# 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 = CoFeMg2 # 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 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 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.886136664e+02 2.886136664e+02 1.30 2.658234786e+02 2.658234786e+02 1.32 2.448450662e+02 2.448450662e+02 1.34 2.255242872e+02 2.255242872e+02 1.36 2.077220541e+02 2.077220541e+02 1.38 1.913132678e+02 1.913132678e+02 1.40 1.761850377e+02 1.761850377e+02 1.42 1.622346994e+02 1.622346994e+02 1.44 1.493681385e+02 1.493681385e+02 1.46 1.374988300e+02 1.374988300e+02 1.48 1.265475673e+02 1.265475673e+02 1.50 1.164422646e+02 1.164422646e+02 1.52 1.071172942e+02 1.071172942e+02 1.54 9.851249937e+01 9.851249937e+01 1.56 9.057239122e+01 9.057239122e+01 1.58 8.324588492e+01 8.324588492e+01 1.60 7.648641126e+01 7.648641126e+01 1.62 7.024978373e+01 7.024978373e+01 1.64 6.449516626e+01 6.449516626e+01 1.66 5.918486279e+01 5.918486279e+01 1.68 5.428394695e+01 5.428394695e+01 1.70 4.976022359e+01 4.976022359e+01 1.72 4.558413592e+01 4.558413592e+01 1.74 4.172857426e+01 4.172857426e+01 1.76 3.816866296e+01 3.816866296e+01 1.78 3.488160790e+01 3.488160790e+01 1.80 3.184657715e+01 3.184657715e+01 1.82 2.904455517e+01 2.904455517e+01 1.84 2.645814107e+01 2.645814107e+01 1.86 2.407134620e+01 2.407134620e+01 1.88 2.186940981e+01 2.186940981e+01 1.90 1.983864055e+01 1.983864055e+01 1.92 1.796627350e+01 1.796627350e+01 1.94 1.624035496e+01 1.624035496e+01 1.96 1.464967062e+01 1.464967062e+01 1.98 1.318372541e+01 1.318372541e+01 2.00 1.183275561e+01 1.183275561e+01 2.02 1.058774596e+01 1.058774596e+01 2.04 9.440429235e+00 9.440429235e+00 2.06 8.383256061e+00 8.383256061e+00 2.08 7.409338650e+00 7.409338650e+00 2.10 6.512384629e+00 6.512384629e+00 2.12 5.686631453e+00 5.686631453e+00 2.14 4.926787911e+00 4.926787911e+00 2.16 4.227985621e+00 4.227985621e+00 2.18 3.585735875e+00 3.585735875e+00 2.20 2.995892810e+00 2.995892810e+00 2.22 2.454617782e+00 2.454617782e+00 2.24 1.958350410e+00 1.958350410e+00 2.26 1.503786492e+00 1.503786492e+00 2.28 1.087859965e+00 1.087859965e+00 2.30 7.077318077e-01 7.077318077e-01 2.32 3.607649898e-01 3.607649898e-01 2.34 4.447840121e-02 4.447840121e-02 2.36 -2.433389719e-01 -2.433389719e-01 2.38 -5.047292372e-01 -5.047292372e-01 2.40 -7.416023046e-01 -7.416023046e-01 2.42 -9.557480850e-01 -9.557480850e-01 2.44 -1.148846778e+00 -1.148846778e+00 2.46 -1.322479337e+00 -1.322479337e+00 2.48 -1.478113953e+00 -1.478113953e+00 2.50 -1.617057921e+00 -1.617057921e+00 2.52 -1.740542425e+00 -1.740542425e+00 2.54 -1.849742448e+00 -1.849742448e+00 2.56 -1.945776995e+00 -1.945776995e+00 2.58 -2.029708311e+00 -2.029708311e+00 2.60 -2.102537869e+00 -2.102537869e+00 2.62 -2.165196952e+00 -2.165196952e+00 2.64 -2.218475343e+00 -2.218475343e+00 2.66 -2.263010078e+00 -2.263010078e+00 2.68 -2.299386273e+00 -2.299386273e+00 2.70 -2.328147379e+00 -2.328147379e+00 2.72 -2.349803588e+00 -2.349803588e+00 2.74 -2.364841750e+00 -2.364841750e+00 2.76 -2.373733882e+00 -2.373733882e+00 2.78 -2.376942722e+00 -2.376942722e+00 2.80 -2.374925546e+00 -2.374925546e+00 