# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1 # composition = FeMn # 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 2024-01-04 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan 1.118105458e+03 1.118105458e+03 nan nan 0.78 nan nan nan nan 1.015278084e+03 1.015278084e+03 nan nan 0.80 nan nan nan nan 9.230930722e+02 9.230930722e+02 nan nan 0.82 nan nan nan nan 8.401558832e+02 8.401558832e+02 nan nan 0.84 nan nan nan nan 7.658566802e+02 7.658566802e+02 nan nan 0.86 1.182203732e+03 1.182203732e+03 nan nan 6.994978713e+02 6.994978713e+02 nan nan 0.88 1.087943568e+03 1.087943568e+03 nan nan 6.402403072e+02 6.402403072e+02 nan nan 0.90 1.002172780e+03 1.002172780e+03 nan nan 5.872642739e+02 5.872642739e+02 nan nan 0.92 9.234217272e+02 9.234217272e+02 nan nan 5.399255445e+02 5.399255445e+02 nan nan 0.94 8.509675427e+02 8.509675427e+02 nan nan 4.976557245e+02 4.976557245e+02 nan nan 0.96 7.843563834e+02 7.843563834e+02 nan nan 4.598447182e+02 4.598447182e+02 nan nan 0.98 7.231603357e+02 7.231603357e+02 1.003543590e+03 1.003543590e+03 4.259014994e+02 4.259014994e+02 1.066110669e+03 1.066110669e+03 1.00 6.669627321e+02 6.669627321e+02 9.322069434e+02 9.322069434e+02 3.953134882e+02 3.953134882e+02 9.864398439e+02 9.864398439e+02 1.02 6.153058932e+02 6.153058932e+02 8.665913529e+02 8.665913529e+02 3.675964032e+02 3.675964032e+02 9.135475071e+02 9.135475071e+02 1.04 5.677911180e+02 5.677911180e+02 8.057072415e+02 8.057072415e+02 3.421905247e+02 3.421905247e+02 8.467591529e+02 8.467591529e+02 1.06 5.241044243e+02 5.241044243e+02 7.486749636e+02 7.486749636e+02 3.185563832e+02 3.185563832e+02 7.854042353e+02 7.854042353e+02 1.08 4.838995933e+02 4.838995933e+02 6.951014221e+02 6.951014221e+02 2.964641086e+02 2.964641086e+02 7.288113456e+02 7.288113456e+02 1.10 4.468025354e+02 4.468025354e+02 6.447459164e+02 6.447459164e+02 2.758009351e+02 2.758009351e+02 6.763882856e+02 6.763882856e+02 1.12 4.124476405e+02 4.124476405e+02 5.973449419e+02 5.973449419e+02 2.563941741e+02 2.563941741e+02 6.275723674e+02 6.275723674e+02 1.14 3.805351266e+02 3.805351266e+02 5.527395577e+02 5.527395577e+02 2.381094616e+02 2.381094616e+02 5.817910511e+02 5.817910511e+02 1.16 3.508055612e+02 3.508055612e+02 5.108033664e+02 5.108033664e+02 2.208799416e+02 2.208799416e+02 5.387180617e+02 5.387180617e+02 1.18 3.230377077e+02 3.230377077e+02 4.713981089e+02 4.713981089e+02 2.046275885e+02 2.046275885e+02 4.981762691e+02 4.981762691e+02 1.20 2.971048358e+02 2.971048358e+02 4.344170001e+02 4.344170001e+02 1.893052065e+02 1.893052065e+02 4.599863476e+02 4.599863476e+02 1.22 2.729069252e+02 2.729069252e+02 3.997752713e+02 3.997752713e+02 1.748768513e+02 1.748768513e+02 4.240096990e+02 4.240096990e+02 1.24 2.503796970e+02 2.503796970e+02 3.673463977e+02 3.673463977e+02 1.612734563e+02 1.612734563e+02 3.901232421e+02 3.901232421e+02 1.26 2.294403004e+02 2.294403004e+02 3.369704369e+02 3.369704369e+02 1.484222740e+02 1.484222740e+02 3.582294446e+02 3.582294446e+02 1.28 2.100012451e+02 2.100012451e+02 3.085369589e+02 3.085369589e+02 1.363045058e+02 1.363045058e+02 3.282410237e+02 3.282410237e+02 1.30 1.919301345e+02 1.919301345e+02 2.819185044e+02 2.819185044e+02 1.248933449e+02 1.248933449e+02 3.000972602e+02 3.000972602e+02 1.32 