# 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 = FeTa2
# 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  3.910843721e+02 
1.16  3.594289242e+02 
1.18  3.303565900e+02 
1.20  3.036453463e+02 
1.22  2.790974674e+02 
1.24  2.565326684e+02 
1.26  2.357840209e+02 
1.28  2.166962353e+02 
1.30  1.991255262e+02 
1.32  1.829400876e+02 
1.34  1.680202533e+02 
1.36  1.542581076e+02 
1.38  1.415568828e+02 
1.40  1.298302903e+02 
1.42  1.190015365e+02 
1.44  1.090018391e+02 
1.46  9.976860390e+01 
1.48  9.124364336e+01 
1.50  8.337185873e+01 
1.52  7.610069789e+01 
1.54  6.938043915e+01 
1.56  6.316499324e+01 
1.58  5.741268301e+01 
1.60  5.208655203e+01 
1.62  4.715409092e+01 
1.64  4.258656979e+01 
1.66  3.835824743e+01 
1.68  3.444564672e+01 
1.70  3.082698000e+01 
1.72  2.748407500e+01 
1.74  2.440950116e+01 
1.76  2.158520586e+01 
1.78  1.899237674e+01 
1.80  1.661353378e+01 
1.82  1.443251495e+01 
1.84  1.243451979e+01 
1.86  1.060601121e+01 
1.88  8.934424598e+00 
1.90  7.407936413e+00 
1.92  6.015265819e+00 
1.94  4.745546934e+00 
1.96  3.588294340e+00 
1.98  2.533467098e+00 
2.00  1.571616315e+00 
2.02  6.940783364e-01 
2.04 -1.068444953e-01 
2.06 -8.377772496e-01 
2.08 -1.504279027e+00 
2.10 -2.110960492e+00 
2.12 -2.661672855e+00 
2.14 -3.159715090e+00 
2.16 -3.608017532e+00 
2.18 -4.009283386e+00 
2.20 -4.366090510e+00 
2.22 -4.680966558e+00 
2.24 -4.956450933e+00 
2.26 -5.195150839e+00 
2.28 -5.399789930e+00 
2.30 -5.573240192e+00 
2.32 -5.718523758e+00 
2.34 -5.838771966e+00 
2.36 -5.936786674e+00 
2.38 -6.015845592e+00 
2.40 -6.079392193e+00 
2.42 -6.130393624e+00 
2.44 -6.171280261e+00 
2.46 -6.203947056e+00 
2.48 -6.229499454e+00 
2.50 -6.247896903e+00 
2.52 -6.259070177e+00 
2.54 -6.263090952e+00 
2.56 -6.260126276e+00 
2.58 -6.250407364e+00 
2.60 -6.234206936e+00 
2.62 -6.211821073e+00 
2.64 -6.183553354e+00 
2.66 -6.149700310e+00 
2.68 -6.110538099e+00 
2.70 -6.066310815e+00 
2.72 -6.017221085e+00 
2.74 -5.963423689e+00 
2.76 -5.905022896e+00 
2.78 -5.842073987e+00 
2.80 -5.774589109e+00 
2.82 -5.702547074e+00 
2.84 -5.625906227e+00 
2.86 -5.544618922e+00 
2.88 -5.458645813e+00 
2.90 -5.367968109e+00 
2.92 -5.272598406e+00 
2.94 -5.172581746e+00 
2.96 -5.067990475e+00 
2.98 -4.958926020e+00 
3.00 -4.845511550e+00 
3.02 -4.727883995e+00 
3.04 -4.606187599e+00 
3.06 -4.480570915e+00 
3.08 -4.351188659e+00 
3.10 -4.218208473e+00 
3.12 -4.081775426e+00 
3.14 -3.942014358e+00 
3.16 -3.799131533e+00 
3.18 -3.653442327e+00 
3.20 -3.505389752e+00 
3.22 -3.355557662e+00 
3.24 -3.204674880e+00 
3.26 -3.053606964e+00 
3.28 -2.903333579e+00 
3.30 -2.754911361e+00 
3.32 -2.609424468e+00 
3.34 -2.467927339e+00 
3.36 -2.331385866e+00 
3.38 -2.200623799e+00 
3.40 -2.076280550e+00 
3.42 -1.958784700e+00 
3.44 -1.848345046e+00 
3.46 -1.744958379e+00 
3.48 -1.648431149e+00 
3.50 -1.558410852e+00 
