# 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 = MoPt2W # 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 4.577059778e+02 4.577059778e+02 1.30 4.271274675e+02 4.271274675e+02 1.32 3.985547999e+02 3.985547999e+02 1.34 3.718348153e+02 3.718348153e+02 1.36 3.468502761e+02 3.468502761e+02 1.38 3.235090862e+02 3.235090862e+02 1.40 3.017306668e+02 3.017306668e+02 1.42 2.814334728e+02 2.814334728e+02 1.44 2.625261046e+02 2.625261046e+02 1.46 2.449061010e+02 2.449061010e+02 1.48 2.284670241e+02 2.284670241e+02 1.50 2.131073956e+02 2.131073956e+02 1.52 1.987351609e+02 1.987351609e+02 1.54 1.852674716e+02 1.852674716e+02 1.56 1.726289647e+02 1.726289647e+02 1.58 1.607504264e+02 1.607504264e+02 1.60 1.495678128e+02 1.495678128e+02 1.62 1.390214866e+02 1.390214866e+02 1.64 1.290561341e+02 1.290561341e+02 1.66 1.196217264e+02 1.196217264e+02 1.68 1.106751861e+02 1.106751861e+02 1.70 1.021819167e+02 1.021819167e+02 1.72 9.411633449e+01 9.411633449e+01 1.74 8.646092678e+01 8.646092678e+01 1.76 7.920414066e+01 7.920414066e+01 1.78 7.233808436e+01 7.233808436e+01 1.80 6.585678942e+01 6.585678942e+01 1.82 5.975495730e+01 5.975495730e+01 1.84 5.402713213e+01 5.402713213e+01 1.86 4.866631784e+01 4.866631784e+01 1.88 4.366402991e+01 4.366402991e+01 1.90 3.905329574e+01 3.905329574e+01 1.92 3.488874027e+01 3.488874027e+01 1.94 3.112640091e+01 3.112640091e+01 1.96 2.772151085e+01 2.772151085e+01 1.98 2.463257483e+01 2.463257483e+01 2.00 2.182276206e+01 2.182276206e+01 2.02 1.926041728e+01 1.926041728e+01 2.04 1.691879054e+01 1.691879054e+01 2.06 1.477532567e+01 1.477532567e+01 2.08 1.281082794e+01 1.281082794e+01 2.10 1.100870214e+01 1.100870214e+01 2.12 9.354342958e+00 9.354342958e+00 2.14 7.834704430e+00 7.834704430e+00 2.16 6.438045187e+00 6.438045187e+00 2.18 5.153813637e+00 5.153813637e+00 2.20 3.972607507e+00 3.972607507e+00 2.22 2.886138975e+00 2.886138975e+00 2.24 1.887163188e+00 1.887163188e+00 2.26 9.693639457e-01 9.693639457e-01 2.28 1.272137442e-01 1.272137442e-01 2.30 -6.441696245e-01 -6.441696245e-01 2.32 -1.349154003e+00 -1.349154003e+00 2.34 -1.991704692e+00 -1.991704692e+00 2.36 -2.575477881e+00 -2.575477881e+00 2.38 -3.103900203e+00 -3.103900203e+00 2.40 -3.580239796e+00 -3.580239796e+00 2.42 -4.007671904e+00 -4.007671904e+00 2.44 -4.389337614e+00 -4.389337614e+00 2.46 -4.728389920e+00 -4.728389920e+00 2.48 -5.028019062e+00 -5.028019062e+00 2.50 -5.291439435e+00 -5.291439435e+00 2.52 -5.521794973e+00 -5.521794973e+00 2.54 -5.722287678e+00 -5.722287678e+00 2.56 -5.895969388e+00 -5.895969388e+00 2.58 -6.045597916e+00 -6.045597916e+00 2.60 -6.173551618e+00 -6.173551618e+00 2.62 -6.281792358e+00 -6.281792358e+00 2.64 -6.371885463e+00 -6.371885463e+00 2.66 -6.445062557e+00 -6.445062557e+00 2.68 -6.502094143e+00 -6.502094143e+00 2.70 -6.543661446e+00 -6.543661446e+00 2.72 -6.572357437e+00 -6.572357437e+00 2.74 -6.589107837e+00 -6.589107837e+00 2.76 -6.593995751e+00 -6.593995751e+00 2.78 -6.587201001e+00 -6.587201001e+00 2.80 -6.568990029e+00 -6.568990029e+00 2.82 -6.539706328e+00 -6.539706328e+00 2.84 -6.499722188e+00 -6.499722188e+00 2.86 -6.449287033e+00 -6.449287033e+00 2.88 -6.388699679e+00 -6.388699679e+00 2.90 -6.318381861e+00 -6.318381861e+00 2.92 -6.238888528e+00 -6.238888528e+00 2.94 -6.150913285e+00 -6.150913285e+00 2.96 -6.055281909e+00 -6.055281909e+00 2.98 -5.952928550e+00 -5.952928550e+00 3.00 -5.844853406e+00 -5.844853406e+00 3.02 -5.732066227e+00 -5.732066227e+00 3.04 -5.615524735e+00 -5.615524735e+00 3.06 -5.496079013e+00 -5.496079013e+00 3.08 -5.374431063e+00 -5.374431063e+00 3.10 -5.251114432e+00 -5.251114432e+00 3.12 -5.126493663e+00 -5.126493663e+00 3.14 -5.000779744e+00 -5.000779744e+00 3.16 -4.874055985e+00 -4.874055985e+00 3.18 -4.746309169e+00 -4.746309169e+00 3.20 -4.617461884e+00 -4.617461884e+00 3.22 -4.487403588e+00 -4.487403588e+00 3.24 -4.356019167e+00 -4.356019167e+00 3.26 -4.223214578e+00 -4.223214578e+00 3.28 -4.088939513e+00 -4.088939513e+00 3.30 -3.953207002e+00 -3.953207002e+00 3.32 -3.816109627e+00 -3.816109627e+00 3.34 -3.677831722e+00 -3.677831722e+00 3.36 -3.538656648e+00 -3.538656648e+00 3.38 -3.398968165e+00 -3.398968165e+00 3.40 -3.259245414e+00 -3.259245414e+00 3.42 -3.120287820e+00 -3.120287820e+00 3.44 -2.983544260e+00 -2.983544260e+00 3.46 -2.850412778e+00 -2.850412778e+00 3.48 -2.722070417e+00 -2.722070417e+00 3.50 -2.599442469e+00 -2.599442469e+00 3.52 -2.483188135e+00 -2.483188135e+00 3.54 -2.373704024e+00 -2.373704024e+00 3.56 -2.271144118e+00 -2.271144118e+00 3.58 -2.175452588e+00 -2.175452588e+00 3.60 -2.086404586e+00 -2.086404586e+00 3.62 -2.003649925e+00 -2.003649925e+00 3.64 -1.926755194e+00 -1.926755194e+00 3.66 -1.855241066e+00 -1.855241066e+00 3.68 -1.788612927e+00 -1.788612927e+00 3.70 -1.726384176e+00 -1.726384176e+00 3.72 -1.668092517e+00 -1.668092517e+00 3.74 -1.613310150e+00 -1.613310150e+00 3.76 -1.561649062e+00 -1.561649062e+00 3.78 -1.512762640e+00 -1.512762640e+00 3.80 -1.466344739e+00 -1.466344739e+00 3.82 -1.422127149e+00 -1.422127149e+00 3.84 -1.379876176e+00 -1.379876176e+00 3.86 -1.339388879e+00 -1.339388879e+00 3.88 -1.300489328e+00 -1.300489328e+00 3.90 -1.263025116e+00 -1.263025116e+00 3.92 -1.226864258e+00 -1.226864258e+00 3.94 -1.191892550e+00 -1.191892550e+00 3.96 -1.158011385e+00 -1.158011385e+00 3.98 -1.125136009e+00 -1.125136009e+00 4.00 -1.093194176e+00 -1.093194176e+00 4.02 -1.062125111e+00 -1.062125111e+00 4.04 -1.031878691e+00 -1.031878691e+00 4.06 -1.002414747e+00 -1.002414747e+00 4.08 -9.737023425e-01 -9.737023425e-01 4.10 -9.457189204e-01 -9.457189204e-01 4.12 -9.184492414e-01 -9.184492414e-01 4.14 -8.918839324e-01 -8.918839324e-01 4.16 -8.660177958e-01 -8.660177958e-01 4.18 -8.408478106e-01 -8.408478106e-01 4.20 -8.163710095e-01 -8.163710095e-01 4.22 -7.925824086e-01 -7.925824086e-01 4.24 -7.694731924e-01 -7.694731924e-01 4.26 -7.470293300e-01 -7.470293300e-01 4.28 -7.252307370e-01 -7.252307370e-01 4.30 -7.040510058e-01 -7.040510058e-01 4.32 -6.834576455e-01 -6.834576455e-01 4.34 -6.634127082e-01 -6.634127082e-01 4.36 -6.438736508e-01 -6.438736508e-01 4.38 -6.247942862e-01 -6.247942862e-01 4.40 -6.061257102e-01 -6.061257102e-01 4.42 -5.878171307e-01 -5.878171307e-01 