1.751417034e+02 1.751417034e+02 2.569713522e+02 2.569713522e+02 1.141363334e+02 1.141363334e+02 2.737575168e+02 2.737575168e+02 1.34 1.595558224e+02 1.595558224e+02 2.335633471e+02 2.335633471e+02 1.039762826e+02 1.039762826e+02 2.491727757e+02 2.491727757e+02 1.36 1.450879952e+02 1.450879952e+02 2.116247441e+02 2.116247441e+02 9.438200032e+01 9.438200032e+01 2.262877445e+02 2.262877445e+02 1.38 1.316470534e+02 1.316470534e+02 1.911203344e+02 1.911203344e+02 8.534131172e+01 8.534131172e+01 2.050228044e+02 2.050228044e+02 1.40 1.191479232e+02 1.191479232e+02 1.720202993e+02 1.720202993e+02 7.685128788e+01 7.685128788e+01 1.852937246e+02 1.852937246e+02 1.42 1.075051659e+02 1.075051659e+02 1.542657618e+02 1.542657618e+02 6.891311347e+01 6.891311347e+01 1.670093785e+02 1.670093785e+02 1.44 9.662800389e+01 9.662800389e+01 1.378296224e+02 1.378296224e+02 6.152783483e+01 6.152783483e+01 1.500526560e+02 1.500526560e+02 1.46 8.647373176e+01 8.647373176e+01 1.226767868e+02 1.226767868e+02 5.468916152e+01 5.468916152e+01 1.343059025e+02 1.343059025e+02 1.48 7.700895687e+01 7.700895687e+01 1.087452427e+02 1.087452427e+02 4.837967268e+01 4.837967268e+01 1.197061832e+02 1.197061832e+02 1.50 6.819985667e+01 6.819985667e+01 9.596690543e+01 9.596690543e+01 4.257558446e+01 4.257558446e+01 1.061929689e+02 1.061929689e+02 1.52 6.002282443e+01 6.002282443e+01 8.429234677e+01 8.429234677e+01 3.725596809e+01 3.725596809e+01 9.371275894e+01 9.371275894e+01 1.54 5.245622739e+01 5.245622739e+01 7.367509635e+01 7.367509635e+01 3.240150088e+01 3.240150088e+01 8.221319105e+01 8.221319105e+01 1.56 4.547830526e+01 4.547830526e+01 6.406996232e+01 6.406996232e+01 2.799265882e+01 2.799265882e+01 7.165844637e+01 7.165844637e+01 1.58 3.907436092e+01 3.907436092e+01 5.542493254e+01 5.542493254e+01 2.400782128e+01 2.400782128e+01 6.202682986e+01 6.202682986e+01 1.60 3.323896231e+01 3.323896231e+01 4.767104518e+01 4.767104518e+01 2.041800587e+01 2.041800587e+01 5.329202897e+01 5.329202897e+01 1.62 2.796777706e+01 2.796777706e+01 4.074278909e+01 4.074278909e+01 1.719561240e+01 1.719561240e+01 4.541904186e+01 4.541904186e+01 1.64 2.325552422e+01 2.325552422e+01 3.457719939e+01 3.457719939e+01 1.431502672e+01 1.431502672e+01 3.836886070e+01 3.836886070e+01 1.66 1.908214436e+01 1.908214436e+01 2.911018346e+01 2.911018346e+01 1.175058197e+01 1.175058197e+01 3.209857141e+01 3.209857141e+01 1.68 1.541280961e+01 1.541280961e+01 2.427999443e+01 2.427999443e+01 9.478386893e+00 9.478386893e+00 2.656923776e+01 2.656923776e+01 1.70 1.221232010e+01 1.221232010e+01 2.002774527e+01 2.002774527e+01 7.476247419e+00 7.476247419e+00 2.174271632e+01 2.174271632e+01 1.72 9.445544344e+00 9.445544344e+00 1.629469675e+01 1.629469675e+01 5.721941628e+00 5.721941628e+00 1.756887056e+01 1.756887056e+01 1.74 7.078206580e+00 7.078206580e+00 1.302117339e+01 1.302117339e+01 4.193062435e+00 4.193062435e+00 1.399471083e+01 1.399471083e+01 1.76 5.074958970e+00 5.074958970e+00 1.015521226e+01 1.015521226e+01 2.871998249e+00 2.871998249e+00 1.096894051e+01 1.096894051e+01 1.78 3.399450088e+00 3.399450088e+00 7.672498201e+00 7.672498201e+00 1.746129671e+00 1.746129671e+00 8.438967349e+00 8.438967349e+00 1.80 2.017320813e+00 2.017320813e+00 5.550878693e+00 5.550878693e+00 8.015732561e-01 