# 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 = PtZr2
# 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  5.511392869e+02 
1.16  5.133758811e+02 
1.18  4.784475113e+02 
1.20  4.461004359e+02 
1.22  4.161020596e+02 
1.24  3.882493676e+02 
1.26  3.623636405e+02 
1.28  3.382841750e+02 
1.30  3.158657508e+02 
1.32  2.949774525e+02 
1.34  2.755034930e+02 
1.36  2.573412215e+02 
1.38  2.403953630e+02 
1.40  2.245739029e+02 
1.42  2.097892879e+02 
1.44  1.959618086e+02 
1.46  1.830203156e+02 
1.48  1.709006141e+02 
1.50  1.595446297e+02 
1.52  1.489005256e+02 
1.54  1.389216393e+02 
1.56  1.295645457e+02 
1.58  1.207867801e+02 
1.60  1.125459671e+02 
1.62  1.048004637e+02 
1.64  9.751130912e+01 
1.66  9.064398102e+01 
1.68  8.416950697e+01 
1.70  7.806434528e+01 
1.72  7.230908620e+01 
1.74  6.688637412e+01 
1.76  6.177896038e+01 
1.78  5.696868089e+01 
1.80  5.243674757e+01 
1.82  4.816461511e+01 
1.84  4.413545848e+01 
1.86  4.033530543e+01 
1.88  3.675072989e+01 
1.90  3.336901530e+01 
1.92  3.020079423e+01 
1.94  2.727162773e+01 
1.96  2.456273906e+01 
1.98  2.205621486e+01 
2.00  1.973614202e+01 
2.02  1.758848220e+01 
2.04  1.560081457e+01 
2.06  1.376207085e+01 
2.08  1.206229326e+01 
2.10  1.049245003e+01 
2.12  9.044136890e+00 
2.14  7.709337749e+00 
2.16  6.480222817e+00 
2.18  5.349086556e+00 
2.20  4.308449877e+00 
2.22  3.351194693e+00 
2.24  2.470700112e+00 
2.26  1.660933179e+00 
2.28  9.164692189e-01 
2.30  2.325100412e-01 
2.32 -3.951722755e-01 
2.34 -9.703475835e-01 
2.36 -1.496408370e+00 
2.38 -1.976475938e+00 
2.40 -2.413481631e+00 
2.42 -2.810236603e+00 
2.44 -3.169461547e+00 
2.46 -3.493817278e+00 
2.48 -3.785907161e+00 
2.50 -4.048270335e+00 
2.52 -4.283367962e+00 
2.54 -4.493562410e+00 
2.56 -4.681086098e+00 
2.58 -4.848001248e+00 
2.60 -4.996161006e+00 
2.62 -5.127185719e+00 
2.64 -5.242516537e+00 
2.66 -5.343463113e+00 
2.68 -5.430907423e+00 
2.70 -5.505629578e+00 
2.72 -5.568362035e+00 
2.74 -5.619803831e+00 
2.76 -5.660625492e+00 
2.78 -5.691944789e+00 
2.80 -5.715360984e+00 
2.82 -5.731091954e+00 
2.84 -5.739083461e+00 
2.86 -5.739308563e+00 
2.88 -5.731824419e+00 
2.90 -5.716769746e+00 
2.92 -5.694364804e+00 
2.94 -5.664910349e+00 
2.96 -5.628782142e+00 
2.98 -5.586418653e+00 
3.00 -5.538301618e+00 
3.02 -5.484931716e+00 
3.04 -5.426797818e+00 
3.06 -5.364381502e+00 
3.08 -5.298104980e+00 
3.10 -5.228356404e+00 
3.12 -5.155483563e+00 
3.14 -5.079816328e+00 
3.16 -5.001654481e+00 
3.18 -4.921290443e+00 
3.20 -4.839009305e+00 
3.22 -4.755090572e+00 
3.24 -4.669808918e+00 
3.26 -4.583434985e+00 
3.28 -4.496236088e+00 
3.30 -4.408475596e+00 
3.32 -4.320409635e+00 
3.34 -4.232280805e+00 
3.36 -4.144310073e+00 
3.38 -4.056689127e+00 
3.40 -3.969573163e+00 
3.42 -3.883089639e+00 
3.44 -3.797325783e+00 
3.46 -3.712344980e+00 
3.48 -3.628190237e+00 
3.50 -3.544890118e+00 
