# 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 = CoCr2Mn # 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 3.164956647e+04 3.164956647e+04 1.12 2.545439512e+04 2.545439512e+04 1.14 2.054723381e+04 2.054723381e+04 1.16 1.664472325e+04 1.664472325e+04 1.18 1.352919953e+04 1.352919953e+04 1.20 1.103270464e+04 1.103270464e+04 1.22 9.025068938e+03 9.025068938e+03 1.24 7.404982057e+03 7.404982057e+03 1.26 6.093272822e+03 6.093272822e+03 1.28 5.027826390e+03 5.027826390e+03 1.30 4.159722028e+03 4.159722028e+03 1.32 3.450288851e+03 3.450288851e+03 1.34 2.868848991e+03 2.868848991e+03 1.36 2.390980109e+03 2.390980109e+03 1.38 1.997174906e+03 1.997174906e+03 1.40 1.671801581e+03 1.671801581e+03 1.42 1.402293758e+03 1.402293758e+03 1.44 1.178518187e+03 1.178518187e+03 1.46 9.922799438e+02 9.922799438e+02 1.48 8.369327523e+02 8.369327523e+02 1.50 7.070715644e+02 7.070715644e+02 1.52 5.982883674e+02 5.982883674e+02 1.54 5.069788096e+02 5.069788096e+02 1.56 4.301880319e+02 4.301880319e+02 1.58 3.654874899e+02 3.654874899e+02 1.60 3.108767528e+02 3.108767528e+02 1.62 2.647039284e+02 2.647039284e+02 1.64 2.256012942e+02 2.256012942e+02 1.66 1.924341885e+02 1.924341885e+02 1.68 1.642593557e+02 1.642593557e+02 1.70 1.402910373e+02 1.402910373e+02 1.72 1.198734498e+02 1.198734498e+02 1.74 1.024582985e+02 1.024582985e+02 1.76 8.758615913e+01 8.758615913e+01 1.78 7.487115342e+01 7.487115342e+01 1.80 6.398871744e+01 6.398871744e+01 1.82 5.466547854e+01 5.466547854e+01 1.84 4.667068352e+01 4.667068352e+01 1.86 3.980929368e+01 3.980929368e+01 1.88 3.391627653e+01 3.391627653e+01 1.90 2.885181532e+01 2.885181532e+01 1.92 2.449732133e+01 2.449732133e+01 1.94 2.075192171e+01 2.075192171e+01 1.96 1.752952977e+01 1.752952977e+01 1.98 1.475648776e+01 1.475648776e+01 2.00 1.236985835e+01 1.236985835e+01 2.02 1.031584311e+01 1.031584311e+01 2.04 8.548412715e+00 8.548412715e+00 2.06 7.028044011e+00 7.028044011e+00 2.08 5.720822969e+00 5.720822969e+00 2.10 4.597622523e+00 4.597622523e+00 2.12 3.633385243e+00 3.633385243e+00 2.14 2.806541107e+00 2.806541107e+00 2.16 2.098515229e+00 2.098515229e+00 2.18 1.493310954e+00 1.493310954e+00 2.20 9.771564930e-01 9.771564930e-01 2.22 5.381645664e-01 5.381645664e-01 2.24 1.659386995e-01 1.659386995e-01 2.26 -1.485475590e-01 -1.485475590e-01 2.28 -4.131033965e-01 -4.131033965e-01 2.30 -6.344876996e-01 -6.344876996e-01 2.32 -8.185455227e-01 -8.185455227e-01 2.34 -9.703250758e-01 -9.703250758e-01 2.36 -1.094232963e+00 -1.094232963e+00 2.38 -1.194167550e+00 -1.194167550e+00 2.40 -1.273525225e+00 -1.273525225e+00 2.42 -1.335256983e+00 -1.335256983e+00 2.44 -1.381922981e+00 -1.381922981e+00 2.46 -1.415739257e+00 -1.415739257e+00 2.48 -1.438617729e+00 -1.438617729e+00 2.50 -1.452200410e+00 -1.452200410e+00 2.52 -1.457888650e+00 -1.457888650e+00 2.54 -1.456868086e+00 -1.456868086e+00 2.56 -1.450130039e+00 -1.450130039e+00 2.58 -1.438521900e+00 -1.438521900e+00 2.60 -1.422809944e+00 -1.422809944e+00 2.62 -1.403638031e+00 -1.403638031e+00 2.64 -1.381549778e+00 -1.381549778e+00 2.66 -1.357062822e+00 -1.357062822e+00 2.68 -1.330646145e+00 -1.330646145e+00 2.70 -1.302705059e+00 -1.302705059e+00 2.72 -1.273574336e+00 -1.273574336e+00 