# 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 = PdW2
# 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  5.534877987e+02 
1.16  5.097948523e+02 
1.18  4.697670809e+02 
1.20  4.330912225e+02 
1.22  3.994664232e+02 
1.24  3.686044675e+02 
1.26  3.402363163e+02 
1.28  3.141196306e+02 
1.30  2.900418680e+02 
1.32  2.678178926e+02 
1.34  2.472850464e+02 
1.36  2.282991667e+02 
1.38  2.107324824e+02 
1.40  1.944719068e+02 
1.42  1.794165686e+02 
1.44  1.654750551e+02 
1.46  1.525632299e+02 
1.48  1.406028843e+02 
1.50  1.295211238e+02 
1.52  1.192502914e+02 
1.54  1.097280714e+02 
1.56  1.008973644e+02 
1.58  9.270577264e+01 
1.60  8.510488708e+01 
1.62  7.804969522e+01 
1.64  7.149823232e+01 
1.66  6.541137994e+01 
1.68  5.975271595e+01 
1.70  5.448844477e+01 
1.72  4.958777973e+01 
1.74  4.502443129e+01 
1.76  4.077400745e+01 
1.78  3.681548933e+01 
1.80  3.313141684e+01 
1.82  2.971309669e+01 
1.84  2.656796650e+01 
1.86  2.368192381e+01 
1.88  2.103854645e+01 
1.90  1.862118793e+01 
1.92  1.641321321e+01 
1.94  1.439837471e+01 
1.96  1.256115067e+01 
1.98  1.088694401e+01 
2.00  9.362126312e+00 
2.02  7.973967432e+00 
2.04  6.710507221e+00 
2.06  5.560420904e+00 
2.08  4.512922367e+00 
2.10  3.557740152e+00 
2.12  2.685182283e+00 
2.14  1.886276424e+00 
2.16  1.152941808e+00 
2.18  4.781342643e-01 
2.20 -1.440856267e-01 
2.22 -7.185834716e-01 
2.24 -1.249270952e+00 
2.26 -1.739282074e+00 
2.28 -2.191107064e+00 
2.30 -2.606652392e+00 
2.32 -2.988102091e+00 
2.34 -3.337480449e+00 
2.36 -3.656654330e+00 
2.38 -3.947399700e+00 
2.40 -4.211440882e+00 
2.42 -4.450450348e+00 
2.44 -4.665539934e+00 
2.46 -4.857356402e+00 
2.48 -5.026719334e+00 
2.50 -5.174579266e+00 
2.52 -5.301943117e+00 
2.54 -5.409805446e+00 
2.56 -5.499092373e+00 
2.58 -5.570625704e+00 
2.60 -5.625110642e+00 
2.62 -5.663144461e+00 
2.64 -5.685239166e+00 
2.66 -5.691850088e+00 
2.68 -5.683403944e+00 
2.70 -5.660322410e+00 
2.72 -5.623039727e+00 
2.74 -5.572014739e+00 
2.76 -5.507739053e+00 
2.78 -5.430743759e+00 
2.80 -5.341607337e+00 
2.82 -5.240966915e+00 
2.84 -5.129629930e+00 
2.86 -5.008789069e+00 
2.88 -4.879207799e+00 
2.90 -4.741742848e+00 
2.92 -4.597428783e+00 
2.94 -4.447472025e+00 
2.96 -4.293228438e+00 
2.98 -4.136162782e+00 
3.00 -3.977795417e+00 
3.02 -3.819677596e+00 
3.04 -3.663296257e+00 
3.06 -3.509966965e+00 
3.08 -3.360779561e+00 
3.10 -3.216562898e+00 
3.12 -3.077871005e+00 
3.14 -2.944990504e+00 
3.16 -2.817966175e+00 
3.18 -2.696639696e+00 
3.20 -2.580695837e+00 
3.22 -2.469710833e+00 
3.24 -2.363198761e+00 
3.26 -2.260653113e+00 
3.28 -2.161582101e+00 
3.30 -2.065537157e+00 
3.32 -1.972134735e+00 
3.34 -1.881071750e+00 
3.36 -1.792135002e+00 
3.38 -1.705204859e+00 
3.40 -1.620253378e+00 
3.42 -1.537337094e+00 
3.44 -1.456584872e+00 
3.46 -1.378181565e+00 
3.48 -1.302348594e+00 
3.50 -1.229322969e+00 
