# 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 = FeMg2Zr # 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 3.841680412e+02 3.841680412e+02 1.30 3.554207567e+02 3.554207567e+02 1.32 3.288654264e+02 3.288654264e+02 1.34 3.043214278e+02 3.043214278e+02 1.36 2.816251825e+02 2.816251825e+02 1.38 2.606292638e+02 2.606292638e+02 1.40 2.412007659e+02 2.412007659e+02 1.42 2.232187328e+02 2.232187328e+02 1.44 2.065718421e+02 2.065718421e+02 1.46 1.911573750e+02 1.911573750e+02 1.48 1.768810450e+02 1.768810450e+02 1.50 1.636565038e+02 1.636565038e+02 1.52 1.514043019e+02 1.514043019e+02 1.54 1.400508697e+02 1.400508697e+02 1.56 1.295280767e+02 1.295280767e+02 1.58 1.197732758e+02 1.197732758e+02 1.60 1.107291997e+02 1.107291997e+02 1.62 1.023433996e+02 1.023433996e+02 1.64 9.456745772e+01 9.456745772e+01 1.66 8.735634138e+01 8.735634138e+01 1.68 8.066804413e+01 8.066804413e+01 1.70 7.446359668e+01 7.446359668e+01 1.72 6.870753484e+01 6.870753484e+01 1.74 6.336683621e+01 6.336683621e+01 1.76 5.841096574e+01 5.841096574e+01 1.78 5.381182572e+01 5.381182572e+01 1.80 4.954328743e+01 4.954328743e+01 1.82 4.558136774e+01 4.558136774e+01 1.84 4.190382607e+01 4.190382607e+01 1.86 3.848992711e+01 3.848992711e+01 1.88 3.532046711e+01 3.532046711e+01 1.90 3.237783727e+01 3.237783727e+01 1.92 2.964596304e+01 2.964596304e+01 1.94 2.711012628e+01 2.711012628e+01 1.96 2.475669841e+01 2.475669841e+01 1.98 2.257295838e+01 2.257295838e+01 2.00 2.054699430e+01 2.054699430e+01 2.02 1.866765505e+01 1.866765505e+01 2.04 1.692452277e+01 1.692452277e+01 2.06 1.530788164e+01 1.530788164e+01 2.08 1.380867083e+01 1.380867083e+01 2.10 1.241844419e+01 1.241844419e+01 2.12 1.112934856e+01 1.112934856e+01 2.14 9.934112192e+00 9.934112192e+00 2.16 8.826050351e+00 8.826050351e+00 2.18 7.799038103e+00 7.799038103e+00 2.20 6.847458975e+00 6.847458975e+00 2.22 5.966119222e+00 5.966119222e+00 2.24 5.150181268e+00 5.150181268e+00 2.26 4.395130176e+00 4.395130176e+00 2.28 3.696756396e+00 3.696756396e+00 2.30 3.051184003e+00 3.051184003e+00 2.32 2.454837357e+00 2.454837357e+00 2.34 1.904455585e+00 1.904455585e+00 2.36 1.397039980e+00 1.397039980e+00 2.38 9.298224449e-01 9.298224449e-01 2.40 5.001948779e-01 5.001948779e-01 2.42 1.056967145e-01 1.056967145e-01 2.44 -2.558787234e-01 -2.558787234e-01 2.46 -5.866563657e-01 -5.866563657e-01 2.48 -8.886904286e-01 -8.886904286e-01 2.50 -1.163959908e+00 -1.163959908e+00 2.52 -1.414357899e+00 -1.414357899e+00 2.54 -1.641668606e+00 -1.641668606e+00 2.56 -1.847421241e+00 -1.847421241e+00 2.58 -2.032955639e+00 -2.032955639e+00 2.60 -2.199545970e+00 -2.199545970e+00 2.62 -2.348399630e+00 -2.348399630e+00 2.64 -2.480672487e+00 -2.480672487e+00 2.66 -2.597455821e+00 -2.597455821e+00 2.68 -2.699795275e+00 -2.699795275e+00 2.70 -2.788691324e+00 -2.788691324e+00 2.72 -2.865102583e+00 -2.865102583e+00 2.74 -2.929948223e+00 -2.929948223e+00 2.76 -2.984109331e+00 -2.984109331e+00 2.78 -3.028426641e+00 -3.028426641e+00 2.80 -3.063714060e+00 -3.063714060e+00 2.82 -3.090734570e+00 -3.090734570e+00 2.84 -3.110213822e+00 -3.110213822e+00 