# 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 = MoPb2Pt # 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 4.458565733e+02 4.458565733e+02 1.30 4.169153221e+02 4.169153221e+02 1.32 3.898727887e+02 3.898727887e+02 1.34 3.646124646e+02 3.646124646e+02 1.36 3.410331172e+02 3.410331172e+02 1.38 3.190362039e+02 3.190362039e+02 1.40 2.985186315e+02 2.985186315e+02 1.42 2.793730336e+02 2.793730336e+02 1.44 2.614924533e+02 2.614924533e+02 1.46 2.447751372e+02 2.447751372e+02 1.48 2.291274107e+02 2.291274107e+02 1.50 2.144645846e+02 2.144645846e+02 1.52 2.007102327e+02 2.007102327e+02 1.54 1.877947098e+02 1.877947098e+02 1.56 1.756541315e+02 1.756541315e+02 1.58 1.642302200e+02 1.642302200e+02 1.60 1.534705021e+02 1.534705021e+02 1.62 1.433282200e+02 1.433282200e+02 1.64 1.337617940e+02 1.337617940e+02 1.66 1.247341702e+02 1.247341702e+02 1.68 1.162125508e+02 1.162125508e+02 1.70 1.081685161e+02 1.081685161e+02 1.72 1.005780124e+02 1.005780124e+02 1.74 9.342051744e+01 9.342051744e+01 1.76 8.667745734e+01 8.667745734e+01 1.78 8.033241691e+01 8.033241691e+01 1.80 7.441024424e+01 7.441024424e+01 1.82 6.891779363e+01 6.891779363e+01 1.84 6.382516455e+01 6.382516455e+01 1.86 5.910168287e+01 5.910168287e+01 1.88 5.471825867e+01 5.471825867e+01 1.90 5.064776403e+01 5.064776403e+01 1.92 4.686532801e+01 4.686532801e+01 1.94 4.334843867e+01 4.334843867e+01 1.96 4.007682466e+01 4.007682466e+01 1.98 3.703215527e+01 3.703215527e+01 2.00 3.419770429e+01 3.419770429e+01 2.02 3.155808518e+01 3.155808518e+01 2.04 2.909907536e+01 2.909907536e+01 2.06 2.680750313e+01 2.680750313e+01 2.08 2.467116976e+01 2.467116976e+01 2.10 2.267878449e+01 2.267878449e+01 2.12 2.081991668e+01 2.081991668e+01 2.14 1.908495767e+01 1.908495767e+01 2.16 1.746509028e+01 1.746509028e+01 2.18 1.595226306e+01 1.595226306e+01 2.20 1.453915271e+01 1.453915271e+01 2.22 1.321911763e+01 1.321911763e+01 2.24 1.198613383e+01 1.198613383e+01 2.26 1.083472093e+01 1.083472093e+01 2.28 9.759867972e+00 9.759867972e+00 2.30 8.756954845e+00 8.756954845e+00 2.32 7.821682840e+00 7.821682840e+00 2.34 6.950015176e+00 6.950015176e+00 2.36 6.138119981e+00 6.138119981e+00 2.38 5.382329077e+00 5.382329077e+00 2.40 4.679112505e+00 4.679112505e+00 2.42 4.025075168e+00 4.025075168e+00 2.44 3.416973849e+00 3.416973849e+00 2.46 2.851752017e+00 2.851752017e+00 2.48 2.326576148e+00 2.326576148e+00 2.50 1.838859407e+00 1.838859407e+00 2.52 1.386262303e+00 1.386262303e+00 2.54 9.666700952e-01 9.666700952e-01 2.56 5.781313884e-01 5.781313884e-01 2.58 2.179308426e-01 2.179308426e-01 2.60 -1.157779009e-01 -1.157779009e-01 2.62 -4.243248105e-01 -4.243248105e-01 2.64 -7.089951849e-01 -7.089951849e-01 2.66 -9.710165608e-01 -9.710165608e-01 2.68 -1.211563688e+00 -1.211563688e+00 2.70 -1.431757421e+00 -1.431757421e+00 2.72 -1.632665646e+00 -1.632665646e+00 