# 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 = FeMg2Pt # 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 3.413754077e+02 3.413754077e+02 1.30 3.155565302e+02 3.155565302e+02 1.32 2.916836809e+02 2.916836809e+02 1.34 2.696068154e+02 2.696068154e+02 1.36 2.491885439e+02 2.491885439e+02 1.38 2.302990680e+02 2.302990680e+02 1.40 2.128131256e+02 2.128131256e+02 1.42 1.966108431e+02 1.966108431e+02 1.44 1.815811274e+02 1.815811274e+02 1.46 1.676251234e+02 1.676251234e+02 1.48 1.546575899e+02 1.546575899e+02 1.50 1.426053392e+02 1.426053392e+02 1.52 1.314037167e+02 1.314037167e+02 1.54 1.209930777e+02 1.209930777e+02 1.56 1.113167577e+02 1.113167577e+02 1.58 1.023205778e+02 1.023205778e+02 1.60 9.395312836e+01 9.395312836e+01 1.62 8.616628889e+01 8.616628889e+01 1.64 7.896033156e+01 7.896033156e+01 1.66 7.232593208e+01 7.232593208e+01 1.68 6.621751235e+01 6.621751235e+01 1.70 6.059487797e+01 6.059487797e+01 1.72 5.542176973e+01 5.542176973e+01 1.74 5.066458889e+01 5.066458889e+01 1.76 4.629141783e+01 4.629141783e+01 1.78 4.227168912e+01 4.227168912e+01 1.80 3.857644155e+01 3.857644155e+01 1.82 3.517873757e+01 3.517873757e+01 1.84 3.205386290e+01 3.205386290e+01 1.86 2.917921896e+01 2.917921896e+01 1.88 2.653403951e+01 2.653403951e+01 1.90 2.409912856e+01 2.409912856e+01 1.92 2.185673514e+01 2.185673514e+01 1.94 1.979055876e+01 1.979055876e+01 1.96 1.788581524e+01 1.788581524e+01 1.98 1.612926321e+01 1.612926321e+01 2.00 1.450913030e+01 1.450913030e+01 2.02 1.301493538e+01 1.301493538e+01 2.04 1.163726174e+01 1.163726174e+01 2.06 1.036754400e+01 1.036754400e+01 2.08 9.197901055e+00 9.197901055e+00 2.10 8.121020153e+00 8.121020153e+00 2.12 7.130079844e+00 7.130079844e+00 2.14 6.218706744e+00 6.218706744e+00 2.16 5.380958242e+00 5.380958242e+00 2.18 4.611316715e+00 4.611316715e+00 2.20 3.904685010e+00 3.904685010e+00 2.22 3.256371620e+00 3.256371620e+00 2.24 2.662070760e+00 2.662070760e+00 2.26 2.117840211e+00 2.117840211e+00 2.28 1.620076415e+00 1.620076415e+00 2.30 1.164790834e+00 1.164790834e+00 2.32 7.479917948e-01 7.479917948e-01 2.34 3.673918659e-01 3.673918659e-01 2.36 2.084392108e-02 2.084392108e-02 2.38 -2.937133890e-01 -2.937133890e-01 2.40 -5.782759541e-01 -5.782759541e-01 2.42 -8.347909903e-01 -8.347909903e-01 2.44 -1.065167362e+00 -1.065167362e+00 2.46 -1.271283684e+00 -1.271283684e+00 2.48 -1.454993258e+00 -1.454993258e+00 2.50 -1.618126045e+00 -1.618126045e+00 2.52 -1.762482442e+00 -1.762482442e+00 2.54 -1.889812126e+00 -1.889812126e+00 2.56 -2.001775898e+00 -2.001775898e+00 2.58 -2.099898128e+00 -2.099898128e+00 2.60 -2.185525035e+00 -2.185525035e+00 2.62 -2.259805957e+00 -2.259805957e+00 2.64 -2.323692909e+00 -2.323692909e+00 2.66 -2.377966282e+00 -2.377966282e+00 2.68 -2.423277969e+00 -2.423277969e+00 2.70 -2.460188751e+00 -2.460188751e+00 2.72 -2.489200132e+00 -2.489200132e+00 2.74 -2.510777783e+00 -2.510777783e+00 2.76 -2.525367269e+00 -2.525367269e+00 2.78 -2.533403700e+00 -2.533403700e+00 2.80 -2.535285261e+00 -2.535285261e+00 2.82 -2.531347239e+00 -2.531347239e+00 2.84 -2.521942294e+00 -2.521942294e+00 