# 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 = Fe2Pd
# 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  2.957686582e+02 
1.16  2.703232880e+02 
1.18  2.471290786e+02 
1.20  2.259574144e+02 
1.22  2.066069875e+02 
1.24  1.889019278e+02 
1.26  1.726867491e+02 
1.28  1.578228913e+02 
1.30  1.441879258e+02 
1.32  1.316750416e+02 
1.34  1.201904982e+02 
1.36  1.096495976e+02 
1.38  9.997344047e+01 
1.40  9.108773365e+01 
1.42  8.292333102e+01 
1.44  7.541742099e+01 
1.46  6.851416472e+01 
1.48  6.216414851e+01 
1.50  5.632276053e+01 
1.52  5.094940795e+01 
1.54  4.602424688e+01 
1.56  4.152328695e+01 
1.58  3.740953345e+01 
1.60  3.364859160e+01 
1.62  3.020897602e+01 
1.64  2.706247122e+01 
1.66  2.418428826e+01 
1.68  2.155285420e+01 
1.70  1.914925929e+01 
1.72  1.695652961e+01 
1.74  1.495894576e+01 
1.76  1.314158322e+01 
1.78  1.149012609e+01 
1.80  9.990886237e+00 
1.82  8.630910705e+00 
1.84  7.398078322e+00 
1.86  6.281137122e+00 
1.88  5.269684292e+00 
1.90  4.354120259e+00 
1.92  3.525606484e+00 
1.94  2.776029822e+00 
1.96  2.097955005e+00 
1.98  1.484556792e+00 
2.00  9.295523113e-01 
2.02  4.271654845e-01 
2.04 -2.786426918e-02 
2.06 -4.402472721e-01 
2.08 -8.141162203e-01 
2.10 -1.153032714e+00 
2.12 -1.460035211e+00 
2.14 -1.737718540e+00 
2.16 -1.988326461e+00 
2.18 -2.213839088e+00 
2.20 -2.416043070e+00 
2.22 -2.596580229e+00 
2.24 -2.756976631e+00 
2.26 -2.898657402e+00 
2.28 -3.022953274e+00 
2.30 -3.131105653e+00 
2.32 -3.224277158e+00 
2.34 -3.303921246e+00 
2.36 -3.371195848e+00 
2.38 -3.426684377e+00 
2.40 -3.471006391e+00 
2.42 -3.504817943e+00 
2.44 -3.528812607e+00 
2.46 -3.543534000e+00 
2.48 -3.549242827e+00 
2.50 -3.546360404e+00 
2.52 -3.535406041e+00 
2.54 -3.516940384e+00 
2.56 -3.491526057e+00 
2.58 -3.459695341e+00 
2.60 -3.421930028e+00 
2.62 -3.378654330e+00 
2.64 -3.330238244e+00 
2.66 -3.277007600e+00 
2.68 -3.219257686e+00 
2.70 -3.157268635e+00 
2.72 -3.091321720e+00 
2.74 -3.021715951e+00 
2.76 -2.948783965e+00 
2.78 -2.872905675e+00 
2.80 -2.794517578e+00 
2.82 -2.714115580e+00 
2.84 -2.632249664e+00 
2.86 -2.549509701e+00 
2.88 -2.466503125e+00 
2.90 -2.383826578e+00 
2.92 -2.302034870e+00 
2.94 -2.221611392e+00 
2.96 -2.142944229e+00 
2.98 -2.066311583e+00 
3.00 -1.991878534e+00 
3.02 -1.919705068e+00 
3.04 -1.849763217e+00 
3.06 -1.781959815e+00 
3.08 -1.716161082e+00 
3.10 -1.652215900e+00 
3.12 -1.589975736e+00 
3.14 -1.529310273e+00 
3.16 -1.470118562e+00 
3.18 -1.412335947e+00 
3.20 -1.355937096e+00 
3.22 -1.300935499e+00 
3.24 -1.247379746e+00 
3.26 -1.195346974e+00 
3.28 -1.144934047e+00 
3.30 -1.096247239e+00 
3.32 -1.049391403e+00 
3.34 -1.004459711e+00 
3.36 -9.615250030e-01 
3.38 -9.206335351e-01 
3.40 -8.818015676e-01 
3.42 -8.450148237e-01 
3.44 -8.102304658e-01 
3.46 -7.773809844e-01 
3.48 -7.463792697e-01 
3.50 -7.171241532e-01 
