# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ni # implementation = 2025--Sharifi-H--Fe-Ni--LAMMPS--ipr1 # composition = FeNi2 # 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 2025-07-01 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 7.712261599e+02 0.92 7.080919634e+02 0.94 6.500149603e+02 0.96 5.965860454e+02 0.98 5.481869912e+02 1.00 5.046160793e+02 1.02 4.649820826e+02 1.04 4.286262708e+02 1.06 3.950624582e+02 1.08 3.639320380e+02 1.10 3.349694001e+02 1.12 3.079756448e+02 1.14 2.827988232e+02 1.16 2.593192725e+02 1.18 2.374389237e+02 1.20 2.170736502e+02 1.22 1.981479335e+02 1.24 1.805912700e+02 1.26 1.643358634e+02 1.28 1.493152532e+02 1.30 1.354636051e+02 1.32 1.227154576e+02 1.34 1.110057670e+02 1.36 1.002701378e+02 1.38 9.044515108e+01 1.40 8.146873227e+01 1.42 7.328051608e+01 1.44 6.582218297e+01 1.46 5.903774967e+01 1.48 5.287380594e+01 1.50 4.727969415e+01 1.52 4.220763330e+01 1.54 3.761279063e+01 1.56 3.345330359e+01 1.58 2.969026196e+01 1.60 2.628765458e+01 1.62 2.321228693e+01 1.64 2.043367567e+01 1.66 1.792392515e+01 1.68 1.565759146e+01 1.70 1.361153791e+01 1.72 1.176478559e+01 1.74 1.009836220e+01 1.76 8.595120170e+00 1.78 7.239500992e+00 1.80 6.017388022e+00 1.82 4.916006499e+00 1.84 3.923823113e+00 1.86 3.030447223e+00 1.88 2.226535942e+00 1.90 1.503704033e+00 1.92 8.544386632e-01 1.94 2.720125523e-01 1.96 -2.496496454e-01 1.98 -7.160819734e-01 2.00 -1.132328649e+00 2.02 -1.502987077e+00 2.04 -1.832247163e+00 2.06 -2.123927106e+00 2.08 -2.381506047e+00 2.10 -2.608153908e+00 2.12 -2.806758544e+00 2.14 -2.979950553e+00 2.16 -3.130125892e+00 2.18 -3.259458735e+00 2.20 -3.369912376e+00 2.22 -3.463275074e+00 2.24 -3.541177882e+00 2.26 -3.605108256e+00 2.28 -3.656422467e+00 2.30 -3.696356947e+00 2.32 -3.726038683e+00 2.34 -3.746494691e+00 2.36 -3.758660689e+00 2.38 -3.763389027e+00 2.40 -3.761455924e+00 2.42 -3.753570435e+00 2.44 -3.740384716e+00 2.46 -3.722492468e+00 2.48 -3.700427954e+00 2.50 -3.674675653e+00 2.52 -3.645704849e+00 2.54 -3.613902251e+00 2.56 -3.579632641e+00 2.58 -3.543226470e+00 2.60 -3.504982926e+00 2.62 -3.465172722e+00 2.64 -3.424040655e+00 2.66 -3.381807921e+00 2.68 -3.338674237e+00 2.70 -3.294819772e+00 2.72 -3.250406901e+00 2.74 -3.205581811e+00 2.76 -3.160475953e+00 2.78 -3.115207374e+00 2.80 -3.069881921e+00 2.82 -3.024594336e+00 2.84 -2.979429258e+00 2.86 -2.934462118e+00 2.88 -2.889759971e+00 2.90 -2.845382227e+00 2.92 -2.801381334e+00 2.94 -2.757803375e+00 2.96 -2.714688625e+00 2.98 -2.672072034e+00 3.00 -2.629983676e+00 3.02 -2.588450516e+00 3.04 -2.547511285e+00 3.06 -2.507190521e+00 3.08 -2.467431554e+00 3.10 -2.428289485e+00 3.12 -2.389773000e+00 3.14 -2.351887005e+00 3.16 -2.314633722e+00 3.18 -2.278012852e+00 3.20 -2.242021725e+00 3.22 -2.206655449e+00 3.24 -2.171907045e+00 3.26 -2.137767595e+00 3.28 -2.104226382e+00 3.30 -2.071271046e+00 3.32 -2.038887747e+00 3.34 -2.007061340e+00 3.36 -1.975775560e+00 3.38 -1.945013229e+00 3.40 -1.914756464e+00 3.42 -1.884986903e+00 3.44 -1.855685934e+00 3.46 -1.826834932e+00 3.48 -1.798415486e+00 3.50 -1.770409630e+00 3.52 -1.742800052e+00 3.54 -1.715570291e+00 3.56 -1.688704914e+00 3.58 -1.662189655e+00 3.60 -1.636011539e+00 3.62 -1.610158961e+00 3.64 -1.584621738e+00 3.66 -1.559391125e+00 3.68 -1.534459798e+00 3.70 -1.509821807e+00 3.72 -1.485472507e+00 3.74 -1.461408456e+00 3.76 -1.437627307e+00 3.78 -1.414127673e+00 3.80 -1.390908999e+00 3.82 -1.367971415e+00 3.84 -1.345315601e+00 3.86 -1.322942648e+00 3.88 -1.300853931e+00 3.90 -1.279050992e+00 3.92 -1.257535435e+00 3.94 -1.236308830e+00 3.96 -1.215372639e+00 3.98 -1.194728149e+00 4.00 -1.174376423e+00 4.02 -1.154318261e+00 4.04 -1.134554176e+00 4.06 -1.115084380e+00 4.08 -1.095908772e+00 4.10 -1.077026950e+00 4.12 -1.058438208e+00 4.14 -1.040141558e+00 4.16 -1.022135740e+00 4.18 -1.004419243e+00 4.20 -9.869903244e-01 4.22 -9.698470316e-01 4.24 -9.529872201e-01 4.26 -9.363002016e-01 4.28 -9.176035273e-01 4.30 -8.909865850e-01 4.32 -8.548710406e-01 4.34 -8.341843195e-01 4.36 -8.200508963e-01 4.38 -8.061599329e-01 4.40 -7.925083201e-01 4.42 -7.790929325e-01 4.44 -7.659106317e-01 4.46 -7.529582693e-01 4.48 -7.402326893e-01 4.50 -7.277307311e-01 4.52 -7.154492320e-01 4.54 -7.033850290e-01 4.56 -6.915349617e-01 4.58 -6.798958740e-01 4.60 -6.684646166e-01 4.62 -6.572380483e-01 4.64 -6.462130384e-01 4.66 -6.353864681e-01 4.68 -6.247552325e-01 4.70 -6.143162422e-01 4.72 -6.040664243e-01 4.74 -5.940027246e-01 4.76 -5.841221085e-01 4.78 -5.744215625e-01 4.80 -5.648980952e-01 4.82 -5.555487389e-01 4.84 -5.463705501e-01 4.86 -5.373606111e-01 4.88 -5.285160308e-01 4.90 -5.198339452e-01 4.92 -5.106124310e-01 4.94 -4.917341388e-01 4.96 -4.345422215e-01 4.98 -2.723458048e-01 5.00 -2.443381474e-22 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