# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CoFe2 # 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 2024-04-11 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 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 2.155368898e+02 1.16 1.957086761e+02 1.18 1.777210168e+02 1.20 1.613886036e+02 1.22 1.465475790e+02 1.24 1.330528975e+02 1.26 1.207747525e+02 1.28 1.095953073e+02 1.30 9.940728460e+01 1.32 9.011435326e+01 1.34 8.163172950e+01 1.36 7.388568070e+01 1.38 6.681182795e+01 1.40 6.035306092e+01 1.42 5.445777156e+01 1.44 4.907861587e+01 1.46 4.417187178e+01 1.48 3.969707114e+01 1.50 3.561760361e+01 1.52 3.190114627e+01 1.54 2.851842190e+01 1.56 2.544132778e+01 1.58 2.264364141e+01 1.60 2.010085928e+01 1.62 1.779008226e+01 1.64 1.568995213e+01 1.66 1.378069293e+01 1.68 1.204427102e+01 1.70 1.046456333e+01 1.72 9.027361949e+00 1.74 7.720168522e+00 1.76 6.531903048e+00 1.78 5.452665994e+00 1.80 4.473580270e+00 1.82 3.586657122e+00 1.84 2.784646039e+00 1.86 2.060881907e+00 1.88 1.409155538e+00 1.90 8.236104721e-01 1.92 2.986533395e-01 1.94 -1.711264550e-01 1.96 -5.910108307e-01 1.98 -9.661507798e-01 2.00 -1.301490376e+00 2.02 -1.601636894e+00 2.04 -1.870728396e+00 2.06 -2.112347401e+00 2.08 -2.329500961e+00 2.10 -2.524661452e+00 2.12 -2.699849160e+00 2.14 -2.856732913e+00 2.16 -2.996726044e+00 2.18 -3.121062622e+00 2.20 -3.230869375e+00 2.22 -3.327220475e+00 2.24 -3.410976164e+00 2.26 -3.482960904e+00 2.28 -3.543958454e+00 2.30 -3.594719608e+00 2.32 -3.635974108e+00 2.34 -3.668411425e+00 2.36 -3.692582144e+00 2.38 -3.708958383e+00 2.40 -3.717840514e+00 2.42 -3.719141419e+00 2.44 -3.712814880e+00 2.46 -3.698912345e+00 2.48 -3.677566045e+00 2.50 -3.648979749e+00 2.52 -3.613425086e+00 2.54 -3.571240777e+00 2.56 -3.522830970e+00 2.58 -3.468657847e+00 2.60 -3.409224470e+00 2.62 -3.345047599e+00 2.64 -3.276626119e+00 2.66 -3.204414936e+00 2.68 -3.128813247e+00 2.70 -3.050170312e+00 2.72 -2.968805199e+00 2.74 -2.885033284e+00 2.76 -2.799192164e+00 2.78 -2.711661405e+00 2.80 -2.622872713e+00 2.82 -2.533308805e+00 2.84 -2.443490950e+00 2.86 -2.353956849e+00 2.88 -2.265232304e+00 2.90 -2.177801462e+00 2.92 -2.092080794e+00 2.94 -2.008401168e+00 2.96 -1.927000373e+00 2.98 -1.848026032e+00 3.00 -1.771546527e+00 3.02 -1.697566214e+00 3.04 -1.626041166e+00 3.06 -1.556892863e+00 3.08 -1.490019198e+00 3.10 -1.425303735e+00 3.12 -1.362624750e+00 3.14 -1.301865025e+00 3.16 -1.242922140e+00 3.18 -1.185718064e+00 3.20 -1.130206495e+00 3.22 -1.076376677e+00 3.24 -1.024253097e+00 3.26 -9.738910633e-01 3.28 -9.253688165e-01 3.30 -8.787771933e-01 3.32 -8.342081699e-01 3.34 -7.917436740e-01 3.36 -7.514459543e-01 3.38 -7.133504892e-01 3.40 -6.774619839e-01 3.42 -6.437535234e-01 3.44 -6.121685197e-01 3.46 -5.826247887e-01 3.48 -5.550199549e-01 