# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CrFeNi2 # 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 -4.281591157e+02 -4.281591157e+02 1.06 -4.033462876e+02 -4.033462876e+02 1.08 -3.804580216e+02 -3.804580216e+02 1.10 -3.592064318e+02 -3.592064318e+02 1.12 -3.394009555e+02 -3.394009555e+02 1.14 -3.208725954e+02 -3.208725954e+02 1.16 -3.032498821e+02 -3.032498821e+02 1.18 -2.864182893e+02 -2.864182893e+02 1.20 -2.702342115e+02 -2.702342115e+02 1.22 -2.547356922e+02 -2.547356922e+02 1.24 -2.402350076e+02 -2.402350076e+02 1.26 -2.269999801e+02 -2.269999801e+02 1.28 -2.147807043e+02 -2.147807043e+02 1.30 -2.034892089e+02 -2.034892089e+02 1.32 -1.929185540e+02 -1.929185540e+02 1.34 -1.829728229e+02 -1.829728229e+02 1.36 -1.734105941e+02 -1.734105941e+02 1.38 -1.641259218e+02 -1.641259218e+02 1.40 -1.549088462e+02 -1.549088462e+02 1.42 -1.458356580e+02 -1.458356580e+02 1.44 -1.369096680e+02 -1.369096680e+02 1.46 -1.280327368e+02 -1.280327368e+02 1.48 -1.192673018e+02 -1.192673018e+02 1.50 -1.105562461e+02 -1.105562461e+02 1.52 -1.018919472e+02 -1.018919472e+02 1.54 -9.331536864e+01 -9.331536864e+01 1.56 -8.490929586e+01 -8.490929586e+01 1.58 -7.677787945e+01 -7.677787945e+01 1.60 -6.905391007e+01 -6.905391007e+01 1.62 -6.182229199e+01 -6.182229199e+01 1.64 -5.506118722e+01 -5.506118722e+01 1.66 -4.869534410e+01 -4.869534410e+01 1.68 -4.277701120e+01 -4.277701120e+01 1.70 -3.724930959e+01 -3.724930959e+01 1.72 -3.207970766e+01 -3.207970766e+01 1.74 -2.720298500e+01 -2.720298500e+01 1.76 -2.260201623e+01 -2.260201623e+01 1.78 -1.830960471e+01 -1.830960471e+01 1.80 -1.441076023e+01 -1.441076023e+01 1.82 -1.100110739e+01 -1.100110739e+01 1.84 -8.077306824e+00 -8.077306824e+00 1.86 -5.880939659e+00 -5.880939659e+00 1.88 -4.330251434e+00 -4.330251434e+00 1.90 -3.269633436e+00 -3.269633436e+00 1.92 -2.580875874e+00 -2.580875874e+00 1.94 -2.173140119e+00 -2.173140119e+00 1.96 -1.973524188e+00 -1.973524188e+00 1.98 -1.921870940e+00 -1.921870940e+00 2.00 -1.966556211e+00 -1.966556138e+00 2.02 -2.072728151e+00 -2.072728151e+00 2.04 -2.224185873e+00 -2.224185873e+00 2.06 -2.399441283e+00 -2.399441283e+00 2.08 -2.585098279e+00 -2.585098279e+00 2.10 -2.772089054e+00 -2.772089054e+00 2.12 -2.958025871e+00 -2.958025871e+00 2.14 -3.128955001e+00 -3.128955001e+00 2.16 -3.295920239e+00 -3.295920239e+00 2.18 -3.451261463e+00 -3.451261463e+00 2.20 -3.593103931e+00 -3.593103931e+00 2.22 -3.719401198e+00 -3.719401198e+00 2.24 -3.831126627e+00 -3.831126627e+00 2.26 -3.929726449e+00 -3.929726449e+00 2.28 -4.015524097e+00 -4.015524097e+00 2.30 -4.089123312e+00 -4.089123312e+00 2.32 -4.151561039e+00 -4.151561039e+00 2.34 -4.196039434e+00 -4.196039434e+00 2.36 -4.233865895e+00 -4.233865895e+00 2.38 -4.262339028e+00 -4.262339028e+00 2.40 -4.274896466e+00 -4.274896466e+00 2.42 -4.282460573e+00 -4.282460573e+00 2.44 -4.282031785e+00 -4.282031785e+00 2.46 -4.274502826e+00 -4.274502826e+00 2.48 -4.260648305e+00 -4.260648305e+00 2.50 -4.241527442e+00 -4.241527442e+00 2.52 -4.217835023e+00 -4.217835023e+00 2.54 -4.189687756e+00 -4.189687756e+00 2.56 -4.157190462e+00 -4.157190462e+00 2.58 -4.120491925e+00 -4.120491925e+00 2.60 -4.078559653e+00 -4.078559653e+00 2.62 -4.033319678e+00 -4.033319678e+00 2.64 -3.984457860e+00 -3.984457860e+00 2.66 -3.932301613e+00 -3.932301613e+00 2.68 -3.877049874e+00 -3.877049874e+00 2.70 -3.818878709e+00 -3.818878709e+00 2.72 -3.758035978e+00 -3.758035978e+00 2.74 -3.694810312e+00 -3.694810312e+00 2.76 -3.629512147e+00 -3.629512147e+00 2.78 -3.562609385e+00 -3.562609385e+00 2.80 -3.494758841e+00 -3.494758841e+00 2.82 -3.426671528e+00 -3.426671528e+00 2.84 -3.359014055e+00 -3.359014055e+00 2.86 -3.292349820e+00 -3.292349820e+00 2.88 -3.227059013e+00 -3.227059013e+00 2.90 -3.163258544e+00 -3.163258544e+00 2.92 -3.101100992e+00 -3.101100992e+00 2.94 -3.040449510e+00 -3.040449510e+00 2.96 -2.981064736e+00 -2.981064736e+00 2.98 -2.922497411e+00 -2.922497411e+00 3.00 -2.861121999e+00 -2.861121999e+00 3.02 -2.793102699e+00 -2.793102699e+00 3.04 -2.716933612e+00 -2.716933612e+00 3.06 -2.628626668e+00 -2.628626668e+00 3.08 -2.525207314e+00 -2.525207314e+00 3.10 -2.403878967e+00 -2.403878967e+00 3.12 -2.262111260e+00 -2.262111260e+00 3.14 -2.090194389e+00 -2.090194389e+00 3.16 -1.896086844e+00 -1.896086844e+00 3.18 -1.674696718e+00 -1.674696718e+00 3.20 -1.430846765e+00 -1.430846765e+00 3.22 -1.174705033e+00 -1.174705033e+00 3.24 -9.165082087e-01 -9.165082087e-01 3.26 -6.659564572e-01 -6.659564572e-01 3.28 -4.316023357e-01 -4.316023357e-01 3.30 -2.200755219e-01 -2.200755219e-01 3.32 -3.540530131e-02 -3.540530131e-02 3.34 1.212405163e-01 1.212405163e-01 3.36 2.511653062e-01 2.511653062e-01 3.38 3.573544821e-01 3.573544821e-01 3.40 4.435012314e-01 4.435012314e-01 3.42 5.130887408e-01 5.130887408e-01 3.44 5.689612112e-01 5.689612112e-01 3.46 6.132094141e-01 6.132094141e-01 3.48 6.472854824e-01 6.472854824e-01 3.50 6.722207482e-01 6.722207482e-01 3.52 6.888444592e-01 6.888444592e-01 3.54 6.979494404e-01 6.979494404e-01 3.56 7.003822761e-01 7.003822761e-01 3.58 6.970545529e-01 6.970545529e-01 3.60 6.889140659e-01 6.889140659e-01 3.62 6.769262292e-01 6.769262292e-01 3.64 6.620575596e-01 6.620575596e-01 3.66 6.452449526e-01 6.452449526e-01 3.68 6.195819699e-01 6.195819699e-01 3.70 5.962038264e-01 5.962038264e-01 3.72 5.712732557e-01 5.712732557e-01 3.74 5.451227125e-01 5.451227125e-01 3.76 5.180246466e-01 5.180246466e-01 3.78 4.901941458e-01 4.901941458e-01 3.80 4.617922754e-01 4.617922754e-01 3.82 4.329292647e-01 4.329292647e-01 3.84 4.036672411e-01 4.036672411e-01 3.86 3.740443448e-01 3.740443448e-01 3.88 3.442374100e-01 3.442374100e-01 3.90 3.145032497e-01 3.145032497e-01 3.92 2.850948459e-01 2.850948459e-01 3.94 2.562291796e-01 2.562291796e-01 3.96 2.280572104e-01 2.280572104e-01 3.98 2.007114942e-01 2.007114942e-01 4.00 1.743116658e-01 1.743116658e-01 4.02 1.489649680e-01 1.489649680e-01 4.04 1.247673306e-01 1.247673306e-01 4.06 1.018032791e-01 1.018032791e-01 4.08 8.014741781e-02 8.014741781e-02 4.10 5.986414534e-02 5.986414534e-02 4.12 4.100912631e-02 4.100912631e-02 4.14 2.363347252e-02 2.363347252e-02 4.16 7.787422452e-03 7.787422452e-03 4.18 -6.485134894e-03 -6.485134894e-03 4.20 -1.915163221e-02 -1.915163221e-02 4.22 -3.021435620e-02 -3.021435620e-02 4.24 -3.969896572e-02 -3.969896572e-02 4.26 -4.756321489e-02 -4.756321489e-02 4.28 -5.380232943e-02 -5.380232943e-02 4.30 -5.845374191e-02 -5.845374191e-02 4.32 -6.157847097e-02 -6.157847097e-02 4.34 -6.324803093e-02 -6.324803093e-02 4.36 -6.353438848e-02 -6.353438848e-02 4.38 -6.250657195e-02 -6.250657195e-02 4.40 -6.022848277e-02 -6.022848277e-02 4.42 -5.676176619e-02 -5.676176619e-02 4.44 -5.216910773e-02 -5.216910773e-02 4.46 -4.652041166e-02 -4.652041166e-02 4.48 -3.990095597e-02 -3.990095597e-02 4.50 -3.242046662e-02 -3.242046662e-02 4.52 -2.421552209e-02 -2.421552209e-02 4.54 -1.542028816e-02 -1.542028816e-02 4.56 -6.195206081e-03 -6.195206081e-03 4.58 3.253531656e-03 3.253531656e-03 4.60 1.267967760e-02 1.267967760e-02 4.62 2.180649004e-02 2.180649004e-02 4.64 3.034673076e-02 3.034673076e-02 4.66 3.803627905e-02 3.803627905e-02 4.68 4.463142447e-02 4.463142447e-02 4.70 4.993388912e-02 4.993388912e-02 4.72 5.381198276e-02 5.381198276e-02 4.74 5.621481023e-02 5.621481023e-02 4.76 5.717610147e-02 5.717610147e-02 4.78 5.681309684e-02 5.681309684e-02 4.80 5.530573337e-02 5.530573337e-02 4.82 5.286305547e-02 5.286305547e-02 4.84 4.971216677e-02 4.971216677e-02 4.86 4.607848434e-02 4.607848434e-02 4.88 4.217015850e-02 4.217015850e-02 4.90 3.816508735e-02 3.816508735e-02 4.92 3.420649180e-02 3.420649180e-02 4.94 3.039974849e-02 3.039974849e-02 4.96 2.681499680e-02 2.681499680e-02 4.98 2.349229846e-02 2.349229846e-02 5.00 2.045120597e-02 2.045120597e-02 5.02 1.769248477e-02 1.769248477e-02 5.04 1.520747629e-02 1.520747629e-02 5.06 1.298247709e-02 1.298247709e-02 5.08 1.100333397e-02 1.100333397e-02 5.10 9.254373510e-03 9.254373510e-03 5.12 7.717854950e-03 7.717854950e-03 5.14 6.375037527e-03 6.375037527e-03 5.16 5.204032418e-03 5.204032418e-03 5.18 4.180632587e-03 4.180632587e-03 5.20 4.406697967e-03 4.406697967e-03 5.22 4.030089952e-03 4.030089952e-03 5.24 3.816455400e-03 3.816455400e-03 5.26 3.746589156e-03 3.746589156e-03 5.28 3.797391873e-03 3.797391873e-03 5.30 3.941937916e-03 3.941937916e-03 5.32 4.149401666e-03 4.149401666e-03 5.34 4.386856688e-03 4.386856688e-03 5.36 4.621356768e-03 4.621356768e-03 5.38 4.820526547e-03 4.820526547e-03 5.40 4.956106344e-03 4.956106344e-03 5.42 5.005827302e-03 5.005827302e-03 5.44 4.954527392e-03 4.954527392e-03 5.46 4.797233300e-03 4.797233300e-03 5.48 4.538496058e-03 4.538496058e-03 5.50 4.191788775e-03 4.191788775e-03 5.52 3.781768843e-03 3.781768843e-03 5.54 3.333092108e-03 3.333092108e-03 5.56 2.863317437e-03 2.863317437e-03 5.58 2.389660986e-03 2.389660986e-03 5.60 1.930666463e-03 1.930666463e-03 5.62 1.502732714e-03 1.502732714e-03 5.64 1.119825921e-03 1.119825921e-03 5.66 7.918686723e-04 7.918686723e-04 5.68 5.244083643e-04 5.244083643e-04 5.70 3.187125431e-04 3.187125431e-04 5.72 1.718082171e-04 1.718082171e-04 5.74 7.727272592e-05 7.727272592e-05 5.76 2.539881165e-05 2.539881165e-05 5.78 4.120403689e-06 4.120403689e-06 5.80 9.925228219e-09 9.925228219e-09 5.82 -1.273879040e-06 -1.273879040e-06 5.84 -1.448611117e-05 -1.448611117e-05 5.86 -5.438944662e-05 -5.438944662e-05 5.88 -1.355400203e-04 -1.355400203e-04 5.90 -2.726976910e-04 -2.726976910e-04 5.92 -4.806069322e-04 -4.806069322e-04 5.94 -7.738304664e-04 -7.738304664e-04 5.96 -1.166920838e-03 -1.166920838e-03 5.98 -1.674603365e-03 -1.674603365e-03 6.00 -1.104943268e-03 -1.115947181e-03