# 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 = MgPd2
# 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  4.054866222e+02 
1.16  3.743247800e+02 
1.18  3.456417243e+02 
1.20  3.192146412e+02 
1.22  2.948437097e+02 
1.24  2.723508931e+02 
1.26  2.515768766e+02 
1.28  2.323780432e+02 
1.30  2.146244393e+02 
1.32  1.981986451e+02 
1.34  1.829945140e+02 
1.36  1.689153537e+02 
1.38  1.558722743e+02 
1.40  1.437830698e+02 
1.42  1.325716652e+02 
1.44  1.221682661e+02 
1.46  1.125097291e+02 
1.48  1.035393382e+02 
1.50  9.523940065e+01 
1.52  8.758466083e+01 
1.54  8.052323715e+01 
1.56  7.400736153e+01 
1.58  6.799290033e+01 
1.60  6.243915516e+01 
1.62  5.730894237e+01 
1.64  5.256871229e+01 
1.66  4.818842998e+01 
1.68  4.414111492e+01 
1.70  4.040218402e+01 
1.72  3.694886376e+01 
1.74  3.375985946e+01 
1.76  3.081529163e+01 
1.78  2.809675808e+01 
1.80  2.558735380e+01 
1.82  2.327156664e+01 
1.84  2.113506662e+01 
1.86  1.916446980e+01 
1.88  1.734716260e+01 
1.90  1.567125558e+01 
1.92  1.412565634e+01 
1.94  1.270018451e+01 
1.96  1.138563254e+01 
1.98  1.017372324e+01 
2.00  9.056981374e+00 
2.02  8.028572185e+00 
2.04  7.082158853e+00 
2.06  6.211804476e+00 
2.08  5.411922218e+00 
2.10  4.677263122e+00 
2.12  4.002926313e+00 
2.14  3.384372270e+00 
2.16  2.817426865e+00 
2.18  2.298269198e+00 
2.20  1.823408214e+00 
2.22  1.389651968e+00 
2.24  9.940783268e-01 
2.26  6.340081243e-01 
2.28  3.069788343e-01 
2.30  1.071516212e-02 
2.32 -2.569070170e-01 
2.34 -4.980496628e-01 
2.36 -7.156256871e-01 
2.38 -9.111387014e-01 
2.40 -1.085869964e+00 
2.42 -1.241172054e+00 
2.44 -1.378437413e+00 
2.46 -1.499067085e+00 
2.48 -1.604441108e+00 
2.50 -1.695939743e+00 
2.52 -1.774973589e+00 
2.54 -1.842822733e+00 
2.56 -1.900603480e+00 
2.58 -1.949269725e+00 
2.60 -1.989627454e+00 
2.62 -2.022358670e+00 
2.64 -2.048050151e+00 
2.66 -2.067216610e+00 
2.68 -2.080321499e+00 
2.70 -2.087789895e+00 
2.72 -2.090016998e+00 
2.74 -2.087373862e+00 
2.76 -2.080212352e+00 
2.78 -2.068870737e+00 
2.80 -2.053681870e+00 
2.82 -2.034981509e+00 
2.84 -2.013119470e+00 
2.86 -1.988468700e+00 
2.88 -1.961430595e+00 
2.90 -1.932433347e+00 
2.92 -1.901921381e+00 
2.94 -1.870336258e+00 
2.96 -1.838092321e+00 
2.98 -1.805552521e+00 
3.00 -1.773010205e+00 
3.02 -1.740680753e+00 
3.04 -1.708704186e+00 
3.06 -1.677175612e+00 
3.08 -1.646113919e+00 
3.10 -1.615490915e+00 
3.12 -1.585263018e+00 
3.14 -1.555382967e+00 
3.16 -1.525804820e+00 
3.18 -1.496489717e+00 
3.20 -1.467407695e+00 
3.22 -1.438538004e+00 
3.24 -1.409852937e+00 
3.26 -1.381315933e+00 
3.28 -1.352905071e+00 
3.30 -1.324612193e+00 
3.32 -1.296440192e+00 
3.34 -1.268400183e+00 
3.36 -1.240508796e+00 
3.38 -1.212785869e+00 
3.40 -1.185252650e+00 
3.42 -1.157930879e+00 
3.44 -1.130841762e+00 
3.46 -1.104005850e+00 
3.48 -1.077442726e+00 
3.50 -1.051170774e+00 