2.86 -2.507452643e+00 -2.507452643e+00 2.88 -2.488292650e+00 -2.488292650e+00 2.90 -2.464911679e+00 -2.464911679e+00 2.92 -2.437795465e+00 -2.437795465e+00 2.94 -2.407463393e+00 -2.407463393e+00 2.96 -2.374459012e+00 -2.374459012e+00 2.98 -2.339403643e+00 -2.339403643e+00 3.00 -2.303054064e+00 -2.303054064e+00 3.02 -2.266058899e+00 -2.266058899e+00 3.04 -2.228907210e+00 -2.228907210e+00 3.06 -2.191931674e+00 -2.191931674e+00 3.08 -2.155323583e+00 -2.155323583e+00 3.10 -2.119161948e+00 -2.119161948e+00 3.12 -2.083445673e+00 -2.083445673e+00 3.14 -2.048127478e+00 -2.048127478e+00 3.16 -2.013138262e+00 -2.013138262e+00 3.18 -1.978409514e+00 -1.978409514e+00 3.20 -1.943895004e+00 -1.943895004e+00 3.22 -1.909595878e+00 -1.909595878e+00 3.24 -1.875465366e+00 -1.875465366e+00 3.26 -1.841478257e+00 -1.841478257e+00 3.28 -1.807639091e+00 -1.807639091e+00 3.30 -1.773976837e+00 -1.773976837e+00 3.32 -1.740538319e+00 -1.740538319e+00 3.34 -1.707381100e+00 -1.707381100e+00 3.36 -1.674554018e+00 -1.674554018e+00 3.38 -1.642048643e+00 -1.642048643e+00 3.40 -1.609852075e+00 -1.609852075e+00 3.42 -1.577964765e+00 -1.577964765e+00 3.44 -1.546394631e+00 -1.546394631e+00 3.46 -1.515153505e+00 -1.515153505e+00 3.48 -1.484254299e+00 -1.484254299e+00 3.50 -1.453709193e+00 -1.453709193e+00 3.52 -1.423528520e+00 -1.423528520e+00 3.54 -1.393720179e+00 -1.393720179e+00 3.56 -1.364289404e+00 -1.364289404e+00 3.58 -1.335238775e+00 -1.335238775e+00 3.60 -1.306568368e+00 -1.306568368e+00 3.62 -1.278275988e+00 -1.278275988e+00 3.64 -1.250357422e+00 -1.250357422e+00 3.66 -1.222806717e+00 -1.222806717e+00 3.68 -1.195616453e+00 -1.195616453e+00 3.70 -1.168778033e+00 -1.168778033e+00 3.72 -1.142281981e+00 -1.142281981e+00 3.74 -1.116118257e+00 -1.116118257e+00 3.76 -1.090276578e+00 -1.090276578e+00 3.78 -1.064746712e+00 -1.064746712e+00 3.80 -1.039518731e+00 -1.039518731e+00 3.82 -1.014583152e+00 -1.014583152e+00 3.84 -9.899309567e-01 -9.899309567e-01 3.86 -9.655534368e-01 -9.655534368e-01 3.88 -9.414419153e-01 -9.414419153e-01 3.90 -9.175873793e-01 -9.175873793e-01 3.92 -8.939799670e-01 -8.939799670e-01 3.94 -8.706094953e-01 -8.706094953e-01 3.96 -8.474643985e-01 -8.474643985e-01 3.98 -8.245329672e-01 -8.245329672e-01 4.00 -8.018039591e-01 -8.018039591e-01 4.02 -7.792677920e-01 -7.792677920e-01 4.04 -7.569180226e-01 -7.569180226e-01 4.06 -7.347529863e-01 -7.347529863e-01 4.08 -7.127774317e-01 -7.127774317e-01 4.10 -6.910035147e-01 -6.910035147e-01 4.12 -6.694536636e-01 -6.694536636e-01 4.14 -6.481580397e-01 -6.481580397e-01 4.16 -6.271561758e-01 -6.271561758e-01 4.18 -6.064950736e-01 -6.064950736e-01 4.20 -5.862269403e-01 -5.862269403e-01 4.22 -5.664061602e-01 -5.664061602e-01 4.24 -5.470857900e-01 -5.470857900e-01 4.26 -5.283139646e-01 -5.283139646e-01 4.28 -5.101306306e-01 -5.101306306e-01 4.30 -4.925649797e-01 -4.925649797e-01 4.32 -4.756338315e-01 -4.756338315e-01 4.34 -4.593410585e-01 -4.593410585e-01 4.36 -4.436779895e-01 -4.436779895e-01 4.38 -4.286246042e-01 -4.286246042e-01 4.40 -4.141512636e-01 -4.141512636e-01 4.42 -4.002207101e-01 -4.002207101e-01 