+01 
1.62  8.689519082e+01 
1.64  7.962499301e+01 
1.66  7.287853784e+01 
1.68  6.662053037e+01 
1.70  6.081796765e+01 
1.72  5.543999369e+01 
1.74  5.045776347e+01 
1.76  4.584431535e+01 
1.78  4.157445143e+01 
1.80  3.762462532e+01 
1.82  3.397283695e+01 
1.84  3.059853387e+01 
1.86  2.748251880e+01 
1.88  2.460686283e+01 
1.90  2.195482422e+01 
1.92  1.951077210e+01 
1.94  1.726011512e+01 
1.96  1.518923446e+01 
1.98  1.328542116e+01 
2.00  1.153681725e+01 
2.02  9.932360762e+00 
2.04  8.461734089e+00 
2.06  7.115315651e+00 
2.08  5.884134622e+00 
2.10  4.759828522e+00 
2.12  3.734603493e+00 
2.14  2.801197109e+00 
2.16  1.952843548e+00 
2.18  1.183240981e+00 
2.20  4.865210395e-01 
2.22 -1.427797568e-01 
2.24 -7.097467576e-01 
2.26 -1.219112218e+00 
2.28 -1.675278732e+00 
2.30 -2.082341159e+00 
2.32 -2.444107149e+00 
2.34 -2.764116332e+00 
2.36 -3.045658288e+00 
2.38 -3.291789345e+00 
2.40 -3.505348299e+00 
2.42 -3.688971118e+00 
2.44 -3.845104691e+00 
2.46 -3.976019692e+00 
2.48 -4.083822606e+00 
2.50 -4.170466980e+00 
2.52 -4.237763943e+00 
2.54 -4.287392041e+00 
2.56 -4.320906436e+00 
2.58 -4.339747514e+00 
2.60 -4.345248921e+00 
2.62 -4.338645090e+00 
2.64 -4.321078275e+00 
2.66 -4.293605127e+00 
2.68 -4.257202846e+00 
2.70 -4.212774931e+00 
2.72 -4.161156559e+00 
2.74 -4.103119613e+00 
2.76 -4.039377377e+00 
2.78 -3.970588934e+00 
2.80 -3.897363262e+00 
2.82 -3.820263068e+00 
2.84 -3.739808361e+00 
2.86 -3.656479783e+00 
2.88 -3.570721708e+00 
2.90 -3.482945130e+00 
2.92 -3.393530338e+00 
2.94 -3.302829387e+00 
2.96 -3.211168390e+00 
2.98 -3.118849549e+00 
3.00 -3.026153120e+00 
3.02 -2.933339663e+00 
3.04 -2.840650566e+00 
3.06 -2.748310272e+00 
3.08 -2.656527332e+00 
3.10 -2.565495515e+00 
3.12 -2.475394783e+00 
3.14 -2.386392110e+00 
3.16 -2.298642178e+00 
3.18 -2.212287946e+00 
3.20 -2.127461096e+00 
3.22 -2.044282387e+00 
3.24 -1.962861897e+00 
3.26 -1.883299203e+00 
3.28 -1.805683484e+00 
3.30 -1.730093577e+00 
3.32 -1.656598007e+00 
3.34 -1.585254990e+00 
3.36 -1.516112448e+00 
3.38 -1.449208039e+00 
3.40 -1.384569215e+00 
3.42 -1.322213341e+00 
3.44 -1.262147860e+00 
3.46 -1.204370539e+00 
3.48 -1.148869783e+00 
3.50 -1.095625037e+00 
3.52 -1.044607261e+00 
3.54 -9.957794855e-01 
3.56 -9.490974423e-01 
3.58 -9.045102525e-01 
3.60 -8.619611712e-01 
3.62 -8.213883704e-01 
3.64 -7.827257485e-01 
3.66 -7.459037509e-01 
3.68 -7.108501867e-01 
3.70 -6.774910291e-01 
3.72 -6.457511838e-01 
3.74 -6.155552156e-01 
3.76 -5.868280212e-01 
3.78 -5.594954413e-01 
3.80 -5.334848053e-01 