8.015732561e-01 6.351161888e+00 6.351161888e+00 1.82 8.989572220e-01 8.989572220e-01 3.767599361e+00 3.767599361e+00 2.401902475e-02 2.401902475e-02 4.653330610e+00 4.653330610e+00 1.84 1.416481809e-02 1.416481809e-02 2.298118274e+00 2.298118274e+00 -6.008144417e-01 -6.008144417e-01 3.293195811e+00 3.293195811e+00 1.86 -6.684947336e-01 -6.684947336e-01 1.115102663e+00 1.115102663e+00 -1.087422072e+00 -1.087422072e+00 2.217882486e+00 2.217882486e+00 1.88 -1.179280810e+00 -1.179280810e+00 1.896709533e-01 1.896709533e-01 -1.451160549e+00 -1.451160549e+00 1.377442574e+00 1.377442574e+00 1.90 -1.548431779e+00 -1.548431779e+00 -5.065920895e-01 -5.065920895e-01 -1.706453281e+00 -1.706453281e+00 7.294416456e-01 7.294416456e-01 1.92 -1.806011025e+00 -1.806011025e+00 -1.001648896e+00 -1.001648896e+00 -1.866369450e+00 -1.866369450e+00 2.360968701e-01 2.360968701e-01 1.94 -1.978464389e+00 -1.978464389e+00 -1.332327915e+00 -1.332327915e+00 -1.948720345e+00 -1.948720345e+00 -1.400863923e-01 -1.400863923e-01 1.96 -2.088841406e+00 -2.088841406e+00 -1.538398663e+00 -1.538398663e+00 -1.973112582e+00 -1.973112582e+00 -4.355403184e-01 -4.355403184e-01 1.98 -2.160259294e+00 -2.160259294e+00 -1.659673346e+00 -1.659673346e+00 -1.959154720e+00 -1.959154720e+00 -6.784554860e-01 -6.784554860e-01 2.00 -2.215787594e+00 -2.215787594e+00 -1.736041060e+00 -1.736041060e+00 -1.926499929e+00 -1.926499929e+00 -8.968525998e-01 -8.968525998e-01 2.02 -2.273817239e+00 -2.273817239e+00 -1.802123866e+00 -1.802123866e+00 -1.892851122e+00 -1.892851122e+00 -1.113254078e+00 -1.113254078e+00 2.04 -2.334883136e+00 -2.334883136e+00 -1.869095605e+00 -1.869095605e+00 -1.864424414e+00 -1.864424414e+00 -1.325932865e+00 -1.325932865e+00 2.06 -2.395638762e+00 -2.395638762e+00 -1.941136171e+00 -1.941136171e+00 -1.843285097e+00 -1.843285097e+00 -1.526616092e+00 -1.526616092e+00 2.08 -2.453574553e+00 -2.453574553e+00 -2.022148432e+00 -2.022148432e+00 -1.831190883e+00 -1.831190883e+00 -1.710759828e+00 -1.710759828e+00 2.10 -2.506252187e+00 -2.506252187e+00 -2.114314166e+00 -2.114314166e+00 -1.829046151e+00 -1.829046151e+00 -1.878129910e+00 -1.878129910e+00 2.12 -2.551588247e+00 -2.551588247e+00 -2.216566441e+00 -2.216566441e+00 -1.836177934e+00 -1.836177934e+00 -2.028230265e+00 -2.028230265e+00 2.14 -2.589968980e+00 -2.589968980e+00 -2.326178595e+00 -2.326178595e+00 -1.850561597e+00 -1.850561597e+00 -2.160821575e+00 -2.160821575e+00 2.16 -2.623325453e+00 -2.623325453e+00 -2.439767703e+00 -2.439767703e+00 -1.869539788e+00 -1.869539788e+00 -2.278368881e+00 -2.278368881e+00 2.18 -2.653624993e+00 -2.653624993e+00 -2.553949350e+00 -2.553949350e+00 -1.890442154e+00 -1.890442154e+00 -2.384078984e+00 -2.384078984e+00 2.20 -2.681432515e+00 -2.681432515e+00 -2.665376811e+00 -2.665376811e+00 -1.910589954e+00 -1.910589954e+00 -2.481480595e+00 -2.481480595e+00 2.22 -2.706534915e+00 -2.706534915e+00 -2.770716687e+00 -2.770716687e+00 -1.927299239e+00 -1.927299239e+00 -2.574254533e+00 -2.574254533e+00 2.24 -2.728708873e+00 -2.728708873e+00 -2.867205020e+00 -2.867205020e+00 -1.938461829e+00 -1.938461829e+00 -2.666126000e+00 -2.666126000e+00 2.26 -2.747727996e+00 -2.747727996e+00 -2.954383333e+00 -2.954383333e+00 -1.944249603e+00 -1.944249603e+00 -2.758806461e+00 -2.758806461e+00 