# 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 = Co2CrNi # 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 2.562826464e+04 2.562826464e+04 1.12 2.060462856e+04 2.060462856e+04 1.14 1.662613968e+04 1.662613968e+04 1.16 1.346278728e+04 1.346278728e+04 1.18 1.093789765e+04 1.093789765e+04 1.20 8.915151076e+03 8.915151076e+03 1.22 7.288905557e+03 7.288905557e+03 1.24 5.976946814e+03 5.976946814e+03 1.26 4.915032172e+03 4.915032172e+03 1.28 4.052763766e+03 4.052763766e+03 1.30 3.350452690e+03 3.350452690e+03 1.32 2.776728975e+03 2.776728975e+03 1.34 2.306709524e+03 2.306709524e+03 1.36 1.920587483e+03 1.920587483e+03 1.38 1.602544249e+03 1.602544249e+03 1.40 1.339905759e+03 1.339905759e+03 1.42 1.122484875e+03 1.122484875e+03 1.44 9.420681942e+02 9.420681942e+02 1.46 7.920146311e+02 7.920146311e+02 1.48 6.669392042e+02 6.669392042e+02 1.50 5.624636190e+02 5.624636190e+02 1.52 4.750180187e+02 4.750180187e+02 1.54 4.016841036e+02 4.016841036e+02 1.56 3.400700447e+02 3.400700447e+02 1.58 2.882105531e+02 2.882105531e+02 1.60 2.444873061e+02 2.444873061e+02 1.62 2.075643577e+02 2.075643577e+02 1.64 1.763358547e+02 1.763358547e+02 1.66 1.498846796e+02 1.498846796e+02 1.68 1.274487049e+02 1.274487049e+02 1.70 1.083933113e+02 1.083933113e+02 1.72 9.218910003e+01 9.218910003e+01 1.74 7.839368014e+01 7.839368014e+01 1.76 6.663655360e+01 6.663655360e+01 1.78 5.660666505e+01 5.660666505e+01 1.80 4.804252719e+01 4.804252719e+01 1.82 4.072404149e+01 4.072404149e+01 1.84 3.446553506e+01 3.446553506e+01 1.86 2.911018431e+01 2.911018431e+01 1.88 2.452540841e+01 2.452540841e+01 1.90 2.059899521e+01 2.059899521e+01 1.92 1.723587680e+01 1.723587680e+01 1.94 1.435525763e+01 1.435525763e+01 1.96 1.188821951e+01 1.188821951e+01 1.98 9.775810456e+00 9.775810456e+00 2.00 7.967706367e+00 7.967706367e+00 2.02 6.420942854e+00 6.420942854e+00 2.04 5.098810031e+00 5.098810031e+00 2.06 3.969814702e+00 3.969814702e+00 2.08 3.006970609e+00 3.006970609e+00 2.10 2.187135916e+00 2.187135916e+00 2.12 1.490431505e+00 1.490431505e+00 2.14 8.997734411e-01 8.997734411e-01 2.16 4.004781998e-01 4.004781998e-01 2.18 -2.007124372e-02 -2.007124372e-02 2.20 -3.727080168e-01 -3.727080168e-01 2.22 -6.667606252e-01 -6.667606252e-01 2.24 -9.103927178e-01 -9.103927178e-01 2.26 -1.110681217e+00 -1.110681217e+00 2.28 -1.273731681e+00 -1.273731681e+00 2.30 -1.404812557e+00 -1.404812557e+00 2.32 -1.508463626e+00 -1.508463626e+00 2.34 -1.588588862e+00 -1.588588862e+00 2.36 -1.648590032e+00 -1.648590032e+00 2.38 -1.691481397e+00 -1.691481397e+00 2.40 -1.719881487e+00 -1.719881487e+00 2.42 -1.736056365e+00 -1.736056365e+00 2.44 -1.741962555e+00 -1.741962555e+00 2.46 -1.739283688e+00 -1.739283688e+00 2.48 -1.729461750e+00 -1.729461750e+00 2.50 -1.713723701e+00 -1.713723701e+00 2.52 -1.693104106e+00 -1.693104106e+00 2.54 -1.668464340e+00 -1.668464340e+00 2.56 -1.640508967e+00 -1.640508967e+00 2.58 -1.609831146e+00 -1.609831146e+00 2.60 -1.576970737e+00 -1.576970737e+00 2.62 -1.542370698e+00 -1.542370698e+00 2.64 -1.506396163e+00 -1.506396163e+00 2.66 -1.469405071e+00 -1.469405071e+00 2.68 -1.431723770e+00 -1.431723770e+00 2.70 -1.393630387e+00 -1.393630387e+00 2.72 -1.355346461e+00 -1.355346461e+00 