# 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-Sb # implementation = 2026--Park-J-H--Fe-Cu-Sb--LAMMPS--ipr1 # composition = Fe2Sb # 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 2.390660963e+02 0.80 2.276680220e+02 0.82 2.167892126e+02 0.84 2.064059681e+02 0.86 1.964955553e+02 0.88 1.870361441e+02 0.90 1.780067480e+02 0.92 1.693871669e+02 0.94 1.611579372e+02 0.96 1.533002869e+02 0.98 1.457960993e+02 1.00 1.386278852e+02 1.02 1.317787648e+02 1.04 1.252324599e+02 1.06 1.189732951e+02 1.08 1.129862097e+02 1.10 1.072567775e+02 1.12 1.017712329e+02 1.14 9.651650264e+01 1.16 9.148024024e+01 1.18 8.665085953e+01 1.20 8.201756593e+01 1.22 7.757038182e+01 1.24 7.330016370e+01 1.26 6.919860866e+01 1.28 6.525824836e+01 1.30 6.147242939e+01 1.32 5.783527922e+01 1.34 5.434165819e+01 1.36 5.098709835e+01 1.38 4.776773097e+01 1.40 4.468020496e+01 1.42 4.172159913e+01 1.44 3.888933135e+01 1.46 3.618106789e+01 1.48 3.359463603e+01 1.50 3.112794291e+01 1.52 2.877890289e+01 1.54 2.654537542e+01 1.56 2.442511449e+01 1.58 2.241573043e+01 1.60 2.051466385e+01 1.62 1.871917131e+01 1.64 1.702632164e+01 1.66 1.543300160e+01 1.68 1.393592928e+01 1.70 1.253167369e+01 1.72 1.121667888e+01 1.74 9.987290937e+00 1.76 8.839786594e+00 1.78 7.770402086e+00 1.80 6.775361344e+00 1.82 5.850902662e+00 1.84 4.993303244e+00 1.86 4.198901236e+00 1.88 3.464114992e+00 1.90 2.785459465e+00 1.92 2.159559751e+00 1.94 1.583161880e+00 1.96 1.053140717e+00 1.98 5.664847171e-01 2.00 1.203177660e-01 2.02 -2.879532852e-01 2.04 -6.609690310e-01 2.06 -1.001159980e+00 2.08 -1.310819502e+00 2.10 -1.592107109e+00 2.12 -1.847052478e+00 2.14 -2.077560054e+00 2.16 -2.285414060e+00 2.18 -2.472283810e+00 2.20 -2.639729190e+00 2.22 -2.789206224e+00 2.24 -2.922072652e+00 2.26 -3.039593443e+00 2.28 -3.142946203e+00 2.30 -3.233226439e+00 2.32 -3.311452641e+00 2.34 -3.378571166e+00 2.36 -3.435460910e+00 2.38 -3.482937755e+00 2.40 -3.521764680e+00 2.42 -3.552927003e+00 2.44 -3.577815936e+00 2.46 -3.595174520e+00 2.48 -3.605879775e+00 2.50 -3.610962907e+00 2.52 -3.610904390e+00 2.54 -3.606149248e+00 2.56 -3.597109595e+00 2.58 -3.584166997e+00 2.60 -3.567674675e+00 2.62 -3.547959553e+00 2.64 -3.525324160e+00 2.66 -3.500048401e+00 2.68 -3.472391198e+00 2.70 -3.442592015e+00 2.72 -3.410872270e+00 2.74 -3.377436648e+00 2.76 -3.342474318e+00 2.78 -3.306160058e+00 2.80 -3.268655303e+00 2.82 -3.230109110e+00 2.84 -3.190659059e+00 2.86 -3.150432083e+00 2.88 -3.109545240e+00 2.90 -3.068106427e+00 2.92 -3.026215044e+00 2.94 -2.983962605e+00 2.96 -2.941433311e+00 2.98 -2.898704574e+00 3.00 -2.855847511e+00 3.02 -2.812927392e+00 3.04 -2.770004066e+00 3.06 -2.727132351e+00 3.08 -2.684362392e+00 3.10 -2.641740006e+00 3.12 -2.599306983e+00 3.14 -2.557101386e+00 3.16 -2.515157816e+00 3.18 -2.473507660e+00 3.20 -2.432179327e+00 3.22 -2.391198462e+00 3.24 -2.350588146e+00 3.26 -2.310369087e+00 3.28 -2.270559784e+00 3.30 -2.231176698e+00 3.32 -2.192234396e+00 3.34 -2.153745692e+00 3.36 -2.115721779e+00 3.38 -2.078172195e+00 3.40 -2.040165438e+00 3.42 -1.993198565e+00 3.44 -1.921512750e+00 3.46 -1.835132635e+00 3.48 -1.800469481e+00 3.50 -1.769636452e+00 3.52 -1.739205458e+00 3.54 -1.709178619e+00 3.56 -1.679557477e+00 3.58 -1.650343040e+00 3.60 -1.621535824e+00 3.62 -1.593135885e+00 3.64 -1.565142861e+00 3.66 -1.537555998e+00 3.68 -1.510374185e+00 3.70 -1.483595980e+00 3.72 -1.457219635e+00 3.74 -1.431243123e+00 3.76 -1.405664159e+00 3.78 -1.380480223e+00 3.80 -1.355688577e+00 3.82 -1.331286288e+00 3.84 -1.307270240e+00 3.86 -1.283637154e+00 3.88 -1.260383602e+00 3.90 -1.237506021e+00 3.92 -1.212181055e+00 3.94 -1.148523636e+00 3.96 -9.533557063e-01 3.98 -5.129087339e-01 4.00 -2.365770576e-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