3.82 -5.087254033e-01 
3.84 -4.851488856e-01 
3.86 -4.626895869e-01 
3.88 -4.412847784e-01 
3.90 -4.208748504e-01 
3.92 -4.014034298e-01 
3.94 -3.828174373e-01 
3.96 -3.650670912e-01 
3.98 -3.481058647e-01 
4.00 -3.318904021e-01 
4.02 -3.163804025e-01 
4.04 -3.015384775e-01 
4.06 -2.873299883e-01 
4.08 -2.737228700e-01 
4.10 -2.606874474e-01 
4.12 -2.481962476e-01 
4.14 -2.362238140e-01 
4.16 -2.247465245e-01 
4.18 -2.137424176e-01 
4.20 -2.031910286e-01 
4.22 -1.930732362e-01 
4.24 -1.833711228e-01 
4.26 -1.740678467e-01 
4.28 -1.651475278e-01 
4.30 -1.565951466e-01 
4.32 -1.483964542e-01 
4.34 -1.405378954e-01 
4.36 -1.330065406e-01 
4.38 -1.257900289e-01 
4.40 -1.188765183e-01 
4.42 -1.122546443e-01 
4.44 -1.059134842e-01 
4.46 -9.984252729e-02 
4.48 -9.403164948e-02 
4.50 -8.847109148e-02 
4.52 -8.315144036e-02 
4.54 -7.806361343e-02 
4.56 -7.319884415e-02 
4.58 -6.854866964e-02 
4.60 -6.410491940e-02 
4.62 -5.985970501e-02 
4.64 -5.580541057e-02 
4.66 -5.193468380e-02 
4.68 -4.824042754e-02 
4.70 -4.471579167e-02 
4.72 -4.135416536e-02 
4.74 -3.814916954e-02 
4.76 -3.509464964e-02 
4.78 -3.218466855e-02 
4.80 -2.941349974e-02 
4.82 -2.677562056e-02 
4.84 -2.426570577e-02 
4.86 -2.187862119e-02 
4.88 -1.960941750e-02 
4.90 -1.745332429e-02 
4.92 -1.540574418e-02 
4.94 -1.346224713e-02 
4.96 -1.161856493e-02 
4.98 -9.870585819e-03 
5.00 -8.214349254e-03 
5.02 -6.646040855e-03 
5.04 -5.161987472e-03 
5.06 -3.758652405e-03 
5.08 -2.432630768e-03 
5.10 -1.180644989e-03 
5.12  6.128267001e-06 
5.14  1.502730617e-03 
5.16  4.832012395e-03 
5.18  1.121814432e-02 
5.20  1.538866244e-02 
5.22  1.579485908e-02 
5.24  1.616534124e-02 
5.26  1.650178998e-02 
5.28  1.680582090e-02 
5.30  1.707898646e-02 
5.32  1.732277818e-02 
5.34  1.753862883e-02 
5.36  1.772791450e-02 
5.38  1.789195663e-02 
5.40  1.803202397e-02 
5.42  1.814933447e-02 
5.44  1.824505708e-02 
5.46  1.832031355e-02 
5.48  1.837618011e-02 
5.50  1.841368913e-02 
5.52  1.843383072e-02 
5.54  1.843755425e-02 
5.56  1.842576986e-02 
5.58  1.839934987e-02 
5.60  1.835913020e-02 
5.62  1.830591168e-02 
5.64  1.824046135e-02 
5.66  1.816351373e-02 
5.68  1.807577201e-02 
5.70  1.797790920e-02 
5.72  1.787056929e-02 
5.74  1.775436831e-02 
5.76  1.762989538e-02 
5.78  1.749771375e-02 
5.80  1.735836171e-02 
5.82  1.721235363e-02 
5.84  1.706018077e-02 
5.86  1.690231222e-02 
5.88  1.673919573e-02 
5.90  1.657125853e-02 
5.92  1.634426922e-02 
5.94  1.537001911e-02 
5.96  1.202065973e-02 
5.98  5.305542163e-03 
6.00 -1.021229880e-24