2.28 -2.763361596e+00 -2.763361596e+00 -3.032630346e+00 -3.032630346e+00 -1.945682184e+00 -1.945682184e+00 -2.850701746e+00 -2.850701746e+00 2.30 -2.775364124e+00 -2.775364124e+00 -3.102655780e+00 -3.102655780e+00 -1.944305692e+00 -1.944305692e+00 -2.939546417e+00 -2.939546417e+00 2.32 -2.783371394e+00 -2.783371394e+00 -3.165372685e+00 -3.165372685e+00 -1.941883137e+00 -1.941883137e+00 -3.023055522e+00 -3.023055522e+00 2.34 -2.787426353e+00 -2.787426353e+00 -3.221743178e+00 -3.221743178e+00 -1.940191909e+00 -1.940191909e+00 -3.098938928e+00 -3.098938928e+00 2.36 -2.788018463e+00 -2.788018463e+00 -3.272537105e+00 -3.272537105e+00 -1.940295919e+00 -1.940295919e+00 -3.165884039e+00 -3.165884039e+00 2.38 -2.785605256e+00 -2.785605256e+00 -3.317271049e+00 -3.317271049e+00 -1.941462053e+00 -1.941462053e+00 -3.223738083e+00 -3.223738083e+00 2.40 -2.780615145e+00 -2.780615145e+00 -3.355286587e+00 -3.355286587e+00 -1.942722783e+00 -1.942722783e+00 -3.272432554e+00 -3.272432554e+00 2.42 -2.773467915e+00 -2.773467915e+00 -3.385912739e+00 -3.385912739e+00 -1.943100042e+00 -1.943100042e+00 -3.311987294e+00 -3.311987294e+00 2.44 -2.764543039e+00 -2.764543039e+00 -3.408434530e+00 -3.408434530e+00 -1.941605163e+00 -1.941605163e+00 -3.342581977e+00 -3.342581977e+00 2.46 -2.753629806e+00 -2.753629806e+00 -3.422101903e+00 -3.422101903e+00 -1.937274874e+00 -1.937274874e+00 -3.364635553e+00 -3.364635553e+00 2.48 -2.739876471e+00 -2.739876471e+00 -3.426808733e+00 -3.426808733e+00 -1.929820981e+00 -1.929820981e+00 -3.378582502e+00 -3.378582502e+00 2.50 -2.722423314e+00 -2.722423314e+00 -3.423088250e+00 -3.423088250e+00 -1.919587657e+00 -1.919587657e+00 -3.385172584e+00 -3.385172584e+00 2.52 -2.700552519e+00 -2.700552519e+00 -3.411691886e+00 -3.411691886e+00 -1.906937662e+00 -1.906937662e+00 -3.385527304e+00 -3.385527304e+00 2.54 -2.673598481e+00 -2.673598481e+00 -3.393560041e+00 -3.393560041e+00 -1.892227337e+00 -1.892227337e+00 -3.380613869e+00 -3.380613869e+00 2.56 -2.640895630e+00 -2.640895630e+00 -3.369639541e+00 -3.369639541e+00 -1.875806069e+00 -1.875806069e+00 -3.371303625e+00 -3.371303625e+00 2.58 -2.601993045e+00 -2.601993045e+00 -3.340873654e+00 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-3.075193175e+00 -1.714763140e+00 -1.714763140e+00 -3.204183566e+00 -3.204183566e+00 2.74 -2.236558224e+00 -2.236558224e+00 -3.032890919e+00 -3.032890919e+00 -1.692526046e+00 -1.692526046e+00 -3.171734974e+00 -3.171734974e+00 2.76 -2.200268231e+00 -2.200268231e+00 -2.988939992e+00 -2.988939992e+00 -1.669560557e+00 -1.669560557e+00 -3.135861700e+00 -3.135861700e+00 2.78 -2.165117209e+00 -2.165117209e+00 -2.943011456e+00 -2.943011456e+00 -1.645729164e+00 -1.645729164e+00 -3.096551721e+00 -3.096551721e+00 2.80 -2.130137387e+00 -2.130137387e+00 -2.894777346e+00 -2.894777346e+00 -1.620894505e+00 -1.620894505e+00 -3.053892571e+00 -3.053892571e+00 2.82 -2.094355155e+00 -2.094355155e+00 -2.843912005e+00 -2.843912005e+00 -1.594919357e+00 -1.594919357e+00 -3.008047127e+00 -3.008047127e+00 2.84 -2.056819472e+00 -2.056819472e+00 -2.790233838e+00 -2.790233838e+00 -1.567666642e+00 -1.567666642e+00 -2.958975419e+00 -2.958975419e+00 2.86 -2.017046781e+00 -2.017046781e+00 -2.733824523e+00 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