3.52 -1.159336477e+00 
3.54 -1.092596795e+00 
3.56 -1.029272036e+00 
3.58 -9.694797865e-01 
3.60 -9.132811054e-01 
3.62 -8.606793517e-01 
3.64 -8.116232128e-01 
3.66 -7.660129528e-01 
3.68 -7.237087621e-01 
3.70 -6.845401094e-01 
3.72 -6.483151572e-01 
3.74 -6.148295242e-01 
3.76 -5.838739283e-01 
3.78 -5.552404676e-01 
3.80 -5.287274828e-01 
3.82 -5.041430741e-01 
3.84 -4.813074315e-01 
3.86 -4.600541729e-01 
3.88 -4.402308988e-01 
3.90 -4.216991550e-01 
3.92 -4.043339744e-01 
3.94 -3.880231383e-01 
3.96 -3.726662678e-01 
3.98 -3.581738194e-01 
4.00 -3.444660618e-01 
4.02 -3.314720766e-01 
4.04 -3.191287992e-01 
4.06 -3.073800901e-01 
4.08 -2.961758950e-01 
4.10 -2.854714145e-01 
4.12 -2.752264444e-01 
4.14 -2.654050082e-01 
4.16 -2.559745121e-01 
4.18 -2.469052641e-01 
4.20 -2.381700528e-01 
4.22 -2.297437698e-01 
4.24 -2.216030734e-01 
4.26 -2.137260928e-01 
4.28 -2.060921711e-01 
4.30 -1.986816463e-01 
4.32 -1.914756676e-01 
4.34 -1.844560492e-01 
4.36 -1.776051618e-01 
4.38 -1.709058636e-01 
4.40 -1.643414756e-01 
4.42 -1.578958034e-01 
4.44 -1.515532134e-01 
4.46 -1.452987664e-01 
4.48 -1.391184149e-01 
4.50 -1.329992673e-01 
4.52 -1.269299194e-01 
4.54 -1.209008502e-01 
4.56 -1.149048698e-01 
4.58 -1.089376025e-01 
4.60 -1.029979738e-01 
4.62 -9.708866293e-02 
4.64 -9.121647045e-02 
4.66 -8.539254337e-02 
4.68 -7.963240039e-02 
4.70 -7.395570516e-02 
4.72 -6.838575308e-02 
4.74 -6.294866294e-02 
4.76 -5.767229953e-02 
4.78 -5.258498965e-02 
4.80 -4.771412737e-02 
4.82 -4.308478868e-02 
4.84 -3.871847393e-02 
4.86 -3.463209848e-02 
4.88 -3.083730814e-02 
4.90 -2.734016210e-02 
4.92 -2.414117968e-02 
4.94 -2.123531671e-02 
4.96 -1.861337536e-02 
4.98 -1.626273277e-02 
5.00 -1.416775374e-02 
5.02 -1.231070813e-02 
5.04 -1.067262288e-02 
5.06 -9.234027308e-03 
5.08 -7.975569102e-03 
5.10 -6.878495347e-03 
5.12 -5.925004459e-03 
5.14 -5.098482850e-03 
5.16 -4.383644151e-03 
5.18 -3.766590046e-03 
5.20 -3.234811007e-03 
5.22 -2.777143344e-03 
5.24 -2.383696425e-03 
5.26 -2.045761331e-03 
5.28 -1.755709667e-03 
5.30 -1.506889064e-03 
5.32 -1.293520009e-03 
5.34 -1.110597167e-03 
5.36 -9.537971682e-04 
5.38 -8.193939521e-04 
5.40 -7.041821396e-04 
5.42 -6.054084273e-04 
5.44 -5.207107241e-04 
5.46 -4.480645459e-04 
5.48 -3.857360908e-04 
5.50 -3.322413642e-04 
5.52 -2.863107201e-04 
5.54 -2.468582071e-04 
5.56 -2.129551408e-04 
5.58 -1.838073745e-04 
5.60 -1.587357856e-04 
5.62 -1.371595521e-04 
5.64 -1.185818345e-04 
5.66 -1.025775326e-04 
5.68 -8.878282224e-05 
5.70 -7.688622009e-05 
5.72 -6.662095575e-05 
5.74 -5.775846216e-05 
5.76 -5.010282106e-05 
5.78 -4.348602397e-05 
5.80 -3.776392872e-05 
5.82 -3.281280906e-05 
5.84 -2.852641001e-05 
5.86 -2.481343415e-05 
5.88 -2.159539524e-05 
5.90 -1.880478491e-05 
5.92 -1.638350618e-05 
5.94 -1.428153451e-05 
5.96 -1.245577279e-05 
5.98 -1.086907182e-05 
6.00 -9.489391970e-06