4.44 -3.867901066e-01 -3.867901066e-01 4.46 -3.738129429e-01 -3.738129429e-01 4.48 -3.612407067e-01 -3.612407067e-01 4.50 -3.490242815e-01 -3.490242815e-01 4.52 -3.371150807e-01 -3.371150807e-01 4.54 -3.254659624e-01 -3.254659624e-01 4.56 -3.140319858e-01 -3.140319858e-01 4.58 -3.027710763e-01 -3.027710763e-01 4.60 -2.916446608e-01 -2.916446608e-01 4.62 -2.806183229e-01 -2.806183229e-01 4.64 -2.696625111e-01 -2.696625111e-01 4.66 -2.587533088e-01 -2.587533088e-01 4.68 -2.478732518e-01 -2.478732518e-01 4.70 -2.370121499e-01 -2.370121499e-01 4.72 -2.261678452e-01 -2.261678452e-01 4.74 -2.153468123e-01 -2.153468123e-01 4.76 -2.045644951e-01 -2.045644951e-01 4.78 -1.938452696e-01 -1.938452696e-01 4.80 -1.832215618e-01 -1.832215618e-01 4.82 -1.727343906e-01 -1.727343906e-01 4.84 -1.624293309e-01 -1.624293309e-01 4.86 -1.523562025e-01 -1.523562025e-01 4.88 -1.425662248e-01 -1.425662248e-01 4.90 -1.331094599e-01 -1.331094599e-01 4.92 -1.240323049e-01 -1.240323049e-01 4.94 -1.153752518e-01 -1.153752518e-01 4.96 -1.071711013e-01 -1.071711013e-01 4.98 -9.944376079e-02 -9.944376079e-02 5.00 -9.220768277e-02 -9.220768277e-02 5.02 -8.546792559e-02 -8.546792559e-02 5.04 -7.922075403e-02 -7.922075403e-02 5.06 -7.345465563e-02 -7.345465563e-02 5.08 -6.815162843e-02 -6.815162843e-02 5.10 -6.328859809e-02 -6.328859809e-02 5.12 -5.883885091e-02 -5.883885091e-02 5.14 -5.477334453e-02 -5.477334453e-02 5.16 -5.106189377e-02 -5.106189377e-02 5.18 -4.767417605e-02 -4.767417605e-02 5.20 -4.458052201e-02 -4.458052201e-02 5.22 -4.175251503e-02 -4.175251503e-02 5.24 -3.916306023e-02 -3.916306023e-02 5.26 -3.678648137e-02 -3.678648137e-02 5.28 -3.460079017e-02 -3.460079017e-02 5.30 -3.258600321e-02 -3.258600321e-02 5.32 -3.072408722e-02 -3.072408722e-02 5.34 -2.899897657e-02 -2.899897657e-02 5.36 -2.739652135e-02 -2.739652135e-02 5.38 -2.590438769e-02 -2.590438769e-02 5.40 -2.451192280e-02 -2.451192280e-02 5.42 -2.320999588e-02 -2.320999588e-02 5.44 -2.199082327e-02 -2.199082327e-02 5.46 -2.084778441e-02 -2.084778441e-02 5.48 -1.977523508e-02 -1.977523508e-02 5.50 -1.876832459e-02 -1.876832459e-02 5.52 -1.782282350e-02 -1.782282350e-02 5.54 -1.693496834e-02 -1.693496834e-02 5.56 -1.610132846e-02 -1.610132846e-02 5.58 -1.531869865e-02 -1.531869865e-02 5.60 -1.458401912e-02 -1.458401912e-02 5.62 -1.389432181e-02 -1.389432181e-02 5.64 -1.324670046e-02 -1.324670046e-02 5.66 -1.263829997e-02 -1.263829997e-02 5.68 -1.206632004e-02 -1.206632004e-02 5.70 -1.152802806e-02 -1.152802806e-02 5.72 -1.102077645e-02 -1.102077645e-02 5.74 -1.054202122e-02 -1.054202122e-02 5.76 -1.008936112e-02 -1.008936112e-02 5.78 -9.660513097e-03 -9.660513097e-03 5.80 -9.253319609e-03 -9.253319609e-03 5.82 -8.865769513e-03 -8.865769513e-03 5.84 -8.495998476e-03 -8.495998476e-03 5.86 -8.142286305e-03 -8.142286305e-03 5.88 -7.803052019e-03 -7.803052019e-03 5.90 -7.476847499e-03 -7.476847499e-03 5.92 -7.162350522e-03 -7.162350522e-03 5.94 -6.858357851e-03 -6.858357851e-03 5.96 -6.563778939e-03 -6.563778939e-03 5.98 -6.277630678e-03 -6.277630678e-03 6.00 -5.999033486e-03 -5.999033486e-03