3.52 -1.474422717e+00 
3.54 -1.395907636e+00 
3.56 -1.322258257e+00 
3.58 -1.252851200e+00 
3.60 -1.187074408e+00 
3.62 -1.124349432e+00 
3.64 -1.064148949e+00 
3.66 -1.006010089e+00 
3.68 -9.495441388e-01 
3.70 -8.944430692e-01 
3.72 -8.404831552e-01 
3.74 -7.875256637e-01 
3.76 -7.355145920e-01 
3.78 -6.844712457e-01 
3.80 -6.344855235e-01 
3.82 -5.857040881e-01 
3.84 -5.383156948e-01 
3.86 -4.925347939e-01 
3.88 -4.485860069e-01 
3.90 -4.066860241e-01 
3.92 -3.670288354e-01 
3.94 -3.297738567e-01 
3.96 -2.950375485e-01 
3.98 -2.628888622e-01 
4.00 -2.333484021e-01 
4.02 -2.063908261e-01 
4.04 -1.819497598e-01 
4.06 -1.599243875e-01 
4.08 -1.401868983e-01 
4.10 -1.225900681e-01 
4.12 -1.069744236e-01 
4.14 -9.317460455e-02 
4.16 -8.102471307e-02 
4.18 -7.036257458e-02 
4.20 -6.103293856e-02 
4.22 -5.288971705e-02 
4.24 -4.579739575e-02 
4.26 -3.963176725e-02 
4.28 -3.428013341e-02 
4.30 -2.964111088e-02 
4.32 -2.562415558e-02 
4.34 -2.214890171e-02 
4.36 -1.914439238e-02 
4.38 -1.654825190e-02 
4.40 -1.430585750e-02 
4.42 -1.236952926e-02 
4.44 -1.069766281e-02 
4.46 -9.253747447e-03 
4.48 -8.006876093e-03 
4.50 -6.930256747e-03 
4.52 -6.000608665e-03 
4.54 -5.197758844e-03 
4.56 -4.504263144e-03 
4.58 -3.905059744e-03 
4.60 -3.387157740e-03 
4.62 -2.939360740e-03 
4.64 -2.552023704e-03 
4.66 -2.216840411e-03 
4.68 -1.926658577e-03 
4.70 -1.675319605e-03 
4.72 -1.457520056e-03 
4.74 -1.268692131e-03 
4.76 -1.104900709e-03 
4.78 -9.627547424e-04 
4.80 -8.393309094e-04 
4.82 -7.321088126e-04 
4.84 -6.389136725e-04 
4.86 -5.578687390e-04 
4.88 -4.873536015e-04 
4.90 -4.259685422e-04 
4.92 -3.725039162e-04 
4.94 -3.259138423e-04 
4.96 -2.852935942e-04 
4.98 -2.498601651e-04 
5.00 -2.189355548e-04 
5.02 -1.919323934e-04 
5.04 -1.683415701e-04 
5.06 -1.477215827e-04 
5.08 -1.296893654e-04 
5.10 -1.139123849e-04 
5.12 -1.001018284e-04 
5.14 -8.800672762e-05 
5.16 -7.740888985e-05 
5.18 -6.811852157e-05 
5.20 -5.997044921e-05 
5.22 -5.282085337e-05 
5.24 -4.654444566e-05 
5.26 -4.103202687e-05 
5.28 -3.618837387e-05 
5.30 -3.193041013e-05 
5.32 -2.818562100e-05 
5.34 -2.489068022e-05 
5.36 -2.199025911e-05 
5.38 -1.943599341e-05 
5.40 -1.718558658e-05 
5.42 -1.520203116e-05 
5.44 -1.345293219e-05 
5.46 -1.190991922e-05 
5.48 -1.054813486e-05 
5.50 -9.345789823e-06 
5.52 -8.283775557e-06 
5.54 -7.345326925e-06 
5.56 -6.515728233e-06 
5.58 -5.782056982e-06 
5.60 -5.132960369e-06 
5.62 -4.558460276e-06 
5.64 -4.049783017e-06 
5.66 -3.599210652e-06 
5.68 -3.199951059e-06 
5.70 -2.846024356e-06 
5.72 -2.532163566e-06 
5.74 -2.253727704e-06 
5.76 -2.006625689e-06 
5.78 -1.787249721e-06 
5.80 -1.592416895e-06 
5.82 -1.419318039e-06 
5.84 -1.265472842e-06 
5.86 -1.128690487e-06 
5.88 -1.007035108e-06 
5.90 -8.987954535e-07 
5.92 -8.024582421e-07 
5.94 -7.166847482e-07 
5.96 -6.402902179e-07 
5.98 -5.722257651e-07 
6.00 -5.115624437e-07