2.82 -2.368132749e+00 -2.368132749e+00 2.84 -2.357006955e+00 -2.357006955e+00 2.86 -2.341978906e+00 -2.341978906e+00 2.88 -2.323462608e+00 -2.323462608e+00 2.90 -2.301850335e+00 -2.301850335e+00 2.92 -2.277508512e+00 -2.277508512e+00 2.94 -2.250775327e+00 -2.250775327e+00 2.96 -2.221960480e+00 -2.221960480e+00 2.98 -2.191346804e+00 -2.191346804e+00 3.00 -2.159204275e+00 -2.159204275e+00 3.02 -2.125807940e+00 -2.125807940e+00 3.04 -2.091323564e+00 -2.091323564e+00 3.06 -2.055896157e+00 -2.055896157e+00 3.08 -2.019657663e+00 -2.019657663e+00 3.10 -1.982725477e+00 -1.982725477e+00 3.12 -1.945200941e+00 -1.945200941e+00 3.14 -1.907158043e+00 -1.907158043e+00 3.16 -1.868560251e+00 -1.868560251e+00 3.18 -1.829345029e+00 -1.829345029e+00 3.20 -1.789479765e+00 -1.789479765e+00 3.22 -1.748965671e+00 -1.748965671e+00 3.24 -1.707840352e+00 -1.707840352e+00 3.26 -1.666178298e+00 -1.666178298e+00 3.28 -1.624088716e+00 -1.624088716e+00 3.30 -1.581710488e+00 -1.581710488e+00 3.32 -1.539204497e+00 -1.539204497e+00 3.34 -1.496744062e+00 -1.496744062e+00 3.36 -1.454504658e+00 -1.454504658e+00 3.38 -1.412654246e+00 -1.412654246e+00 3.40 -1.371345248e+00 -1.371345248e+00 3.42 -1.330709469e+00 -1.330709469e+00 3.44 -1.290854469e+00 -1.290854469e+00 3.46 -1.251863403e+00 -1.251863403e+00 3.48 -1.213796027e+00 -1.213796027e+00 3.50 -1.176691009e+00 -1.176691009e+00 3.52 -1.140568907e+00 -1.140568907e+00 3.54 -1.105435350e+00 -1.105435350e+00 3.56 -1.071284161e+00 -1.071284161e+00 3.58 -1.038100194e+00 -1.038100194e+00 3.60 -1.005861812e+00 -1.005861812e+00 3.62 -9.745429749e-01 -9.745429749e-01 3.64 -9.441149477e-01 -9.441149477e-01 3.66 -9.145476899e-01 -9.145476899e-01 3.68 -8.858109715e-01 -8.858109715e-01 3.70 -8.578752742e-01 -8.578752742e-01 3.72 -8.307125203e-01 -8.307125203e-01 3.74 -8.042966563e-01 -8.042966563e-01 3.76 -7.786040989e-01 -7.786040989e-01 3.78 -7.536140346e-01 -7.536140346e-01 3.80 -7.293085469e-01 -7.293085469e-01 3.82 -7.056725394e-01 -7.056725394e-01 3.84 -6.826934305e-01 -6.826934305e-01 3.86 -6.603606142e-01 -6.603606142e-01 3.88 -6.386647228e-01 -6.386647228e-01 3.90 -6.175967689e-01 -6.175967689e-01 3.92 -5.971470545e-01 -5.971470545e-01 3.94 -5.773053766e-01 -5.773053766e-01 3.96 -5.580590022e-01 -5.580590022e-01 3.98 -5.393935016e-01 -5.393935016e-01 4.00 -5.212925178e-01 -5.212925178e-01 4.02 -5.037380636e-01 -5.037380636e-01 4.04 -4.867109839e-01 -4.867109839e-01 4.06 -4.701915094e-01 -4.701915094e-01 4.08 -4.541598357e-01 -4.541598357e-01 4.10 -4.385960807e-01 -4.385960807e-01 4.12 -4.234833831e-01 -4.234833831e-01 4.14 -4.088043352e-01 -4.088043352e-01 4.16 -3.945442913e-01 -3.945442913e-01 4.18 -3.806909717e-01 -3.806909717e-01 4.20 -3.672347346e-01 -3.672347346e-01 4.22 -3.541687047e-01 -3.541687047e-01 4.24 -3.414887121e-01 -3.414887121e-01 4.26 -3.291929998e-01 -3.291929998e-01 4.28 -3.172816852e-01 -3.172816852e-01 4.30 -3.057559986e-01 -3.057559986e-01 4.32 -2.946173689e-01 -2.946173689e-01 4.34 -2.838664658e-01 -2.838664658e-01 4.36 -2.735023254e-01 -2.735023254e-01 4.38 -2.635216771e-01 -2.635216771e-01 4.40 -2.539185510e-01 -2.539185510e-01 