# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt
# implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1
# composition = PdPt2
# 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 2026-08-31

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  6.253137690e+06 
0.80  5.679363088e+06 
0.82  5.161641934e+06 
0.84  4.693386483e+06 
0.86  4.268984145e+06 
0.88  3.883556953e+06 
0.90  3.532837298e+06 
0.92  3.213119550e+06 
0.94  2.921131904e+06 
0.96  2.653999453e+06 
0.98  2.409228109e+06 
1.00  2.184615246e+06 
1.02  1.978217289e+06 
1.04  1.788283111e+06 
1.06  1.613254108e+06 
1.08  1.451767224e+06 
1.10  1.302583391e+06 
1.12  1.164607019e+06 
1.14  1.036859055e+06 
1.16  9.184482411e+05 
1.18  8.085837692e+05 
1.20  7.065596470e+05 
1.22  6.117331156e+05 
1.24  5.235030071e+05 
1.26  4.413409512e+05 
1.28  3.647589946e+05 
1.30  2.933257040e+05 
1.32  2.303282999e+05 
1.34  1.803921852e+05 
1.36  1.407435110e+05 
1.38  1.097648814e+05 
1.40  8.569184271e+04 
1.42  6.696119604e+04 
1.44  5.236726269e+04 
1.46  4.098337057e+04 
1.48  3.209477779e+04 
1.50  2.514763870e+04 
1.52  1.971312410e+04 
1.54  1.545893432e+04 
1.56  1.212664539e+04 
1.58  9.514674175e+03 
1.60  7.465537675e+03 
1.62  5.857370952e+03 
1.64  4.595042987e+03 
1.66  3.604050378e+03 
1.68  2.825974517e+03 
1.70  2.215083553e+03 
1.72  1.735519665e+03 
1.74  1.359127844e+03 
1.76  1.063792232e+03 
1.78  8.321349901e+02 
1.80  6.504840513e+02 
1.82  5.080722136e+02 
1.84  3.964803410e+02 
1.86  3.090935634e+02 
1.88  2.407067241e+02 
1.90  1.872245789e+02 
1.92  1.454221779e+02 
1.94  1.127625872e+02 
1.96  8.726188618e+01 
1.98  6.736281646e+01 
2.00  5.184213308e+01 
2.02  3.973984759e+01 
2.04  3.030335356e+01 
2.06  2.294330918e+01 
2.08  1.719881003e+01 
2.10  1.270986679e+01 
2.12  9.195147160e+00 
2.14  6.436364009e+00 
2.16  4.263790533e+00 
2.18  2.546237499e+00 
2.20  1.182134281e+00 
2.22  9.284919597e-02 
2.24 -7.823655151e-01 
2.26 -1.490334994e+00 
2.28 -2.067073764e+00 
2.30 -2.540226066e+00 
2.32 -2.930975599e+00 
2.34 -3.255531575e+00 
2.36 -3.526286177e+00 
2.38 -3.752724376e+00 
2.40 -3.942130391e+00 
2.42 -4.100121275e+00 
2.44 -4.231058358e+00 
2.46 -4.338362135e+00 
2.48 -4.424751955e+00 
2.50 -4.492427350e+00 
2.52 -4.543204284e+00 
2.54 -4.578616680e+00 
2.56 -4.599991391e+00 
2.58 -4.608502930e+00 
2.60 -4.605212915e+00 
2.62 -4.591098043e+00 
2.64 -4.567069537e+00 
2.66 -4.533986343e+00 
2.68 -4.492663790e+00 
2.70 -4.443879042e+00 
2.72 -4.388361210e+00 
2.74 -4.326785545e+00 
2.76 -4.259823908e+00 
2.78 -4.188117550e+00 
2.80 -4.112275501e+00 
2.82 -4.032780669e+00 
2.84 -3.950074185e+00 
2.86 -3.864617267e+00 
2.88 -3.776878872e+00 
2.90 -3.687299550e+00 
2.92 -3.596289869e+00 
2.94 -3.504231017e+00 
2.96 -3.411475547e+00 
2.98 -3.318348229e+00 
3.00 -3.225147007e+00 
3.02 -3.132144036e+00 
3.04 -3.039586796e+00 
3.06 -2.947699247e+00 
3.08 -2.856683023e+00 
3.10 -2.766718641e+00 
3.12 -2.677966726e+00 
3.14 -2.590569223e+00 
3.16 -2.504650597e+00 
3.18 -2.420319011e+00 
3.20 -2.337667472e+00 
3.22 -2.256774941e+00 
3.24 -2.177707404e+00 
3.26 -2.100518899e+00 