3.50 -5.292373946e-01 3.52 -5.051520541e-01 3.54 -4.826356651e-01 3.56 -4.615610777e-01 3.58 -4.418055994e-01 3.60 -4.232533630e-01 3.62 -4.057968248e-01 3.64 -3.893375432e-01 3.66 -3.737863951e-01 3.68 -3.590633807e-01 3.70 -3.450971516e-01 3.72 -3.318243660e-01 3.74 -3.191887051e-01 3.76 -3.071406934e-01 3.78 -2.956367575e-01 3.80 -2.846382476e-01 3.82 -2.741108610e-01 3.84 -2.640240968e-01 3.86 -2.543507564e-01 3.88 -2.450664987e-01 3.90 -2.361494497e-01 3.92 -2.275798631e-01 3.94 -2.193398285e-01 3.96 -2.114130208e-01 3.98 -2.037844865e-01 4.00 -1.964404607e-01 4.02 -1.893682121e-01 4.04 -1.825559101e-01 4.06 -1.759925116e-01 4.08 -1.696676645e-01 4.10 -1.635716245e-01 4.12 -1.576951842e-01 4.14 -1.520296106e-01 4.16 -1.465665918e-01 4.18 -1.412981897e-01 4.20 -1.362167981e-01 4.22 -1.313151051e-01 4.24 -1.265860595e-01 4.26 -1.220228390e-01 4.28 -1.176188213e-01 4.30 -1.133675565e-01 4.32 -1.092627402e-01 4.34 -1.052981883e-01 4.36 -1.014678113e-01 4.38 -9.776558925e-02 4.40 -9.418554717e-02 4.42 -9.072173007e-02 4.44 -8.736817884e-02 4.46 -8.411890652e-02 4.48 -8.096787595e-02 4.50 -7.790897933e-02 4.52 -7.493602110e-02 4.54 -7.204270546e-02 4.56 -6.922263066e-02 4.58 -6.646929274e-02 4.60 -6.377610178e-02 4.62 -6.113641467e-02 4.64 -5.854358883e-02 4.66 -5.599106174e-02 4.68 -5.347246138e-02 4.70 -5.098175224e-02 4.72 -4.851341998e-02 4.74 -4.606269590e-02 4.76 -4.362581800e-02 4.78 -4.120032025e-02 4.80 -3.878533164e-02 4.82 -3.638186568e-02 4.84 -3.399306388e-02 4.86 -3.162435599e-02 4.88 -2.928349496e-02 4.90 -2.698043007e-02 4.92 -2.472699361e-02 4.94 -2.253639729e-02 4.96 -2.042217672e-02 4.98 -1.839795617e-02 5.00 -1.647697627e-02 5.02 -1.467073265e-02 5.04 -1.298832202e-02 5.06 -1.143599215e-02 5.08 -1.001693128e-02 5.10 -8.731298231e-03 5.12 -7.576462878e-03 5.14 -6.547404700e-03 5.16 -5.637206952e-03 5.18 -4.837585396e-03 5.20 -4.139400281e-03 5.22 -3.533114489e-03 5.24 -3.009175951e-03 5.26 -2.558315776e-03 5.28 -2.171763797e-03 5.30 -1.841389944e-03 5.32 -1.559783411e-03 5.34 -1.320282740e-03 5.36 -1.116969370e-03 5.38 -9.446357252e-04 5.40 -7.987369733e-04 5.42 -6.753336268e-04 5.44 -5.710303054e-04 5.46 -4.829144442e-04 5.48 -4.084974694e-04 5.50 -3.456599917e-04 5.52 -2.926018588e-04 5.54 -2.477973951e-04 5.56 -2.099558152e-04 5.58 -1.779865770e-04 5.60 -1.509693109e-04 5.62 -1.281278981e-04 5.64 -1.088082462e-04 5.66 -9.245932018e-05 5.68 -7.861701088e-05 5.70 -6.689045619e-05 5.72 -5.695046959e-05 5.74 -4.851977003e-05 5.76 -4.136474485e-05 5.78 -3.528851341e-05 5.80 -3.012509121e-05 5.82 -2.573448293e-05 5.84 -2.199855850e-05 5.86 -1.881758803e-05 5.88 -1.610733082e-05 5.90 -1.379658986e-05 5.92 -1.182515708e-05 5.94 -1.014208664e-05 5.96 -8.704243500e-06 5.98 -7.475082954e-06 6.00 -6.423624007e-06