# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = CoFeNi2 # 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 2022-05-24 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 2.525005099e+04 2.525005099e+04 1.12 2.029996028e+04 2.029996028e+04 1.14 1.637977477e+04 1.637977477e+04 1.16 1.326283142e+04 1.326283142e+04 1.18 1.077502872e+04 1.077502872e+04 1.20 8.782032393e+03 8.782032393e+03 1.22 7.179739681e+03 7.179739681e+03 1.24 5.887134727e+03 5.887134727e+03 1.26 4.840911768e+03 4.840911768e+03 1.28 3.991408321e+03 3.991408321e+03 1.30 3.299514910e+03 3.299514910e+03 1.32 2.734319827e+03 2.734319827e+03 1.34 2.271303711e+03 2.271303711e+03 1.36 1.890949437e+03 1.890949437e+03 1.38 1.577669969e+03 1.577669969e+03 1.40 1.318976928e+03 1.318976928e+03 1.42 1.104832556e+03 1.104832556e+03 1.44 9.271439939e+02 9.271439939e+02 1.46 7.793677255e+02 7.793677255e+02 1.48 6.561979759e+02 6.561979759e+02 1.50 5.533209345e+02 5.533209345e+02 1.52 4.672193885e+02 4.672193885e+02 1.54 3.950181327e+02 3.950181327e+02 1.56 3.343607089e+02 3.343607089e+02 1.58 2.833109336e+02 2.833109336e+02 1.60 2.402744943e+02 2.402744943e+02 1.62 2.039353002e+02 2.039353002e+02 1.64 1.732039567e+02 1.732039567e+02 1.66 1.471770204e+02 1.471770204e+02 1.68 1.251037512e+02 1.251037512e+02 1.70 1.063590328e+02 1.063590328e+02 1.72 9.042141431e+01 9.042141431e+01 1.74 7.685516659e+01 7.685516659e+01 1.76 6.529538614e+01 6.529538614e+01 1.78 5.543572573e+01 5.543572573e+01 1.80 4.701866789e+01 4.701866789e+01 1.82 3.982746785e+01 3.982746785e+01 1.84 3.367929131e+01 3.367929131e+01 1.86 2.841972161e+01 2.841972161e+01 1.88 2.391822254e+01 2.391822254e+01 1.90 2.006432183e+01 2.006432183e+01 1.92 1.676443466e+01 1.676443466e+01 1.94 1.393903181e+01 1.393903181e+01 1.96 1.152027814e+01 1.152027814e+01 1.98 9.450149457e+00 9.450149457e+00 2.00 7.679117711e+00 7.679117711e+00 2.02 6.164902570e+00 6.164902570e+00 2.04 4.871382862e+00 4.871382862e+00 2.06 3.767572793e+00 3.767572793e+00 2.08 2.826924067e+00 2.826924067e+00 2.10 2.026673407e+00 2.026673407e+00 2.12 1.347269375e+00 1.347269375e+00 2.14 7.719120666e-01 7.719120666e-01 2.16 2.861644765e-01 2.861644765e-01 2.18 -1.223761695e-01 -1.223761695e-01 2.20 -4.643565545e-01 -4.643565545e-01 2.22 -7.489427279e-01 -7.489427279e-01 2.24 -9.841565952e-01 -9.841565952e-01 2.26 -1.176951259e+00 -1.176951259e+00 2.28 -1.333323987e+00 -1.333323987e+00 2.30 -1.458448404e+00 -1.458448404e+00 2.32 -1.556781163e+00 -1.556781163e+00 2.34 -1.632153278e+00 -1.632153278e+00 2.36 -1.687902418e+00 -1.687902418e+00 2.38 -1.726986475e+00 -1.726986475e+00 2.40 -1.751974345e+00 -1.751974345e+00 2.42 -1.765088341e+00 -1.765088341e+00 2.44 -1.768246385e+00 -1.768246385e+00 2.46 -1.763098011e+00 -1.763098011e+00 2.48 -1.751055057e+00 -1.751055057e+00 2.50 -1.733317801e+00 -1.733317801e+00 2.52 -1.710897170e+00 -1.710897170e+00 2.54 -1.684633578e+00 -1.684633578e+00 2.56 -1.655212985e+00 -1.655212985e+00 2.58 -1.623212022e+00 -1.623212022e+00 2.60 -1.589155854e+00 -1.589155854e+00 2.62 -1.553474363e+00 -1.553474363e+00 2.64 -1.516521031e+00 -1.516521031e+00 2.66 -1.478643410e+00 -1.478643410e+00 2.68 -1.440158569e+00 -1.440158569e+00 2.70 -1.401336355e+00 -1.401336355e+00 2.72 -1.362390901e+00 -1.362390901e+00 2.74 -1.323489797e+00 -1.323489797e+00 2.76 -1.284773733e+00 -1.284773733e+00 2.78 -1.246360548e+00 -1.246360548e+00 2.80 -1.208348144e+00 -1.208348144e+00 2.82 -1.170816959e+00 -1.170816959e+00 2.84 -1.133832026e+00 -1.133832026e+00 2.86 -1.097444704e+00 -1.097444704e+00 2.88 -1.061698665e+00 -1.061698665e+00 2.90 -1.026641158e+00 -1.026641158e+00 2.92 -9.923149951e-01 -9.923149951e-01 2.94 -9.587572466e-01 -9.587572466e-01 2.96 -9.259999975e-01 -9.259999975e-01 2.98 -8.940709468e-01 -8.940709468e-01 3.00 -8.629938737e-01 -8.629938737e-01 3.02 -8.327889851e-01 -8.327889851e-01 3.04 -8.034731597e-01 -8.034731597e-01 3.06 -7.750601022e-01 -7.750601022e-01 3.08 -7.475604177e-01 -7.475604177e-01 3.10 -7.209816176e-01 -7.209816176e-01 3.12 -6.953280640e-01 -6.953280640e-01 3.14 -6.706008610e-01 -6.706008610e-01 3.16 -6.467976478e-01 -6.467976478e-01 3.18 -6.239090016e-01 -6.239090016e-01 3.20 -6.019167233e-01 -6.019167233e-01 3.22 -5.807993128e-01 -5.807993128e-01 3.24 -5.605321732e-01 -5.605321732e-01 3.26 -5.410872318e-01 -5.410872318e-01 3.28 -5.224325392e-01 -5.224325392e-01 3.30 -5.045318497e-01 -5.045318497e-01 3.32 -4.873470930e-01 -4.873470930e-01 3.34 -4.708474960e-01 -4.708474960e-01 3.36 -4.550019373e-01 -4.550019373e-01 3.38 -4.397759049e-01 -4.397759049e-01 3.40 -4.251311461e-01 -4.251311461e-01 3.42 -4.110253105e-01 -4.110253105e-01 3.44 -3.974115846e-01 -3.974115846e-01 3.46 -3.842405237e-01 -3.842405237e-01 3.48 -3.714846378e-01 -3.714846378e-01 3.50 -3.591329757e-01 -3.591329757e-01 3.52 -3.471756306e-01 -3.471756306e-01 3.54 -3.356033975e-01 -3.356033975e-01 3.56 -3.244077069e-01 -3.244077069e-01 3.58 -3.135805554e-01 -3.135805554e-01 3.60 -3.031144339e-01 -3.031144339e-01 3.62 -2.930022543e-01 -2.930022543e-01 3.64 -2.832372743e-01 -2.832372743e-01 3.66 -2.738130200e-01 -2.738130200e-01 3.68 -2.647232090e-01 -2.647232090e-01 3.70 -2.559616705e-01 -2.559616705e-01 3.72 -2.475222665e-01 -2.475222665e-01 3.74 -2.393988106e-01 -2.393988106e-01 3.76 -2.315849874e-01 -2.315849874e-01 3.78 -2.240742713e-01 -2.240742713e-01 3.80 -2.168598444e-01 -2.168598444e-01 3.82 -2.099345148e-01 -2.099345148e-01 3.84 -2.032906346e-01 -2.032906346e-01 3.86 -1.969200174e-01 -1.969200174e-01 3.88 -1.908138562e-01 -1.908138562e-01 3.90 -1.849626410e-01 -1.849626410e-01 3.92 -1.793560769e-01 -1.793560769e-01 3.94 -1.739830017e-01 -1.739830017e-01 3.96 -1.688313040e-01 -1.688313040e-01 3.98 -1.638878409e-01 -1.638878409e-01 4.00 -1.591383570e-01 -1.591383570e-01 4.02 -1.545674019e-01 -1.545674019e-01 4.04 -1.501582496e-01 -1.501582496e-01 4.06 -1.458946329e-01 -1.458946329e-01 4.08 -1.417686658e-01 -1.417686658e-01 4.10 -1.377754636e-01 -1.377754636e-01 4.12 -1.339103258e-01 -1.339103258e-01 4.14 -1.301687280e-01 -1.301687280e-01 4.16 -1.265463152e-01 -1.265463152e-01 4.18 -1.230388958e-01 -1.230388958e-01 4.20 -1.196424350e-01 -1.196424350e-01 4.22 -1.163530493e-01 -1.163530493e-01 4.24 -1.131670003e-01 -1.131670003e-01 4.26 -1.100806897e-01 -1.100806897e-01 4.28 -1.070906536e-01 -1.070906536e-01 4.30 -1.041935572e-01 -1.041935572e-01 4.32 -1.013861904e-01 -1.013861904e-01 4.34 -9.866546227e-02 -9.866546227e-02 4.36 -9.602839712e-02 -9.602839712e-02 4.38 -9.347212961e-02 -9.347212961e-02 4.40 -9.099390066e-02 -9.099390066e-02 4.42 -8.859105328e-02 -8.859105328e-02 4.44 -8.626102865e-02 -8.626102865e-02 4.46 -8.400136228e-02 -8.400136228e-02 4.48 -8.180939040e-02 -8.180939040e-02 4.50 -7.968143010e-02 -7.968143010e-02 4.52 -7.761374950e-02 -7.761374950e-02 4.54 -7.560286669e-02 -7.560286669e-02 4.56 -7.364554095e-02 -7.364554095e-02 4.58 -7.173876412e-02 -7.173876412e-02 4.60 -6.987975201e-02 -6.987975201e-02 4.62 -6.806593584e-02 -6.806593584e-02 4.64 -6.629495387e-02 -6.629495387e-02 4.66 -6.456464299e-02 -6.456464299e-02 4.68 -6.287303048e-02 -6.287303048e-02 4.70 -6.121832573e-02 -6.121832573e-02 4.72 -5.959891215e-02 -5.959891215e-02 4.74 -5.801333903e-02 -5.801333903e-02 4.76 -5.646031351e-02 -5.646031351e-02 4.78 -5.493869267e-02 -5.493869267e-02 4.80 -5.344747554e-02 -5.344747554e-02 4.82 -5.198579527e-02 -5.198579527e-02 4.84 -5.055291134e-02 -5.055291134e-02 4.86 -4.914820180e-02 -4.914820180e-02 4.88 -4.777115552e-02 -4.777115552e-02 4.90 -4.642136460e-02 -4.642136460e-02 4.92 -4.509851667e-02 -4.509851667e-02 4.94 -4.380238740e-02 -4.380238740e-02 4.96 -4.253283292e-02 -4.253283292e-02 4.98 -4.128978233e-02 -4.128978233e-02 5.00 -4.007323026e-02 -4.007323026e-02 5.02 -3.888322945e-02 -3.888322945e-02 5.04 -3.771988337e-02 -3.771988337e-02 5.06 -3.658333886e-02 -3.658333886e-02 5.08 -3.547377885e-02 -3.547377885e-02 5.10 -3.439141501e-02 -3.439141501e-02 5.12 -3.333648058e-02 -3.333648058e-02 5.14 -3.230922308e-02 -3.230922308e-02 5.16 -3.130986514e-02 -3.130986514e-02 5.18 -3.033791243e-02 -3.033791243e-02 5.20 -2.939222572e-02 -2.939222572e-02 5.22 -2.847174882e-02 -2.847174882e-02 5.24 -2.757553041e-02 -2.757553041e-02 5.26 -2.670271341e-02 -2.670271341e-02 5.28 -2.585252417e-02 -2.585252417e-02 5.30 -2.502426178e-02 -2.502426178e-02 5.32 -2.421728730e-02 -2.421728730e-02 5.34 -2.343101307e-02 -2.343101307e-02 5.36 -2.266489190e-02 -2.266489190e-02 5.38 -2.191840642e-02 -2.191840642e-02 5.40 -2.119105828e-02 -2.119105828e-02 5.42 -2.048235744e-02 -2.048235744e-02 5.44 -1.979181142e-02 -1.979181142e-02 5.46 -1.911891458e-02 -1.911891458e-02 5.48 -1.846313739e-02 -1.846313739e-02 5.50 -1.782391566e-02 -1.782391566e-02 5.52 -1.720063985e-02 -1.720063985e-02 5.54 -1.659264427e-02 -1.659264427e-02 5.56 -1.599919642e-02 -1.599919642e-02 5.58 -1.541948619e-02 -1.541948619e-02 5.60 -1.485261517e-02 -1.485261517e-02 5.62 -1.429758588e-02 -1.429758588e-02 5.64 -1.375329105e-02 -1.375329105e-02 5.66 -1.321850290e-02 -1.321850290e-02 5.68 -1.269186234e-02 -1.269186234e-02 5.70 -1.217186834e-02 -1.217186834e-02 5.72 -1.165687093e-02 -1.165687093e-02 5.74 -1.114577991e-02 -1.114577991e-02 5.76 -1.063898608e-02 -1.063898608e-02 5.78 -1.013710335e-02 -1.013710335e-02 5.80 -9.640769378e-03 -9.640769378e-03 5.82 -9.150641368e-03 -9.150641368e-03 5.84 -8.667391839e-03 -8.667391839e-03 5.86 -8.191704392e-03 -8.191704392e-03 5.88 -7.724269491e-03 -7.724269491e-03 5.90 -7.265780225e-03 -7.265780225e-03 5.92 -6.816928091e-03 -6.816928091e-03 5.94 -6.378398760e-03 -6.378398760e-03 5.96 -5.950867852e-03 -5.950867852e-03 5.98 -5.534996708e-03 -5.534996708e-03 6.00 -5.131428165e-03 -5.131428165e-03