2.74 -1.243529090e+00 -1.243529090e+00 2.76 -1.212806145e+00 -1.212806145e+00 2.78 -1.181609359e+00 -1.181609359e+00 2.80 -1.150113660e+00 -1.150113660e+00 2.82 -1.118468504e+00 -1.118468504e+00 2.84 -1.086800808e+00 -1.086800808e+00 2.86 -1.055217452e+00 -1.055217452e+00 2.88 -1.023812011e+00 -1.023812011e+00 2.90 -9.926767853e-01 -9.926767853e-01 2.92 -9.618951727e-01 -9.618951727e-01 2.94 -9.315408119e-01 -9.315408119e-01 2.96 -9.016787566e-01 -9.016787566e-01 2.98 -8.723664501e-01 -8.723664501e-01 3.00 -8.436545225e-01 -8.436545225e-01 3.02 -8.155874325e-01 -8.155874325e-01 3.04 -7.882039735e-01 -7.882039735e-01 3.06 -7.615376602e-01 -7.615376602e-01 3.08 -7.356170093e-01 -7.356170093e-01 3.10 -7.104657294e-01 -7.104657294e-01 3.12 -6.861028280e-01 -6.861028280e-01 3.14 -6.625426490e-01 -6.625426490e-01 3.16 -6.397947934e-01 -6.397947934e-01 3.18 -6.178605820e-01 -6.178605820e-01 3.20 -5.967314203e-01 -5.967314203e-01 3.22 -5.763944565e-01 -5.763944565e-01 3.24 -5.568328749e-01 -5.568328749e-01 3.26 -5.380255865e-01 -5.380255865e-01 3.28 -5.199468905e-01 -5.199468905e-01 3.30 -5.025661096e-01 -5.025661096e-01 3.32 -4.858501669e-01 -4.858501669e-01 3.34 -4.697729344e-01 -4.697729344e-01 3.36 -4.543074871e-01 -4.543074871e-01 3.38 -4.394230436e-01 -4.394230436e-01 3.40 -4.250846482e-01 -4.250846482e-01 3.42 -4.112528407e-01 -4.112528407e-01 3.44 -3.978833163e-01 -3.978833163e-01 3.46 -3.849288155e-01 -3.849288155e-01 3.48 -3.723641485e-01 -3.723641485e-01 3.50 -3.601807106e-01 -3.601807106e-01 3.52 -3.483707482e-01 -3.483707482e-01 3.54 -3.369270282e-01 -3.369270282e-01 3.56 -3.258427882e-01 -3.258427882e-01 3.58 -3.151116809e-01 -3.151116809e-01 3.60 -3.047277149e-01 -3.047277149e-01 3.62 -2.946851934e-01 -2.946851934e-01 3.64 -2.849786485e-01 -2.849786485e-01 3.66 -2.756027738e-01 -2.756027738e-01 3.68 -2.665523551e-01 -2.665523551e-01 3.70 -2.578221987e-01 -2.578221987e-01 3.72 -2.494070579e-01 -2.494070579e-01 3.74 -2.413015595e-01 -2.413015595e-01 3.76 -2.335001271e-01 -2.335001271e-01 3.78 -2.259969050e-01 -2.259969050e-01 3.80 -2.187856807e-01 -2.187856807e-01 3.82 -2.118598063e-01 -2.118598063e-01 3.84 -2.052121203e-01 -2.052121203e-01 3.86 -1.988348674e-01 -1.988348674e-01 3.88 -1.927196198e-01 -1.927196198e-01 3.90 -1.868571964e-01 -1.868571964e-01 3.92 -1.812375826e-01 -1.812375826e-01 3.94 -1.758498504e-01 -1.758498504e-01 3.96 -1.706820770e-01 -1.706820770e-01 3.98 -1.657212647e-01 -1.657212647e-01 4.00 -1.609532599e-01 -1.609532599e-01 4.02 -1.563626721e-01 -1.563626721e-01 4.04 -1.519327936e-01 -1.519327936e-01 4.06 -1.476473623e-01 -1.476473623e-01 4.08 -1.434986068e-01 -1.434986068e-01 4.10 -1.394817854e-01 -1.394817854e-01 4.12 -1.355923275e-01 -1.355923275e-01 4.14 -1.318258266e-01 -1.318258266e-01 4.16 -1.281780347e-01 -1.281780347e-01 4.18 -1.246448568e-01 -1.246448568e-01 4.20 -1.212223459e-01 -1.212223459e-01 4.22 -1.179066976e-01 -1.179066976e-01 4.24 -1.146942452e-01 -1.146942452e-01 4.26 -1.115814547e-01 -1.115814547e-01 4.28 -1.085649201e-01 -1.085649201e-01 4.30 -1.056413590e-01 -1.056413590e-01 4.32 -1.028076077e-01 -1.028076077e-01 4.34 -1.000606173e-01 -1.000606173e-01 4.36 -9.739744924e-02 -9.739744924e-02 