# 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 = Al2Ta
# 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  1.911778552e+02 
1.16  1.773688303e+02 
1.18  1.646259343e+02 
1.20  1.528510198e+02 
1.22  1.419567490e+02 
1.24  1.318664583e+02 
1.26  1.225128143e+02 
1.28  1.138357931e+02 
1.30  1.057804393e+02 
1.32  9.829545249e+01 
1.34  9.133321516e+01 
1.36  8.485058554e+01 
1.38  7.880928851e+01 
1.40  7.317551895e+01 
1.42  6.791907365e+01 
1.44  6.301244941e+01 
1.46  5.843032071e+01 
1.48  5.414952453e+01 
1.50  5.014915335e+01 
1.52  4.641024420e+01 
1.54  4.291506528e+01 
1.56  3.964760644e+01 
1.58  3.659698558e+01 
1.60  3.374765482e+01 
1.62  3.108444446e+01 
1.64  2.859362639e+01 
1.66  2.626282689e+01 
1.68  2.408225150e+01 
1.70  2.204520708e+01 
1.72  2.014238241e+01 
1.74  1.836511301e+01 
1.76  1.670535165e+01 
1.78  1.515550090e+01 
1.80  1.370837864e+01 
1.82  1.235729527e+01 
1.84  1.109614734e+01 
1.86  9.919449571e+00 
1.88  8.822287082e+00 
1.90  7.800209623e+00 
1.92  6.849098081e+00 
1.94  5.965033667e+00 
1.96  5.144195685e+00 
1.98  4.382801720e+00 
2.00  3.677090630e+00 
2.02  3.023343167e+00 
2.04  2.417932359e+00 
2.06  1.857389369e+00 
2.08  1.338465945e+00 
2.10  8.581775513e-01 
2.12  4.138194629e-01 
2.14  2.957655259e-03 
2.16 -3.765961198e-01 
2.18 -7.268140350e-01 
2.20 -1.049480868e+00 
2.22 -1.346223807e+00 
2.24 -1.618547124e+00 
2.26 -1.867733331e+00 
2.28 -2.095236256e+00 
2.30 -2.302666554e+00 
2.32 -2.491638253e+00 
2.34 -2.663750538e+00 
2.36 -2.820544957e+00 
2.38 -2.963424215e+00 
2.40 -3.093265601e+00 
2.42 -3.210627487e+00 
2.44 -3.316080485e+00 
2.46 -3.410192507e+00 
2.48 -3.493519334e+00 
2.50 -3.566608955e+00 
2.52 -3.630016546e+00 
2.54 -3.684326564e+00 
2.56 -3.730177471e+00 
2.58 -3.768281272e+00 
2.60 -3.799426700e+00 
2.62 -3.824456227e+00 
2.64 -3.844215918e+00 
2.66 -3.859489663e+00 
2.68 -3.870938286e+00 
2.70 -3.879062076e+00 
2.72 -3.884194975e+00 
2.74 -3.886840546e+00 
2.76 -3.888341980e+00 
2.78 -3.888380487e+00 
2.80 -3.886474795e+00 
2.82 -3.882210074e+00 
2.84 -3.875240966e+00 
2.86 -3.865289301e+00 
2.88 -3.852139093e+00 
2.90 -3.835631291e+00 
2.92 -3.815660771e+00 
2.94 -3.792190523e+00 
2.96 -3.765260772e+00 
2.98 -3.734969592e+00 
3.00 -3.701477572e+00 
3.02 -3.665011883e+00 
3.04 -3.625864521e+00 
3.06 -3.584382208e+00 
3.08 -3.540947106e+00 
3.10 -3.495950711e+00 
3.12 -3.449765266e+00 
3.14 -3.402718372e+00 
3.16 -3.355075125e+00 
3.18 -3.307030207e+00 
3.20 -3.258709183e+00 
3.22 -3.210176648e+00 
3.24 -3.161448083e+00 
3.26 -3.112502650e+00 
3.28 -3.063295025e+00 
3.30 -3.013765327e+00 
3.32 -2.963846903e+00 
3.34 -2.913472137e+00 
3.36 -2.862576620e+00 
3.38 -2.811101997e+00 
3.40 -2.758997746e+00 
3.42 -2.706222110e+00 
3.44 -2.652742247e+00 
3.46 -2.598533854e+00 
3.48 -2.543580355e+00 
3.50 -2.487871907e+00 