3.52 -1.025206921e+00 
3.54 -9.995663492e-01 
3.56 -9.742622130e-01 
3.58 -9.493053801e-01 
3.60 -9.247042252e-01 
3.62 -9.004644917e-01 
3.64 -8.765892303e-01 
3.66 -8.530788205e-01 
3.68 -8.299310786e-01 
3.70 -8.071414535e-01 
3.72 -7.847033081e-01 
3.74 -7.626082797e-01 
3.76 -7.408467048e-01 
3.78 -7.194080846e-01 
3.80 -6.982815597e-01 
3.82 -6.774563609e-01 
3.84 -6.569222059e-01 
3.86 -6.366696308e-01 
3.88 -6.166902683e-01 
3.90 -5.969771196e-01 
3.92 -5.775248824e-01 
3.94 -5.583304090e-01 
3.96 -5.393933347e-01 
3.98 -5.207168764e-01 
4.00 -5.023087311e-01 
4.02 -4.841819380e-01 
4.04 -4.663555275e-01 
4.06 -4.488547584e-01 
4.08 -4.317107716e-01 
4.10 -4.149591978e-01 
4.12 -3.986399035e-01 
4.14 -3.827923089e-01 
4.16 -3.674543561e-01 
4.18 -3.526593156e-01 
4.20 -3.384333225e-01 
4.22 -3.247934935e-01 
4.24 -3.117468287e-01 
4.26 -2.992899685e-01 
4.28 -2.874097439e-01 
4.30 -2.760843573e-01 
4.32 -2.652849752e-01 
4.34 -2.549775044e-01 
4.36 -2.451243553e-01 
4.38 -2.356860500e-01 
4.40 -2.266225922e-01 
4.42 -2.178945675e-01 
4.44 -2.094639893e-01 
4.46 -2.012949258e-01 
4.48 -1.933539634e-01 
4.50 -1.856105582e-01 
4.52 -1.780373288e-01 
4.54 -1.706103279e-01 
4.56 -1.633093201e-01 
4.58 -1.561180775e-01 
4.60 -1.490246868e-01 
4.62 -1.420218475e-01 
4.64 -1.351071222e-01 
4.66 -1.282830907e-01 
4.68 -1.215573516e-01 
4.70 -1.149423154e-01 
4.72 -1.084547470e-01 
4.74 -1.021150325e-01 
4.76 -9.594618122e-02 
4.78 -8.997260928e-02 
4.80 -8.421851806e-02 
4.82 -7.870760737e-02 
4.84 -7.346004081e-02 
4.86 -6.849255681e-02 
4.88 -6.381733802e-02 
4.90 -5.944154643e-02 
4.92 -5.536721554e-02 
4.94 -5.159147945e-02 
4.96 -4.810703908e-02 
4.98 -4.490284928e-02 
5.00 -4.196491465e-02 
5.02 -3.927710051e-02 
5.04 -3.682108152e-02 
5.06 -3.457840928e-02 
5.08 -3.253179459e-02 
5.10 -3.066388058e-02 
5.12 -2.895777845e-02 
5.14 -2.739744257e-02 
5.16 -2.596790683e-02 
5.18 -2.465541273e-02 
5.20 -2.344745668e-02 
5.22 -2.233277943e-02 
5.24 -2.130131621e-02 
5.26 -2.034412200e-02 
5.28 -1.945328286e-02 
5.30 -1.862182107e-02 
5.32 -1.784359973e-02 
5.34 -1.711323014e-02 
5.36 -1.642596571e-02 
5.38 -1.577765395e-02 
5.40 -1.516466379e-02 
5.42 -1.458380670e-02 
5.44 -1.403227867e-02 
5.46 -1.350760895e-02 
5.48 -1.300761508e-02 
5.50 -1.253036362e-02 
5.52 -1.207413593e-02 
5.54 -1.163739852e-02 
5.56 -1.121877736e-02 
5.58 -1.081703565e-02 
5.60 -1.043105467e-02 
5.62 -1.005981721e-02 
5.64 -9.702393326e-03 
5.66 -9.357928038e-03 
5.68 -9.025630737e-03 
5.70 -8.704766078e-03 
5.72 -8.394646163e-03 
5.74 -8.094623845e-03 
5.76 -7.804087035e-03 
5.78 -7.522453910e-03 
5.80 -7.249168934e-03 
5.82 -6.983699650e-03 
5.84 -6.725534202e-03 
5.86 -6.474179572e-03 
5.88 -6.229160533e-03 
5.90 -5.990019346e-03 
5.92 -5.756316211e-03 
5.94 -5.527630516e-03 
5.96 -5.303562920e-03 
5.98 -5.083738292e-03 
6.00 -4.867809517e-03