3.52 -6.895058215e-01 
3.54 -6.634106730e-01 
3.56 -6.387253642e-01 
3.58 -6.153399456e-01 
3.60 -5.931501091e-01 
3.62 -5.720586359e-01 
3.64 -5.519761704e-01 
3.66 -5.328215035e-01 
3.68 -5.145214709e-01 
3.70 -4.970105473e-01 
3.72 -4.802302999e-01 
3.74 -4.641285897e-01 
3.76 -4.486593040e-01 
3.78 -4.337815724e-01 
3.80 -4.194589512e-01 
3.82 -4.056588890e-01 
3.84 -3.923522243e-01 
3.86 -3.795127268e-01 
3.88 -3.671166878e-01 
3.90 -3.551425601e-01 
3.92 -3.435706438e-01 
3.94 -3.323828145e-01 
3.96 -3.215622894e-01 
3.98 -3.110934253e-01 
4.00 -3.009615450e-01 
4.02 -2.911527872e-01 
4.04 -2.816539753e-01 
4.06 -2.724525039e-01 
4.08 -2.635362377e-01 
4.10 -2.548934213e-01 
4.12 -2.465126009e-01 
4.14 -2.383825479e-01 
4.16 -2.304921945e-01 
4.18 -2.228305713e-01 
4.20 -2.153867504e-01 
4.22 -2.081497936e-01 
4.24 -2.011087044e-01 
4.26 -1.942523855e-01 
4.28 -1.875696030e-01 
4.30 -1.810489577e-01 
4.32 -1.746788672e-01 
4.34 -1.684475604e-01 
4.36 -1.623430887e-01 
4.38 -1.563533583e-01 
4.40 -1.504661887e-01 
4.42 -1.446694032e-01 
4.44 -1.389509585e-01 
4.46 -1.332991188e-01 
4.48 -1.277026815e-01 
4.50 -1.221512579e-01 
4.52 -1.166356115e-01 
4.54 -1.111480509e-01 
4.56 -1.056828681e-01 
4.58 -1.002368067e-01 
4.60 -9.480953228e-02 
4.62 -8.940407008e-02 
4.64 -8.402716352e-02 
4.66 -7.868950116e-02 
4.68 -7.340575853e-02 
4.70 -6.819440655e-02 
4.72 -6.307725383e-02 
4.74 -5.807871416e-02 
4.76 -5.322482210e-02 
4.78 -4.854205378e-02 
4.80 -4.405604106e-02 
4.82 -3.979029116e-02 
4.84 -3.576501593e-02 
4.86 -3.199619245e-02 
4.88 -2.849492233e-02 
4.90 -2.526712918e-02 
4.92 -2.231359234e-02 
4.94 -1.962958270e-02 
4.96 -1.720683010e-02 
4.98 -1.503413967e-02 
5.00 -1.309738289e-02 
5.02 -1.138038249e-02 
5.04 -9.865731286e-03 
5.06 -8.535505944e-03 
5.08 -7.371855403e-03 
5.10 -6.357459288e-03 
5.12 -5.475862836e-03 
5.14 -4.711702070e-03 
5.16 -4.050836573e-03 
5.18 -3.480408164e-03 
5.20 -2.988842948e-03 
5.22 -2.565812278e-03 
5.24 -2.202165723e-03 
5.26 -1.889846635e-03 
5.28 -1.621798493e-03 
5.30 -1.391868126e-03 
5.32 -1.194710163e-03 
5.34 -1.025695638e-03 
5.36 -8.808265880e-04 
5.38 -7.566576734e-04 
5.40 -6.502252259e-04 
5.42 -5.589837463e-04 
5.44 -4.807495707e-04 
5.46 -4.136512641e-04 
5.48 -3.560862004e-04 
5.50 -3.066827449e-04 
5.52 -2.642674532e-04 
5.54 -2.278367147e-04 
5.56 -1.965323108e-04 
5.58 -1.696203930e-04 
5.60 -1.464734385e-04 
5.62 -1.265547854e-04 
5.64 -1.094053941e-04 
5.66 -9.463252754e-05 
5.68 -8.190007805e-05 
5.70 -7.092030692e-05 
5.72 -6.144679325e-05 
5.74 -5.326841680e-05 
5.76 -4.620422396e-05 
5.78 -4.009904765e-05 
5.80 -3.481977030e-05 
5.82 -3.025213523e-05 
5.84 -2.629802538e-05 
5.86 -2.287314051e-05 
5.88 -1.990501389e-05 
5.90 -1.733131837e-05 
5.92 -1.509841904e-05 
5.94 -1.316013621e-05 
5.96 -1.147668760e-05 
5.98 -1.001378349e-05 
6.00 -8.741852234e-06