2.74 -1.317046202e+00 -1.317046202e+00 2.76 -1.278876233e+00 -1.278876233e+00 2.78 -1.240959705e+00 -1.240959705e+00 2.80 -1.203399290e+00 -1.203399290e+00 2.82 -1.166279702e+00 -1.166279702e+00 2.84 -1.129669822e+00 -1.129669822e+00 2.86 -1.093624465e+00 -1.093624465e+00 2.88 -1.058190412e+00 -1.058190412e+00 2.90 -1.023417711e+00 -1.023417711e+00 2.92 -9.893516955e-01 -9.893516955e-01 2.94 -9.560317082e-01 -9.560317082e-01 2.96 -9.234918846e-01 -9.234918846e-01 2.98 -8.917617755e-01 -8.917617755e-01 3.00 -8.608668329e-01 -8.608668329e-01 3.02 -8.308287758e-01 -8.308287758e-01 3.04 -8.016658512e-01 -8.016658512e-01 3.06 -7.733930022e-01 -7.733930022e-01 3.08 -7.460219560e-01 -7.460219560e-01 3.10 -7.195612409e-01 -7.195612409e-01 3.12 -6.940161411e-01 -6.940161411e-01 3.14 -6.693885978e-01 -6.693885978e-01 3.16 -6.456770102e-01 -6.456770102e-01 3.18 -6.228726462e-01 -6.228726462e-01 3.20 -6.009579352e-01 -6.009579352e-01 3.22 -5.799119486e-01 -5.799119486e-01 3.24 -5.597106098e-01 -5.597106098e-01 3.26 -5.403263195e-01 -5.403263195e-01 3.28 -5.217275595e-01 -5.217275595e-01 3.30 -5.038784768e-01 -5.038784768e-01 3.32 -4.867413590e-01 -4.867413590e-01 3.34 -4.702857591e-01 -4.702857591e-01 3.36 -4.544808528e-01 -4.544808528e-01 3.38 -4.392923988e-01 -4.392923988e-01 3.40 -4.246823915e-01 -4.246823915e-01 3.42 -4.106087055e-01 -4.106087055e-01 3.44 -3.970247326e-01 -3.970247326e-01 3.46 -3.838812155e-01 -3.838812155e-01 3.48 -3.711508371e-01 -3.711508371e-01 3.50 -3.588228058e-01 -3.588228058e-01 3.52 -3.468873608e-01 -3.468873608e-01 3.54 -3.353354313e-01 -3.353354313e-01 3.56 -3.241585706e-01 -3.241585706e-01 3.58 -3.133488880e-01 -3.133488880e-01 3.60 -3.028989781e-01 -3.028989781e-01 3.62 -2.928018476e-01 -2.928018476e-01 3.64 -2.830508414e-01 -2.830508414e-01 3.66 -2.736395661e-01 -2.736395661e-01 3.68 -2.645618128e-01 -2.645618128e-01 3.70 -2.558114789e-01 -2.558114789e-01 3.72 -2.473824887e-01 -2.473824887e-01 3.74 -2.392687134e-01 -2.392687134e-01 3.76 -2.314638909e-01 -2.314638909e-01 3.78 -2.239615444e-01 -2.239615444e-01 3.80 -2.167549014e-01 -2.167549014e-01 3.82 -2.098368117e-01 -2.098368117e-01 3.84 -2.031996662e-01 -2.031996662e-01 3.86 -1.968353143e-01 -1.968353143e-01 3.88 -1.907349823e-01 -1.907349823e-01 3.90 -1.848891911e-01 -1.848891911e-01 3.92 -1.792876745e-01 -1.792876745e-01 3.94 -1.739192972e-01 -1.739192972e-01 3.96 -1.687719727e-01 -1.687719727e-01 3.98 -1.638325816e-01 -1.638325816e-01 4.00 -1.590868903e-01 -1.590868903e-01 4.02 -1.545194693e-01 -1.545194693e-01 4.04 -1.501136120e-01 -1.501136120e-01 4.06 -1.458530691e-01 -1.458530691e-01 4.08 -1.417299705e-01 -1.417299705e-01 4.10 -1.377394457e-01 -1.377394457e-01 4.12 -1.338768072e-01 -1.338768072e-01 4.14 -1.301375428e-01 -1.301375428e-01 4.16 -1.265173088e-01 -1.265173088e-01 4.18 -1.230119241e-01 -1.230119241e-01 4.20 -1.196173638e-01 -1.196173638e-01 4.22 -1.163297532e-01 -1.163297532e-01 4.24 -1.131453625e-01 -1.131453625e-01 4.26 -1.100606012e-01 -1.100606012e-01 4.28 -1.070720126e-01 -1.070720126e-01 4.30 -1.041762689e-01 -1.041762689e-01 4.32 -1.013701661e-01 -1.013701661e-01 4.34 -9.865061920e-02 -9.865061920e-02 4.36 -9.601465798e-02 -9.601465798e-02 