4.38 -9.481527149e-02 -9.481527149e-02 4.40 -9.231135433e-02 -9.231135433e-02 4.42 -8.988306681e-02 -8.988306681e-02 4.44 -8.752787297e-02 -8.752787297e-02 4.46 -8.524332835e-02 -8.524332835e-02 4.48 -8.302678079e-02 -8.302678079e-02 4.50 -8.087453439e-02 -8.087453439e-02 4.52 -7.878283957e-02 -7.878283957e-02 4.54 -7.674819823e-02 -7.674819823e-02 4.56 -7.476735505e-02 -7.476735505e-02 4.58 -7.283728885e-02 -7.283728885e-02 4.60 -7.095520406e-02 -7.095520406e-02 4.62 -6.911852214e-02 -6.911852214e-02 4.64 -6.732487323e-02 -6.732487323e-02 4.66 -6.557208773e-02 -6.557208773e-02 4.68 -6.385818800e-02 -6.385818800e-02 4.70 -6.218138011e-02 -6.218138011e-02 4.72 -6.054004566e-02 -6.054004566e-02 4.74 -5.893273362e-02 -5.893273362e-02 4.76 -5.735815228e-02 -5.735815228e-02 4.78 -5.581516122e-02 -5.581516122e-02 4.80 -5.430276330e-02 -5.430276330e-02 4.82 -5.282009679e-02 -5.282009679e-02 4.84 -5.136642743e-02 -5.136642743e-02 4.86 -4.994114065e-02 -4.994114065e-02 4.88 -4.854373377e-02 -4.854373377e-02 4.90 -4.717380824e-02 -4.717380824e-02 4.92 -4.583106195e-02 -4.583106195e-02 4.94 -4.451528157e-02 -4.451528157e-02 4.96 -4.322633491e-02 -4.322633491e-02 4.98 -4.196416337e-02 -4.196416337e-02 5.00 -4.072877435e-02 -4.072877435e-02 5.02 -3.952023376e-02 -3.952023376e-02 5.04 -3.833865853e-02 -3.833865853e-02 5.06 -3.718420915e-02 -3.718420915e-02 5.08 -3.605708228e-02 -3.605708228e-02 5.10 -3.495750332e-02 -3.495750332e-02 5.12 -3.388571908e-02 -3.388571908e-02 5.14 -3.284199043e-02 -3.284199043e-02 5.16 -3.182655245e-02 -3.182655245e-02 5.18 -3.083891009e-02 -3.083891009e-02 5.20 -2.987791169e-02 -2.987791169e-02 5.22 -2.894248965e-02 -2.894248965e-02 5.24 -2.803168282e-02 -2.803168282e-02 5.26 -2.714462552e-02 -2.714462552e-02 5.28 -2.628053667e-02 -2.628053667e-02 5.30 -2.543870881e-02 -2.543870881e-02 5.32 -2.461849719e-02 -2.461849719e-02 5.34 -2.381930886e-02 -2.381930886e-02 5.36 -2.304059171e-02 -2.304059171e-02 5.38 -2.228182357e-02 -2.228182357e-02 5.40 -2.154250126e-02 -2.154250126e-02 5.42 -2.082212967e-02 -2.082212967e-02 5.44 -2.012021084e-02 -2.012021084e-02 5.46 -1.943623303e-02 -1.943623303e-02 5.48 -1.876965975e-02 -1.876965975e-02 5.50 -1.811991891e-02 -1.811991891e-02 5.52 -1.748639182e-02 -1.748639182e-02 5.54 -1.686840230e-02 -1.686840230e-02 5.56 -1.626520575e-02 -1.626520575e-02 5.58 -1.567597820e-02 -1.567597820e-02 5.60 -1.509980540e-02 -1.509980540e-02 5.62 -1.453567188e-02 -1.453567188e-02 5.64 -1.398245005e-02 -1.398245005e-02 5.66 -1.343888922e-02 -1.343888922e-02 5.68 -1.290360472e-02 -1.290360472e-02 5.70 -1.237506695e-02 -1.237506695e-02 5.72 -1.185159439e-02 -1.185159439e-02 5.74 -1.133207587e-02 -1.133207587e-02 5.76 -1.081690970e-02 -1.081690970e-02 5.78 -1.030672140e-02 -1.030672140e-02 5.80 -9.802160616e-03 -9.802160616e-03 5.82 -9.303896795e-03 -9.303896795e-03 5.84 -8.812614881e-03 -8.812614881e-03 5.86 -8.329011031e-03 -8.329011031e-03 5.88 -7.853788312e-03 -7.853788312e-03 5.90 -7.387652408e-03 -7.387652408e-03 5.92 -6.931307321e-03 -6.931307321e-03 5.94 -6.485451077e-03 -6.485451077e-03 5.96 -6.050771426e-03 -6.050771426e-03 5.98 -5.627941548e-03 -5.627941548e-03 6.00 -5.217615753e-03 -5.217615753e-03