3.28 -2.025252494e+00 
3.30 -1.951913018e+00 
3.32 -1.880474629e+00 
3.34 -1.810869149e+00 
3.36 -1.743085163e+00 
3.38 -1.677129668e+00 
3.40 -1.613003704e+00 
3.42 -1.550702950e+00 
3.44 -1.490218273e+00 
3.46 -1.431536248e+00 
3.48 -1.374639630e+00 
3.50 -1.319507803e+00 
3.52 -1.266117187e+00 
3.54 -1.214441617e+00 
3.56 -1.164452687e+00 
3.58 -1.116120077e+00 
3.60 -1.069411839e+00 
3.62 -1.024294670e+00 
3.64 -9.807341507e-01 
3.66 -9.386949744e-01 
3.68 -8.981411441e-01 
3.70 -8.590361571e-01 
3.72 -8.213431695e-01 
3.74 -7.850251454e-01 
3.76 -7.500449895e-01 
3.78 -7.163656666e-01 
3.80 -6.839503079e-01 
3.82 -6.527623053e-01 
3.84 -6.227653939e-01 
3.86 -5.939237263e-01 
3.88 -5.662019352e-01 
3.90 -5.395651896e-01 
3.92 -5.139792419e-01 
3.94 -4.894104685e-01 
3.96 -4.658259043e-01 
3.98 -4.431932704e-01 
4.00 -4.214809973e-01 
4.02 -4.006582433e-01 
4.04 -3.806949083e-01 
4.06 -3.615616434e-01 
4.08 -3.432298582e-01 
4.10 -3.256717234e-01 
4.12 -3.088601720e-01 
4.14 -2.927688974e-01 
4.16 -2.773723488e-01 
4.18 -2.626457260e-01 
4.20 -2.485649714e-01 
4.22 -2.351067607e-01 
4.24 -2.222484926e-01 
4.26 -2.099682774e-01 
4.28 -1.982449244e-01 
4.30 -1.870579286e-01 
4.32 -1.763874569e-01 
4.34 -1.662143332e-01 
4.36 -1.565200243e-01 
4.38 -1.472866237e-01 
4.40 -1.384968369e-01 
4.42 -1.301339652e-01 
4.44 -1.221818901e-01 
4.46 -1.146250577e-01 
4.48 -1.074484626e-01 
4.50 -1.006376321e-01 
4.52 -9.417861124e-02 
4.54 -8.805794641e-02 
4.56 -8.226267077e-02 
4.58 -7.678028885e-02 
4.60 -7.159876178e-02 
4.62 -6.670649270e-02 
4.64 -6.209231256e-02 
4.66 -5.774546712e-02 
4.68 -5.365560023e-02 
4.70 -4.980178445e-02 
4.72 -4.614770675e-02 
4.74 -4.268464649e-02 
4.76 -3.940551797e-02 
4.78 -3.630348874e-02 
4.80 -3.337197128e-02 
4.82 -3.060452732e-02 
4.84 -2.799460215e-02 
4.86 -2.553645228e-02 
4.88 -2.322453513e-02 
4.90 -2.105348081e-02 
4.92 -1.901815815e-02 
4.94 -1.711358172e-02 
4.96 -1.533491461e-02 
4.98 -1.367747015e-02 
5.00 -1.213671247e-02 
5.02 -1.070825606e-02 
5.04 -9.387864550e-03 
5.06 -8.171448753e-03 
5.08 -7.055064262e-03 
5.10 -6.034908543e-03 
5.12 -5.107317706e-03 
5.14 -4.268763012e-03 
5.16 -3.515847176e-03 
5.18 -2.845300531e-03 
5.20 -2.253977097e-03 
5.22 -1.738850598e-03 
5.24 -1.297010460e-03 
5.26 -9.256578118e-04 
5.28 -6.221015287e-04 
5.30 -3.837543186e-04 
5.32 -2.081288791e-04 
5.34 -9.283413387e-05 
5.36 -3.557128591e-05 
5.38 -1.261601294e-05 
5.40 -1.381161786e-06 
5.42  0.000000000e+00 
5.44  0.000000000e+00 
5.46  0.000000000e+00 
5.48  0.000000000e+00 
5.50  0.000000000e+00 
5.52  0.000000000e+00 
5.54  0.000000000e+00 
5.56  0.000000000e+00 
5.58  0.000000000e+00 
5.60  0.000000000e+00 
5.62  0.000000000e+00 
5.64  0.000000000e+00 
5.66  0.000000000e+00 
5.68  0.000000000e+00 
5.70  0.000000000e+00 
5.72  0.000000000e+00 
5.74  0.000000000e+00 
5.76  0.000000000e+00 
5.78  0.000000000e+00 
5.80  0.000000000e+00 
5.82  0.000000000e+00 
5.84  0.000000000e+00 
5.86  0.000000000e+00 
5.88  0.000000000e+00 
5.90  0.000000000e+00 
5.92  0.000000000e+00 
5.94  0.000000000e+00 
5.96  0.000000000e+00 
5.98  0.000000000e+00 
6.00  0.000000000e+00