4.38 -9.345942219e-02 -9.345942219e-02 4.40 -9.098215749e-02 -9.098215749e-02 4.42 -8.858021132e-02 -8.858021132e-02 4.44 -8.625102896e-02 -8.625102896e-02 4.46 -8.399214977e-02 -8.399214977e-02 4.48 -8.180091356e-02 -8.180091356e-02 4.50 -7.967364072e-02 -7.967364072e-02 4.52 -7.760660246e-02 -7.760660246e-02 4.54 -7.559631973e-02 -7.559631973e-02 4.56 -7.363955454e-02 -7.363955454e-02 4.58 -7.173330124e-02 -7.173330124e-02 4.60 -6.987477800e-02 -6.987477800e-02 4.62 -6.806141826e-02 -6.806141826e-02 4.64 -6.629086235e-02 -6.629086235e-02 4.66 -6.456094911e-02 -6.456094911e-02 4.68 -6.286970762e-02 -6.286970762e-02 4.70 -6.121534899e-02 -6.121534899e-02 4.72 -5.959625820e-02 -5.959625820e-02 4.74 -5.801098603e-02 -5.801098603e-02 4.76 -5.645824105e-02 -5.645824105e-02 4.78 -5.493688162e-02 -5.493688162e-02 4.80 -5.344590799e-02 -5.344590799e-02 4.82 -5.198445448e-02 -5.198445448e-02 4.84 -5.055178163e-02 -5.055178163e-02 4.86 -4.914726848e-02 -4.914726848e-02 4.88 -4.777040487e-02 -4.777040487e-02 4.90 -4.642078375e-02 -4.642078375e-02 4.92 -4.509809360e-02 -4.509809360e-02 4.94 -4.380211085e-02 -4.380211085e-02 4.96 -4.253269234e-02 -4.253269234e-02 4.98 -4.128976786e-02 -4.128976786e-02 5.00 -4.007333266e-02 -4.007333266e-02 5.02 -3.888344007e-02 -3.888344007e-02 5.04 -3.772019412e-02 -3.772019412e-02 5.06 -3.658374216e-02 -3.658374216e-02 5.08 -3.547426759e-02 -3.547426759e-02 5.10 -3.439198255e-02 -3.439198255e-02 5.12 -3.333712069e-02 -3.333712069e-02 5.14 -3.230992991e-02 -3.230992991e-02 5.16 -3.131063323e-02 -3.131063323e-02 5.18 -3.033873652e-02 -3.033873652e-02 5.20 -2.939310072e-02 -2.939310072e-02 5.22 -2.847266975e-02 -2.847266975e-02 5.24 -2.757649244e-02 -2.757649244e-02 5.26 -2.670371182e-02 -2.670371182e-02 5.28 -2.585355440e-02 -2.585355440e-02 5.30 -2.502531940e-02 -2.502531940e-02 5.32 -2.421836801e-02 -2.421836801e-02 5.34 -2.343211271e-02 -2.343211271e-02 5.36 -2.266600648e-02 -2.266600648e-02 5.38 -2.191953205e-02 -2.191953205e-02 5.40 -2.119219124e-02 -2.119219124e-02 5.42 -2.048349416e-02 -2.048349416e-02 5.44 -1.979294847e-02 -1.979294847e-02 5.46 -1.912004870e-02 -1.912004870e-02 5.48 -1.846426546e-02 -1.846426546e-02 5.50 -1.782503473e-02 -1.782503473e-02 5.52 -1.720174710e-02 -1.720174710e-02 5.54 -1.659373708e-02 -1.659373708e-02 5.56 -1.600027231e-02 -1.600027231e-02 5.58 -1.542054287e-02 -1.542054287e-02 5.60 -1.485365050e-02 -1.485365050e-02 5.62 -1.429859790e-02 -1.429859790e-02 5.64 -1.375427798e-02 -1.375427798e-02 5.66 -1.321946312e-02 -1.321946312e-02 5.68 -1.269279444e-02 -1.269279444e-02 5.70 -1.217277108e-02 -1.217277108e-02 5.72 -1.165774326e-02 -1.165774326e-02 5.74 -1.114662096e-02 -1.114662096e-02 5.76 -1.063979513e-02 -1.063979513e-02 5.78 -1.013787979e-02 -1.013787979e-02 5.80 -9.641512741e-03 -9.641512741e-03 5.82 -9.151351318e-03 -9.151351318e-03 5.84 -8.668068164e-03 -8.668068164e-03 5.86 -8.192347004e-03 -8.192347004e-03 5.88 -7.724878420e-03 -7.724878420e-03 5.90 -7.266355619e-03 -7.266355619e-03 5.92 -6.817470208e-03 -6.817470208e-03 5.94 -6.378907968e-03 -6.378907968e-03 5.96 -5.951344622e-03 -5.951344622e-03 5.98 -5.535441612e-03 -5.535441612e-03 6.00 -5.131841868e-03 -5.131841868e-03