# 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-Bi # implementation = 2026--Park-J-H--Fe-Cu-Bi--LAMMPS--ipr1 # composition = Bi2Fe # 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 5.374415898e+02 0.80 5.117182927e+02 0.82 4.871849387e+02 0.84 4.637878185e+02 0.86 4.414755948e+02 0.88 4.201991992e+02 0.90 3.999117338e+02 0.92 3.805683780e+02 0.94 3.621262973e+02 0.96 3.445445583e+02 0.98 3.277840451e+02 1.00 3.118073809e+02 1.02 2.965788521e+02 1.04 2.820643359e+02 1.06 2.682312308e+02 1.08 2.550483906e+02 1.10 2.424860603e+02 1.12 2.305158158e+02 1.14 2.191105052e+02 1.16 2.082441934e+02 1.18 1.978921087e+02 1.20 1.880305913e+02 1.22 1.786370438e+02 1.24 1.696898802e+02 1.26 1.611684688e+02 1.28 1.530530544e+02 1.30 1.453246337e+02 1.32 1.379647473e+02 1.34 1.309551457e+02 1.36 1.242773056e+02 1.38 1.179118185e+02 1.40 1.118377447e+02 1.42 1.060320949e+02 1.44 1.004696493e+02 1.46 9.512330978e+01 1.48 8.996510240e+01 1.50 8.496781238e+01 1.52 8.010706599e+01 1.54 7.536352272e+01 1.56 7.072475021e+01 1.58 6.618636523e+01 1.60 6.175215058e+01 1.62 5.743307457e+01 1.64 5.324538513e+01 1.66 4.920814680e+01 1.68 4.534067582e+01 1.70 4.166029076e+01 1.72 3.818066348e+01 1.74 3.491088429e+01 1.76 3.185520246e+01 1.78 2.901330170e+01 1.80 2.638092876e+01 1.82 2.395069985e+01 1.84 2.171294426e+01 1.86 1.965648934e+01 1.88 1.776933334e+01 1.90 1.603918483e+01 1.92 1.445387025e+01 1.94 1.300162339e+01 1.96 1.167127654e+01 1.98 1.045237413e+01 2.00 9.335227819e+00 2.02 8.310929644e+00 2.04 7.371336166e+00 2.06 6.509033937e+00 2.08 5.717293782e+00 2.10 4.990019392e+00 2.12 4.321694005e+00 2.14 3.707327701e+00 2.16 3.142406943e+00 2.18 2.622847287e+00 2.20 2.144949771e+00 2.22 1.705361132e+00 2.24 1.301037830e+00 2.26 9.292137064e-01 2.28 5.873710623e-01 2.30 2.732148471e-01 2.32 -1.535029456e-02 2.34 -2.802404214e-01 2.36 -5.232104018e-01 2.38 -7.458699810e-01 2.40 -9.496980424e-01 2.42 -1.136055267e+00 2.44 -1.306195383e+00 2.46 -1.461275171e+00 2.48 -1.602363372e+00 2.50 -1.730448627e+00 2.52 -1.846446575e+00 2.54 -1.951206184e+00 2.56 -2.045515444e+00 2.58 -2.130106455e+00 2.60 -2.205660015e+00 2.62 -2.272809749e+00 2.64 -2.332145830e+00 2.66 -2.384218352e+00 2.68 -2.429540378e+00 2.70 -2.468590714e+00 2.72 -2.501816424e+00 2.74 -2.529635130e+00 2.76 -2.552437107e+00 2.78 -2.570587200e+00 2.80 -2.584426583e+00 2.82 -2.594274374e+00 2.84 -2.600429118e+00 2.86 -2.603170153e+00 2.88 -2.602758878e+00 2.90 -2.599439914e+00 2.92 -2.593442188e+00 2.94 -2.584979934e+00 2.96 -2.574253623e+00 2.98 -2.561450827e+00 3.00 -2.546747025e+00 3.02 -2.530306352e+00 3.04 -2.512282301e+00 3.06 -2.492818373e+00 3.08 -2.472048690e+00 3.10 -2.450098568e+00 3.12 -2.427085049e+00 3.14 -2.403117408e+00 3.16 -2.378297615e+00 3.18 -2.352720787e+00 3.20 -2.326475593e+00 3.22 -2.299644649e+00 3.24 -2.272304884e+00 3.26 -2.244527881e+00 3.28 -2.216380203e+00 3.30 -2.187923697e+00 3.32 -2.159215782e+00 3.34 -2.130309717e+00 3.36 -2.101254857e+00 3.38 -2.072096537e+00 3.40 -2.040537969e+00 3.42 -1.982228111e+00 3.44 -1.815888739e+00 3.46 -1.457628621e+00 3.48 -1.407218565e+00 3.50 -1.386216858e+00 3.52 -1.365450774e+00 3.54 -1.344925621e+00 3.56 -1.324645853e+00 3.58 -1.304615140e+00 3.60 -1.284836427e+00 3.62 -1.265311997e+00 3.64 -1.246043529e+00 3.66 -1.227032142e+00 3.68 -1.208278451e+00 3.70 -1.189782609e+00 3.72 -1.171544348e+00 3.74 -1.153563019e+00 3.76 -1.135837630e+00 3.78 -1.118366876e+00 3.80 -1.101149174e+00 3.82 -1.084182689e+00 3.84 -1.067465363e+00 3.86 -1.050994940e+00 3.88 -1.034768990e+00 3.90 -1.018784926e+00 3.92 -1.001312382e+00 3.94 -9.598639592e-01 3.96 -8.291897513e-01 3.98 -4.913454927e-01 4.00 -3.212058356e-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