3.52 -3.462463401e+00 
3.54 -3.380922166e+00 
3.56 -3.300273483e+00 
3.58 -3.220520030e+00 
3.60 -3.141660086e+00 
3.62 -3.063687296e+00 
3.64 -2.986590552e+00 
3.66 -2.910354291e+00 
3.68 -2.834959438e+00 
3.70 -2.760385153e+00 
3.72 -2.686611452e+00 
3.74 -2.613623049e+00 
3.76 -2.541433480e+00 
3.78 -2.470096235e+00 
3.80 -2.399675682e+00 
3.82 -2.330247817e+00 
3.84 -2.261901895e+00 
3.86 -2.194739334e+00 
3.88 -2.128869706e+00 
3.90 -2.064404252e+00 
3.92 -2.001443432e+00 
3.94 -1.940087866e+00 
3.96 -1.880401956e+00 
3.98 -1.822430983e+00 
4.00 -1.766194456e+00 
4.02 -1.711687785e+00 
4.04 -1.658885952e+00 
4.06 -1.607748208e+00 
4.08 -1.558222977e+00 
4.10 -1.510247180e+00 
4.12 -1.463771339e+00 
4.14 -1.418728265e+00 
4.16 -1.375058892e+00 
4.18 -1.332706891e+00 
4.20 -1.291619119e+00 
4.22 -1.251745645e+00 
4.24 -1.213039497e+00 
4.26 -1.175456245e+00 
4.28 -1.138953504e+00 
4.30 -1.103490409e+00 
4.32 -1.069027125e+00 
4.34 -1.035524387e+00 
4.36 -1.002943113e+00 
4.38 -9.712440780e-01 
4.40 -9.403876587e-01 
4.42 -9.103336514e-01 
4.44 -8.810411632e-01 
4.46 -8.524685800e-01 
4.48 -8.245736195e-01 
4.50 -7.973134773e-01 
4.52 -7.706450801e-01 
4.54 -7.445254608e-01 
4.56 -7.189122713e-01 
4.58 -6.937644491e-01 
4.60 -6.690430446e-01 
4.62 -6.447122132e-01 
4.64 -6.207403568e-01 
4.66 -5.971013839e-01 
4.68 -5.737760307e-01 
4.70 -5.507531604e-01 
4.72 -5.280309299e-01 
4.74 -5.056176904e-01 
4.76 -4.835324780e-01 
4.78 -4.618049558e-01 
4.80 -4.404665910e-01 
4.82 -4.195830197e-01 
4.84 -3.991989429e-01 
4.86 -3.793724441e-01 
4.88 -3.601621034e-01 
4.90 -3.416237176e-01 
4.92 -3.238071507e-01 
4.94 -3.067535933e-01 
4.96 -2.904934560e-01 
4.98 -2.750450448e-01 
5.00 -2.604140670e-01 
5.02 -2.465939230e-01 
5.04 -2.335666654e-01 
5.06 -2.213044576e-01 
5.08 -2.097713450e-01 
5.10 -1.989251649e-01 
5.12 -1.887194447e-01 
5.14 -1.791051784e-01 
5.16 -1.700324125e-01 
5.18 -1.614516073e-01 
5.20 -1.533147692e-01 
5.22 -1.455763713e-01 
5.24 -1.381940889e-01 
5.26 -1.311293819e-01 
5.28 -1.243479520e-01 
5.30 -1.178200959e-01 
5.32 -1.115209657e-01 
5.34 -1.054307352e-01 
5.36 -9.953466003e-02 
5.38 -9.382301350e-02 
5.40 -8.829087263e-02 
5.42 -8.293773482e-02 
5.44 -7.776695301e-02 
5.46 -7.278499395e-02 
5.48 -6.800054488e-02 
5.50 -6.342351304e-02 
5.52 -5.906398806e-02 
5.54 -5.493124086e-02 
5.56 -5.103283691e-02 
5.58 -4.737393036e-02 
5.60 -4.395666372e-02 
5.62 -4.077976599e-02 
5.64 -3.783953407e-02 
5.66 -3.512933108e-02 
5.68 -3.263989088e-02 
5.70 -3.035981997e-02 
5.72 -2.827614459e-02 
5.74 -2.637485409e-02 
5.76 -2.464140341e-02 
5.78 -2.306115011e-02 
5.80 -2.161971316e-02 
5.82 -2.030325041e-02 
5.84 -1.909865895e-02 
5.86 -1.799370687e-02 
5.88 -1.697710773e-02 
5.90 -1.603854917e-02 
5.92 -1.516868722e-02 
5.94 -1.435911621e-02 
5.96 -1.360232282e-02 
5.98 -1.289163129e-02 
6.00 -1.222114502e-02