4.44 -5.698165695e-01 -5.698165695e-01 4.46 -5.520714515e-01 -5.520714515e-01 4.48 -5.345291453e-01 -5.345291453e-01 4.50 -5.171374069e-01 -5.171374069e-01 4.52 -4.998449651e-01 -4.998449651e-01 4.54 -4.826036320e-01 -4.826036320e-01 4.56 -4.653649780e-01 -4.653649780e-01 4.58 -4.480834894e-01 -4.480834894e-01 4.60 -4.307187105e-01 -4.307187105e-01 4.62 -4.132362994e-01 -4.132362994e-01 4.64 -3.956094623e-01 -3.956094623e-01 4.66 -3.778206603e-01 -3.778206603e-01 4.68 -3.598634668e-01 -3.598634668e-01 4.70 -3.417444245e-01 -3.417444245e-01 4.72 -3.234847189e-01 -3.234847189e-01 4.74 -3.051214532e-01 -3.051214532e-01 4.76 -2.867082994e-01 -2.867082994e-01 4.78 -2.683153052e-01 -2.683153052e-01 4.80 -2.500276866e-01 -2.500276866e-01 4.82 -2.319435191e-01 -2.319435191e-01 4.84 -2.141703416e-01 -2.141703416e-01 4.86 -1.968208488e-01 -1.968208488e-01 4.88 -1.800079532e-01 -1.800079532e-01 4.90 -1.638396162e-01 -1.638396162e-01 4.92 -1.484138992e-01 -1.484138992e-01 4.94 -1.338146690e-01 -1.338146690e-01 4.96 -1.201083167e-01 -1.201083167e-01 4.98 -1.073417215e-01 -1.073417215e-01 5.00 -9.554153501e-02 -9.554153501e-02 5.02 -8.471471296e-02 -8.471471296e-02 5.04 -7.485010013e-02 -7.485010013e-02 5.06 -6.592079519e-02 -6.592079519e-02 5.08 -5.788699404e-02 -5.788699404e-02 5.10 -5.069902243e-02 -5.069902243e-02 5.12 -4.430031375e-02 -4.430031375e-02 5.14 -3.863015587e-02 -3.863015587e-02 5.16 -3.362606697e-02 -3.362606697e-02 5.18 -2.922575916e-02 -2.922575916e-02 5.20 -2.536866948e-02 -2.536866948e-02 5.22 -2.199710525e-02 -2.199710525e-02 5.24 -1.905701393e-02 -1.905701393e-02 5.26 -1.649832671e-02 -1.649832671e-02 5.28 -1.427503991e-02 -1.427503991e-02 5.30 -1.234622111e-02 -1.234622111e-02 5.32 -1.067506935e-02 -1.067506935e-02 5.34 -9.228689782e-03 -9.228689782e-03 5.36 -7.977887088e-03 -7.977887088e-03 5.38 -6.896899954e-03 -6.896899954e-03 5.40 -5.963106019e-03 -5.963106019e-03 5.42 -5.156717953e-03 -5.156717953e-03 5.44 -4.460484683e-03 -4.460484683e-03 5.46 -3.859406799e-03 -3.859406799e-03 5.48 -3.340471511e-03 -3.340471511e-03 5.50 -2.892409936e-03 -2.892409936e-03 5.52 -2.505477702e-03 -2.505477702e-03 5.54 -2.171258609e-03 -2.171258609e-03 5.56 -1.882490341e-03 -1.882490341e-03 5.58 -1.632910756e-03 -1.632910756e-03 5.60 -1.417123029e-03 -1.417123029e-03 5.62 -1.230477842e-03 -1.230477842e-03 5.64 -1.068970832e-03 -1.068970832e-03 5.66 -9.291535698e-04 -9.291535698e-04 5.68 -8.080564712e-04 -8.080564712e-04 5.70 -7.031221623e-04 -7.031221623e-04 5.72 -6.121479788e-04 -6.121479788e-04 5.74 -5.332364020e-04 -5.332364020e-04 5.76 -4.647523816e-04 -4.647523816e-04 5.78 -4.052866163e-04 -4.052866163e-04 5.80 -3.536239781e-04 -3.536239781e-04 5.82 -3.087163726e-04 -3.087163726e-04 5.84 -2.696594169e-04 -2.696594169e-04 5.86 -2.356724037e-04 -2.356724037e-04 5.88 -2.060810872e-04 -2.060810872e-04 5.90 -1.803028959e-04 -1.803028959e-04 5.92 -1.578342258e-04 -1.578342258e-04 5.94 -1.382395225e-04 -1.382395225e-04 5.96 -1.211418961e-04 -1.211418961e-04 5.98 -1.062150529e-04 -1.062150529e-04 6.00 -9.317635642e-05 -9.317635642e-05