# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr
# implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1
# composition = MgTa2
# 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 2024-04-11

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  nan             
1.06  nan             
1.08  nan             
1.10  nan             
1.12  nan             
1.14  5.749072470e+02 
1.16  5.319952728e+02 
1.18  4.924232694e+02 
1.20  4.559113875e+02 
1.22  4.222108552e+02 
1.24  3.910950963e+02 
1.26  3.623543655e+02 
1.28  3.357934848e+02 
1.30  3.112315698e+02 
1.32  2.885026378e+02 
1.34  2.674558854e+02 
1.36  2.479550351e+02 
1.38  2.298771227e+02 
1.40  2.131112002e+02 
1.42  1.975569145e+02 
1.44  1.831227656e+02 
1.46  1.697241999e+02 
1.48  1.572820059e+02 
1.50  1.457214503e+02 
1.52  1.349722764e+02 
1.54  1.249693445e+02 
1.56  1.156534460e+02 
1.58  1.069717772e+02 
1.60  9.887776281e+01 
1.62  9.133027006e+01 
1.64  8.429253025e+01 
1.66  7.773109258e+01 
1.68  7.161501138e+01 
1.70  6.591629340e+01 
1.72  6.061847434e+01 
1.74  5.569765443e+01 
1.76  5.112826508e+01 
1.78  4.688638519e+01 
1.80  4.294971733e+01 
1.82  3.929747404e+01 
1.84  3.591016173e+01 
1.86  3.276978737e+01 
1.88  2.985952093e+01 
1.90  2.716350579e+01 
1.92  2.466671210e+01 
1.94  2.235483369e+01 
1.96  2.021424386e+01 
1.98  1.823201820e+01 
2.00  1.639601515e+01 
2.02  1.469498828e+01 
2.04  1.311869290e+01 
2.06  1.165794431e+01 
2.08  1.030459935e+01 
2.10  9.051460863e+00 
2.12  7.892133827e+00 
2.14  6.820868326e+00 
2.16  5.832418612e+00 
2.18  4.921926605e+00 
2.20  4.084828608e+00 
2.22  3.316773815e+00 
2.24  2.613550697e+00 
2.26  1.971018336e+00 
2.28  1.385046418e+00 
2.30  8.514728224e-01 
2.32  3.660895487e-01 
2.34 -7.532659687e-02 
2.36 -4.766038551e-01 
2.38 -8.419326196e-01 
2.40 -1.175587252e+00 
2.42 -1.481322532e+00 
2.44 -1.762318694e+00 
2.46 -2.021188200e+00 
2.48 -2.259883750e+00 
2.50 -2.479215019e+00 
2.52 -2.679758343e+00 
2.54 -2.862187340e+00 
2.56 -3.027235346e+00 
2.58 -3.175669660e+00 
2.60 -3.308274010e+00 
2.62 -3.425835890e+00 
2.64 -3.529138017e+00 
2.66 -3.618948336e+00 
2.68 -3.696013503e+00 
2.70 -3.761051194e+00 
2.72 -3.814743392e+00 
2.74 -3.857730769e+00 
2.76 -3.890608618e+00 
2.78 -3.913924652e+00 
2.80 -3.928179914e+00 
2.82 -3.933830357e+00 
2.84 -3.931292295e+00 
2.86 -3.920948287e+00 
2.88 -3.903153758e+00 
2.90 -3.878243195e+00 
2.92 -3.846535083e+00 
2.94 -3.808335055e+00 
2.96 -3.763937091e+00 
2.98 -3.713623076e+00 
3.00 -3.657661359e+00 
3.02 -3.596305272e+00 
3.04 -3.529792660e+00 
3.06 -3.458347419e+00 
3.08 -3.382183891e+00 
3.10 -3.301514619e+00 
3.12 -3.216561248e+00 
3.14 -3.127570567e+00 
3.16 -3.034828824e+00 
3.18 -2.938681311e+00 
3.20 -2.839548628e+00 
3.22 -2.737939971e+00 
3.24 -2.634460241e+00 
3.26 -2.529808424e+00 
3.28 -2.424765412e+00 
3.30 -2.320170664e+00 
3.32 -2.216888898e+00 
3.34 -2.115769864e+00 
3.36 -2.017605726e+00 
3.38 -1.923091284e+00 
3.40 -1.832791807e+00 
