# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-As # implementation = 2026--Park-J-H--Fe-Cu-As--LAMMPS--ipr1 # composition = AsCu2 # 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 2026-06-16 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 2.045416660e+02 0.80 1.923368286e+02 0.82 1.808314065e+02 0.84 1.699827744e+02 0.86 1.597513038e+02 0.88 1.501001267e+02 0.90 1.409949176e+02 0.92 1.324036920e+02 0.94 1.242966210e+02 0.96 1.166458607e+02 0.98 1.094253951e+02 1.00 1.026108922e+02 1.02 9.617957227e+01 1.04 9.011008676e+01 1.06 8.438240819e+01 1.08 7.897772935e+01 1.10 7.387837142e+01 1.12 6.906770029e+01 1.14 6.453005023e+01 1.16 6.025065461e+01 1.18 5.621558262e+01 1.20 5.241168180e+01 1.22 4.882652557e+01 1.24 4.544836557e+01 1.26 4.226608796e+01 1.28 3.926917364e+01 1.30 3.644766174e+01 1.32 3.379211620e+01 1.34 3.129359502e+01 1.36 2.894362192e+01 1.38 2.673416023e+01 1.40 2.465758862e+01 1.42 2.270667870e+01 1.44 2.087457403e+01 1.46 1.915477069e+01 1.48 1.754109898e+01 1.50 1.602770631e+01 1.52 1.460904119e+01 1.54 1.327983802e+01 1.56 1.203510290e+01 1.58 1.087010006e+01 1.60 9.780339159e+00 1.62 8.761563176e+00 1.64 7.809736917e+00 1.66 6.921036134e+00 1.68 6.091837156e+00 1.70 5.318707035e+00 1.72 4.598394168e+00 1.74 3.927819363e+00 1.76 3.304067325e+00 1.78 2.724378548e+00 1.80 2.186141588e+00 1.82 1.686885693e+00 1.84 1.224273781e+00 1.86 7.960957409e-01 1.88 4.002620537e-01 1.90 3.479770761e-02 1.92 -3.021636014e-01 1.94 -6.123849956e-01 1.96 -8.971609047e-01 1.98 -1.131552217e+00 2.00 -1.280158495e+00 2.02 -1.504128217e+00 2.04 -1.708670176e+00 2.06 -1.895034360e+00 2.08 -2.064399378e+00 2.10 -2.217876184e+00 2.12 -2.356511616e+00 2.14 -2.481291775e+00 2.16 -2.593145248e+00 2.18 -2.692946166e+00 2.20 -2.781517129e+00 2.22 -2.859631975e+00 2.24 -2.928018426e+00 2.26 -2.987360591e+00 2.28 -3.038301354e+00 2.30 -3.081444637e+00 2.32 -3.117357554e+00 2.34 -3.146572444e+00 2.36 -3.169588818e+00 2.38 -3.186875189e+00 2.40 -3.198856912e+00 2.42 -3.205254185e+00 2.44 -3.204144477e+00 2.46 -3.201049286e+00 2.48 -3.195828041e+00 2.50 -3.187134785e+00 2.52 -3.175265868e+00 2.54 -3.160498103e+00 2.56 -3.143089911e+00 2.58 -3.123282399e+00 2.60 -3.101300391e+00 2.62 -3.077353393e+00 2.64 -3.051636511e+00 2.66 -3.024331318e+00 2.68 -2.995606672e+00 2.70 -2.965619496e+00 2.72 -2.934515501e+00 2.74 -2.902429885e+00 2.76 -2.869487978e+00 2.78 -2.835805865e+00 2.80 -2.801490960e+00 2.82 -2.766642560e+00 2.84 -2.731352356e+00 2.86 -2.695704923e+00 2.88 -2.659778178e+00 2.90 -2.623643815e+00 2.92 -2.587367707e+00 2.94 -2.551010293e+00 2.96 -2.514626938e+00 2.98 -2.478268272e+00 3.00 -2.441980511e+00 3.02 -2.405805754e+00 3.04 -2.369782267e+00 3.06 -2.333944749e+00 3.08 -2.298324579e+00 3.10 -2.262950052e+00 3.12 -2.227846597e+00 3.14 -2.193036982e+00 3.16 -2.158541509e+00 3.18 -2.124378194e+00 3.20 -2.090562937e+00 3.22 -2.057109680e+00 3.24 -2.024030559e+00 3.26 -1.991336036e+00 3.28 -1.959035038e+00 3.30 -1.927135073e+00 3.32 -1.895642344e+00 3.34 -1.864561858e+00 3.36 -1.833897525e+00 3.38 -1.803651928e+00 3.40 -1.771779812e+00 3.42 -1.719021445e+00 3.44 -1.605364796e+00 3.46 -1.444538942e+00 3.48 -1.411343077e+00 3.50 -1.387576438e+00 3.52 -1.364198677e+00 3.54 -1.341207335e+00 3.56 -1.318599481e+00 3.58 -1.296371765e+00 3.60 -1.274520462e+00 3.62 -1.253041514e+00 3.64 -1.231930566e+00 3.66 -1.211183006e+00 3.68 -1.190793999e+00 3.70 -1.170758515e+00 3.72 -1.151071361e+00 3.74 -1.131727204e+00 3.76 -1.112720601e+00 3.78 -1.094046018e+00 3.80 -1.075697849e+00 3.82 -1.057670441e+00 3.84 -1.039958108e+00 3.86 -1.022555147e+00 3.88 -1.005455851e+00 3.90 -9.886545293e-01 3.92 -9.704809509e-01 3.94 -9.294223706e-01 3.96 -8.033879966e-01 3.98 -4.783377557e-01 4.00 -3.180069871e-22 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 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