3.52 -2.431404464e+00 
3.54 -2.374179146e+00 
3.56 -2.316202156e+00 
3.58 -2.257485416e+00 
3.60 -2.198048029e+00 
3.62 -2.137918567e+00 
3.64 -2.077138097e+00 
3.66 -2.015763723e+00 
3.68 -1.953872325e+00 
3.70 -1.891564095e+00 
3.72 -1.828965364e+00 
3.74 -1.766230236e+00 
3.76 -1.703540531e+00 
3.78 -1.641103689e+00 
3.80 -1.579148423e+00 
3.82 -1.517918190e+00 
3.84 -1.457662785e+00 
3.86 -1.398628655e+00 
3.88 -1.341048697e+00 
3.90 -1.285132445e+00 
3.92 -1.231057474e+00 
3.94 -1.178962810e+00 
3.96 -1.128944678e+00 
3.98 -1.081054983e+00 
4.00 -1.035302311e+00 
4.02 -9.916552000e-01 
4.04 -9.500472269e-01 
4.06 -9.103833862e-01 
4.08 -8.725472472e-01 
4.10 -8.364084104e-01 
4.12 -8.018299813e-01 
4.14 -7.686755093e-01 
4.16 -7.368154951e-01 
4.18 -7.061329970e-01 
4.20 -6.765282471e-01 
4.22 -6.479220589e-01 
4.24 -6.202578210e-01 
4.26 -5.935019039e-01 
4.28 -5.676423756e-01 
4.30 -5.426860548e-01 
4.32 -5.186540970e-01 
4.34 -4.955765009e-01 
4.36 -4.734860806e-01 
4.38 -4.524125346e-01 
4.40 -4.323772316e-01 
4.42 -4.133892117e-01 
4.44 -3.954427018e-01 
4.46 -3.785162141e-01 
4.48 -3.625730794e-01 
4.50 -3.475631147e-01 
4.52 -3.334250651e-01 
4.54 -3.200893787e-01 
4.56 -3.074810311e-01 
4.58 -2.955221563e-01 
4.60 -2.841343736e-01 
4.62 -2.732406637e-01 
4.64 -2.627662687e-01 
4.66 -2.526408931e-01 
4.68 -2.427996945e-01 
4.70 -2.331829251e-01 
4.72 -2.237366162e-01 
4.74 -2.144131506e-01 
4.76 -2.051717907e-01 
4.78 -1.959792030e-01 
4.80 -1.868099720e-01 
4.82 -1.776471781e-01 
4.84 -1.684827555e-01 
4.86 -1.593178844e-01 
4.88 -1.501630861e-01 
4.90 -1.410380366e-01 
4.92 -1.319710025e-01 
4.94 -1.229978493e-01 
4.96 -1.141606083e-01 
4.98 -1.055056419e-01 
5.00 -9.708149611e-02 
5.02 -8.893658251e-02 
5.04 -8.111685811e-02 
5.06 -7.366368551e-02 
5.08 -6.661203776e-02 
5.10 -5.998917450e-02 
5.12 -5.381386096e-02 
5.14 -4.809614117e-02 
5.16 -4.283762080e-02 
5.18 -3.803217192e-02 
5.20 -3.366694665e-02 
5.22 -2.972357685e-02 
5.24 -2.617943928e-02 
5.26 -2.300891229e-02 
5.28 -2.018452965e-02 
5.30 -1.767799561e-02 
5.32 -1.546101411e-02 
5.34 -1.350595567e-02 
5.36 -1.178635749e-02 
5.38 -1.027703339e-02 
5.40 -8.954834798e-03 
5.42 -7.798617168e-03 
5.44 -6.789043126e-03 
5.46 -5.908593395e-03 
5.48 -5.141518917e-03 
5.50 -4.473753439e-03 
5.52 -3.892801577e-03 
5.54 -3.387613618e-03 
5.56 -2.948455332e-03 
5.58 -2.566778615e-03 
5.60 -2.235096909e-03 
5.62 -1.946867897e-03 
5.64 -1.696384917e-03 
5.66 -1.478677754e-03 
5.68 -1.289422954e-03 
5.70 -1.124863405e-03 
5.72 -9.817367292e-04 
5.74 -8.572118689e-04 
5.76 -7.488331796e-04 
5.78 -6.544713361e-04 
5.80 -5.722803500e-04 
5.82 -5.006600361e-04 
5.84 -4.382233078e-04 
5.86 -3.837677286e-04 
5.88 -3.362508028e-04 
5.90 -2.947685373e-04 
5.92 -2.585368605e-04 
5.94 -2.268755280e-04 
5.96 -1.991941905e-04 
5.98 -1.749803392e-04 
6.00 -1.537888773e-04