2.86 -3.122840955e+00 -3.122840955e+00 2.88 -3.129268015e+00 -3.129268015e+00 2.90 -3.130108418e+00 -3.130108418e+00 2.92 -3.125934569e+00 -3.125934569e+00 2.94 -3.117275202e+00 -3.117275202e+00 2.96 -3.104612828e+00 -3.104612828e+00 2.98 -3.088340932e+00 -3.088340932e+00 3.00 -3.068742905e+00 -3.068742905e+00 3.02 -3.046072018e+00 -3.046072018e+00 3.04 -3.020558547e+00 -3.020558547e+00 3.06 -2.992420734e+00 -2.992420734e+00 3.08 -2.961853709e+00 -2.961853709e+00 3.10 -2.929043790e+00 -2.929043790e+00 3.12 -2.894167754e+00 -2.894167754e+00 3.14 -2.857406982e+00 -2.857406982e+00 3.16 -2.818935273e+00 -2.818935273e+00 3.18 -2.778932989e+00 -2.778932989e+00 3.20 -2.737585780e+00 -2.737585780e+00 3.22 -2.695085620e+00 -2.695085620e+00 3.24 -2.651631135e+00 -2.651631135e+00 3.26 -2.607427073e+00 -2.607427073e+00 3.28 -2.562682375e+00 -2.562682375e+00 3.30 -2.517606234e+00 -2.517606234e+00 3.32 -2.472401935e+00 -2.472401935e+00 3.34 -2.427259102e+00 -2.427259102e+00 3.36 -2.382345789e+00 -2.382345789e+00 3.38 -2.337802192e+00 -2.337802192e+00 3.40 -2.293736119e+00 -2.293736119e+00 3.42 -2.250251234e+00 -2.250251234e+00 3.44 -2.207405552e+00 -2.207405552e+00 3.46 -2.165190206e+00 -2.165190206e+00 3.48 -2.123589537e+00 -2.123589537e+00 3.50 -2.082584295e+00 -2.082584295e+00 3.52 -2.042153885e+00 -2.042153885e+00 3.54 -2.002277929e+00 -2.002277929e+00 3.56 -1.962937176e+00 -1.962937176e+00 3.58 -1.924113633e+00 -1.924113633e+00 3.60 -1.885776054e+00 -1.885776054e+00 3.62 -1.847866397e+00 -1.847866397e+00 3.64 -1.810334965e+00 -1.810334965e+00 3.66 -1.773142758e+00 -1.773142758e+00 3.68 -1.736259844e+00 -1.736259844e+00 3.70 -1.699664405e+00 -1.699664405e+00 3.72 -1.663342391e+00 -1.663342391e+00 3.74 -1.627287699e+00 -1.627287699e+00 3.76 -1.591502706e+00 -1.591502706e+00 3.78 -1.555998974e+00 -1.555998974e+00 3.80 -1.520797824e+00 -1.520797824e+00 3.82 -1.485930430e+00 -1.485930430e+00 3.84 -1.451437116e+00 -1.451437116e+00 3.86 -1.417365594e+00 -1.417365594e+00 3.88 -1.383768101e+00 -1.383768101e+00 3.90 -1.350697679e+00 -1.350697679e+00 3.92 -1.318202332e+00 -1.318202332e+00 3.94 -1.286328499e+00 -1.286328499e+00 3.96 -1.255106623e+00 -1.255106623e+00 3.98 -1.224557711e+00 -1.224557711e+00 4.00 -1.194691045e+00 -1.194691045e+00 4.02 -1.165505327e+00 -1.165505327e+00 4.04 -1.136990678e+00 -1.136990678e+00 4.06 -1.109131033e+00 -1.109131033e+00 4.08 -1.081906508e+00 -1.081906508e+00 4.10 -1.055291333e+00 -1.055291333e+00 4.12 -1.029272742e+00 -1.029272742e+00 4.14 -1.003824872e+00 -1.003824872e+00 4.16 -9.789285843e-01 -9.789285843e-01 4.18 -9.545667154e-01 -9.545667154e-01 4.20 -9.307241519e-01 -9.307241519e-01 4.22 -9.073877263e-01 -9.073877263e-01 4.24 -8.845460145e-01 -8.845460145e-01 4.26 -8.621890818e-01 -8.621890818e-01 4.28 -8.403082173e-01 -8.403082173e-01 4.30 -8.188956767e-01 -8.188956767e-01 4.32 -7.979444488e-01 -7.979444488e-01 4.34 -7.774480511e-01 -7.774480511e-01 4.36 -7.574003558e-01 -7.574003558e-01 4.38 -7.377954457e-01 -7.377954457e-01 4.40 -7.186274964e-01 -7.186274964e-01 4.42 -6.998906826e-01 -6.998906826e-01 