4.42 -2.446841913e-01 -2.446841913e-01 4.44 -2.358072465e-01 -2.358072465e-01 4.46 -2.272741669e-01 -2.272741669e-01 4.48 -2.190697212e-01 -2.190697212e-01 4.50 -2.111775472e-01 -2.111775472e-01 4.52 -2.035806692e-01 -2.035806692e-01 4.54 -1.962619387e-01 -1.962619387e-01 4.56 -1.892043801e-01 -1.892043801e-01 4.58 -1.823914410e-01 -1.823914410e-01 4.60 -1.758071598e-01 -1.758071598e-01 4.62 -1.694362722e-01 -1.694362722e-01 4.64 -1.632642755e-01 -1.632642755e-01 4.66 -1.572774738e-01 -1.572774738e-01 4.68 -1.514630219e-01 -1.514630219e-01 4.70 -1.458089809e-01 -1.458089809e-01 4.72 -1.403043981e-01 -1.403043981e-01 4.74 -1.349394166e-01 -1.349394166e-01 4.76 -1.297054142e-01 -1.297054142e-01 4.78 -1.245951698e-01 -1.245951698e-01 4.80 -1.196026425e-01 -1.196026425e-01 4.82 -1.147248243e-01 -1.147248243e-01 4.84 -1.099592582e-01 -1.099592582e-01 4.86 -1.053059748e-01 -1.053059748e-01 4.88 -1.007670069e-01 -1.007670069e-01 4.90 -9.634627381e-02 -9.634627381e-02 4.92 -9.204932717e-02 -9.204932717e-02 4.94 -8.788295642e-02 -8.788295642e-02 4.96 -8.385465246e-02 -8.385465246e-02 4.98 -7.997200282e-02 -7.997200282e-02 5.00 -7.624204838e-02 -7.624204838e-02 5.02 -7.267067281e-02 -7.267067281e-02 5.04 -6.926209106e-02 -6.926209106e-02 5.06 -6.601848821e-02 -6.601848821e-02 5.08 -6.293983825e-02 -6.293983825e-02 5.10 -6.002372345e-02 -6.002372345e-02 5.12 -5.726518653e-02 -5.726518653e-02 5.14 -5.465851827e-02 -5.465851827e-02 5.16 -5.219662782e-02 -5.219662782e-02 5.18 -4.987133654e-02 -4.987133654e-02 5.20 -4.767380543e-02 -4.767380543e-02 5.22 -4.559492316e-02 -4.559492316e-02 5.24 -4.362563645e-02 -4.362563645e-02 5.26 -4.175721530e-02 -4.175721530e-02 5.28 -3.998145316e-02 -3.998145316e-02 5.30 -3.829080733e-02 -3.829080733e-02 5.32 -3.667848730e-02 -3.667848730e-02 5.34 -3.513849896e-02 -3.513849896e-02 5.36 -3.366565222e-02 -3.366565222e-02 5.38 -3.225553768e-02 -3.225553768e-02 5.40 -3.090447786e-02 -3.090447786e-02 5.42 -2.960945702e-02 -2.960945702e-02 5.44 -2.836803312e-02 -2.836803312e-02 5.46 -2.717823662e-02 -2.717823662e-02 5.48 -2.603846092e-02 -2.603846092e-02 5.50 -2.494735053e-02 -2.494735053e-02 5.52 -2.390369332e-02 -2.390369332e-02 5.54 -2.290632322e-02 -2.290632322e-02 5.56 -2.195403908e-02 -2.195403908e-02 5.58 -2.104554344e-02 -2.104554344e-02 5.60 -2.017940331e-02 -2.017940331e-02 5.62 -1.935403259e-02 -1.935403259e-02 5.64 -1.856769376e-02 -1.856769376e-02 5.66 -1.781851495e-02 -1.781851495e-02 5.68 -1.710451791e-02 -1.710451791e-02 5.70 -1.642365202e-02 -1.642365202e-02 5.72 -1.577383017e-02 -1.577383017e-02 5.74 -1.515296247e-02 -1.515296247e-02 5.76 -1.455894837e-02 -1.455894837e-02 5.78 -1.398976439e-02 -1.398976439e-02 5.80 -1.344348616e-02 -1.344348616e-02 5.82 -1.291827431e-02 -1.291827431e-02 5.84 -1.241238350e-02 -1.241238350e-02 5.86 -1.192416738e-02 -1.192416738e-02 5.88 -1.145208066e-02 -1.145208066e-02 5.90 -1.099467907e-02 -1.099467907e-02 5.92 -1.055061834e-02 -1.055061834e-02 5.94 -1.011865297e-02 -1.011865297e-02 5.96 -9.697635399e-03 -9.697635399e-03 5.98 -9.286516217e-03 -9.286516217e-03 6.00 -8.884345730e-03 -8.884345730e-03