3.42 -1.747122190e+00 
3.44 -1.666338286e+00 
3.46 -1.590540931e+00 
3.48 -1.519689895e+00 
3.50 -1.453625137e+00 
3.52 -1.392092084e+00 
3.54 -1.334794813e+00 
3.56 -1.281360509e+00 
3.58 -1.231362509e+00 
3.60 -1.184374898e+00 
3.62 -1.139987320e+00 
3.64 -1.097816479e+00 
3.66 -1.057497425e+00 
3.68 -1.018587180e+00 
3.70 -9.806422114e-01 
3.72 -9.432788533e-01 
3.74 -9.061803338e-01 
3.76 -8.691034065e-01 
3.78 -8.318838727e-01 
3.80 -7.944399231e-01 
3.82 -7.567721800e-01 
3.84 -7.189595227e-01 
3.86 -6.811502455e-01 
3.88 -6.435487472e-01 
3.90 -6.063986540e-01 
3.92 -5.699638769e-01 
3.94 -5.345094451e-01 
3.96 -5.002839666e-01 
3.98 -4.675052518e-01 
4.00 -4.363500857e-01 
4.02 -4.069484965e-01 
4.04 -3.793822763e-01 
4.06 -3.536870721e-01 
4.08 -3.298571188e-01 
4.10 -3.078511096e-01 
4.12 -2.876015294e-01 
4.14 -2.690183629e-01 
4.16 -2.519982141e-01 
4.18 -2.364294946e-01 
4.20 -2.221972799e-01 
4.22 -2.091871526e-01 
4.24 -1.972880864e-01 
4.26 -1.863944852e-01 
4.28 -1.764075095e-01 
4.30 -1.672358282e-01 
4.32 -1.587959278e-01 
4.34 -1.510120921e-01 
4.36 -1.438161601e-01 
4.38 -1.371470836e-01 
4.40 -1.309504502e-01 
4.42 -1.251779406e-01 
4.44 -1.197865288e-01 
4.46 -1.147372491e-01 
4.48 -1.099975752e-01 
4.50 -1.055387145e-01 
4.52 -1.013349677e-01 
4.54 -9.736349440e-02 
4.56 -9.360404413e-02 
4.58 -9.003868171e-02 
4.60 -8.665152280e-02 
4.62 -8.342848855e-02 
4.64 -8.035708311e-02 
4.66 -7.742619472e-02 
4.68 -7.462591999e-02 
4.70 -7.194740958e-02 
4.72 -6.938273412e-02 
4.74 -6.692476554e-02 
4.76 -6.456707594e-02 
4.78 -6.230384971e-02 
4.80 -6.012953272e-02 
4.82 -5.803991370e-02 
4.84 -5.603026399e-02 
4.86 -5.409655276e-02 
4.88 -5.223507009e-02 
4.90 -5.044239013e-02 
4.92 -4.871533923e-02 
4.94 -4.705096819e-02 
4.96 -4.544652807e-02 
4.98 -4.389945038e-02 
5.00 -4.240732815e-02 
5.02 -4.096789996e-02 
5.04 -3.957903600e-02 
5.06 -3.823872595e-02 
5.08 -3.694506829e-02 
5.10 -3.569626084e-02 
5.12 -3.449059245e-02 
5.14 -3.332643563e-02 
5.16 -3.220223992e-02 
5.18 -3.111652607e-02 
5.20 -3.006788080e-02 
5.22 -2.905495203e-02 
5.24 -2.807644467e-02 
5.26 -2.713111673e-02 
5.28 -2.621777584e-02 
5.30 -2.533527600e-02 
5.32 -2.448251466e-02 
5.34 -2.365842927e-02 
5.36 -2.286195538e-02 
5.38 -2.209209089e-02 
5.40 -2.134789303e-02 
5.42 -2.062844904e-02 
5.44 -1.993287437e-02 
5.46 -1.926031099e-02 
5.48 -1.860992571e-02 
5.50 -1.798090864e-02 
5.52 -1.737247160e-02 
5.54 -1.678384663e-02 
5.56 -1.621428453e-02 
5.58 -1.566305342e-02 
5.60 -1.512943733e-02 
5.62 -1.461273484e-02 
5.64 -1.411225777e-02 
5.66 -1.362732988e-02 
5.68 -1.315728569e-02 
5.70 -1.270146929e-02 
5.72 -1.225923335e-02 
5.74 -1.182993818e-02 
5.76 -1.141295098e-02 
5.78 -1.100764526e-02 
5.80 -1.061340057e-02 
5.82 -1.022960248e-02 
5.84 -9.855642977e-03 
5.86 -9.490921318e-03 
5.88 -9.134845422e-03 
5.90 -8.786833937e-03 
5.92 -8.446319045e-03 
5.94 -8.112750138e-03 
5.96 -7.785598445e-03 
5.98 -7.464362694e-03 
6.00 -7.148575861e-03