4.44 -6.815791037e-01 -6.815791037e-01 4.46 -6.636867270e-01 -6.636867270e-01 4.48 -6.462073454e-01 -6.462073454e-01 4.50 -6.291345476e-01 -6.291345476e-01 4.52 -6.124616992e-01 -6.124616992e-01 4.54 -5.961819346e-01 -5.961819346e-01 4.56 -5.802881590e-01 -5.802881590e-01 4.58 -5.647730595e-01 -5.647730595e-01 4.60 -5.496291263e-01 -5.496291263e-01 4.62 -5.348486825e-01 -5.348486825e-01 4.64 -5.204239230e-01 -5.204239230e-01 4.66 -5.063469599e-01 -5.063469599e-01 4.68 -4.926098735e-01 -4.926098735e-01 4.70 -4.792047660e-01 -4.792047660e-01 4.72 -4.661238148e-01 -4.661238148e-01 4.74 -4.533593224e-01 -4.533593224e-01 4.76 -4.409037586e-01 -4.409037586e-01 4.78 -4.287497939e-01 -4.287497939e-01 4.80 -4.168868444e-01 -4.168868444e-01 4.82 -4.053155703e-01 -4.053155703e-01 4.84 -3.940251412e-01 -3.940251412e-01 4.86 -3.830091164e-01 -3.830091164e-01 4.88 -3.722612224e-01 -3.722612224e-01 4.90 -3.617753161e-01 -3.617753161e-01 4.92 -3.515453415e-01 -3.515453415e-01 4.94 -3.415652853e-01 -3.415652853e-01 4.96 -3.318291330e-01 -3.318291330e-01 4.98 -3.223308295e-01 -3.223308295e-01 5.00 -3.130642445e-01 -3.130642445e-01 5.02 -3.040231462e-01 -3.040231462e-01 5.04 -2.952011834e-01 -2.952011834e-01 5.06 -2.865918768e-01 -2.865918768e-01 5.08 -2.781886218e-01 -2.781886218e-01 5.10 -2.699847021e-01 -2.699847021e-01 5.12 -2.619733152e-01 -2.619733152e-01 5.14 -2.541476128e-01 -2.541476128e-01 5.16 -2.465007541e-01 -2.465007541e-01 5.18 -2.390259766e-01 -2.390259766e-01 5.20 -2.317166829e-01 -2.317166829e-01 5.22 -2.245665457e-01 -2.245665457e-01 5.24 -2.175696292e-01 -2.175696292e-01 5.26 -2.107205263e-01 -2.107205263e-01 5.28 -2.040145075e-01 -2.040145075e-01 5.30 -1.974476734e-01 -1.974476734e-01 5.32 -1.910171044e-01 -1.910171044e-01 5.34 -1.847209921e-01 -1.847209921e-01 5.36 -1.785587398e-01 -1.785587398e-01 5.38 -1.725310143e-01 -1.725310143e-01 5.40 -1.666397335e-01 -1.666397335e-01 5.42 -1.608879771e-01 -1.608879771e-01 5.44 -1.552798117e-01 -1.552798117e-01 5.46 -1.498200325e-01 -1.498200325e-01 5.48 -1.445138319e-01 -1.445138319e-01 5.50 -1.393664162e-01 -1.393664162e-01 5.52 -1.343825996e-01 -1.343825996e-01 5.54 -1.295664112e-01 -1.295664112e-01 5.56 -1.249207496e-01 -1.249207496e-01 5.58 -1.204471136e-01 -1.204471136e-01 5.60 -1.161454308e-01 -1.161454308e-01 5.62 -1.120139919e-01 -1.120139919e-01 5.64 -1.080494863e-01 -1.080494863e-01 5.66 -1.042471256e-01 -1.042471256e-01 5.68 -1.006008319e-01 -1.006008319e-01 5.70 -9.710346928e-02 -9.710346928e-02 5.72 -9.374709241e-02 -9.374709241e-02 5.74 -9.052319126e-02 -9.052319126e-02 5.76 -8.742290044e-02 -8.742290044e-02 5.78 -8.443722436e-02 -8.443722436e-02 5.80 -8.155720144e-02 -8.155720144e-02 5.82 -7.877401978e-02 -7.877401978e-02 5.84 -7.607911277e-02 -7.607911277e-02 5.86 -7.346417950e-02 -7.346417950e-02 5.88 -7.092128808e-02 -7.092128808e-02 5.90 -6.844296143e-02 -6.844296143e-02 5.92 -6.602211986e-02 -6.602211986e-02 5.94 -6.365209721e-02 -6.365209721e-02 5.96 -6.132665642e-02 -6.132665642e-02 5.98 -5.904000846e-02 -5.904000846e-02 6.00 -5.678683785e-02 -5.678683785e-02