2.74 -1.815304364e+00 -1.815304364e+00 2.76 -1.980637165e+00 -1.980637165e+00 2.78 -2.129512198e+00 -2.129512198e+00 2.80 -2.262660716e+00 -2.262660716e+00 2.82 -2.380793420e+00 -2.380793420e+00 2.84 -2.484612227e+00 -2.484612227e+00 2.86 -2.574819089e+00 -2.574819089e+00 2.88 -2.652128823e+00 -2.652128823e+00 2.90 -2.717284115e+00 -2.717284115e+00 2.92 -2.771069657e+00 -2.771069657e+00 2.94 -2.814321332e+00 -2.814321332e+00 2.96 -2.847926188e+00 -2.847926188e+00 2.98 -2.872810275e+00 -2.872810275e+00 3.00 -2.889914236e+00 -2.889914236e+00 3.02 -2.900160222e+00 -2.900160222e+00 3.04 -2.904416274e+00 -2.904416274e+00 3.06 -2.903467925e+00 -2.903467925e+00 3.08 -2.897996587e+00 -2.897996587e+00 3.10 -2.888575395e+00 -2.888575395e+00 3.12 -2.875672941e+00 -2.875672941e+00 3.14 -2.859673624e+00 -2.859673624e+00 3.16 -2.840883642e+00 -2.840883642e+00 3.18 -2.819554361e+00 -2.819554361e+00 3.20 -2.795892611e+00 -2.795892611e+00 3.22 -2.770068971e+00 -2.770068971e+00 3.24 -2.742223296e+00 -2.742223296e+00 3.26 -2.712505998e+00 -2.712505998e+00 3.28 -2.681090957e+00 -2.681090957e+00 3.30 -2.648104547e+00 -2.648104547e+00 3.32 -2.613635067e+00 -2.613635067e+00 3.34 -2.577749075e+00 -2.577749075e+00 3.36 -2.540522509e+00 -2.540522509e+00 3.38 -2.502100204e+00 -2.502100204e+00 3.40 -2.462461849e+00 -2.462461849e+00 3.42 -2.421596487e+00 -2.421596487e+00 3.44 -2.379539274e+00 -2.379539274e+00 3.46 -2.336371289e+00 -2.336371289e+00 3.48 -2.292214763e+00 -2.292214763e+00 3.50 -2.247217973e+00 -2.247217973e+00 3.52 -2.201519107e+00 -2.201519107e+00 3.54 -2.155271190e+00 -2.155271190e+00 3.56 -2.108645596e+00 -2.108645596e+00 3.58 -2.061820409e+00 -2.061820409e+00 3.60 -2.014970540e+00 -2.014970540e+00 3.62 -1.968260054e+00 -1.968260054e+00 3.64 -1.921836920e+00 -1.921836920e+00 3.66 -1.875830087e+00 -1.875830087e+00 3.68 -1.830348473e+00 -1.830348473e+00 3.70 -1.785481356e+00 -1.785481356e+00 3.72 -1.741299608e+00 -1.741299608e+00 3.74 -1.697857271e+00 -1.697857271e+00 3.76 -1.655193170e+00 -1.655193170e+00 3.78 -1.613332383e+00 -1.613332383e+00 3.80 -1.572287564e+00 -1.572287564e+00 3.82 -1.532060205e+00 -1.532060205e+00 3.84 -1.492641927e+00 -1.492641927e+00 3.86 -1.454015893e+00 -1.454015893e+00 3.88 -1.416158337e+00 -1.416158337e+00 3.90 -1.379040189e+00 -1.379040189e+00 3.92 -1.342628031e+00 -1.342628031e+00 3.94 -1.306888585e+00 -1.306888585e+00 3.96 -1.271785732e+00 -1.271785732e+00 3.98 -1.237285154e+00 -1.237285154e+00 4.00 -1.203354921e+00 -1.203354921e+00 4.02 -1.169966894e+00 -1.169966894e+00 4.04 -1.137098130e+00 -1.137098130e+00 4.06 -1.104732265e+00 -1.104732265e+00 4.08 -1.072860792e+00 -1.072860792e+00 4.10 -1.041482230e+00 -1.041482230e+00 4.12 -1.010610742e+00 -1.010610742e+00 4.14 -9.802637015e-01 -9.802637015e-01 4.16 -9.504698361e-01 -9.504698361e-01 4.18 -9.212653696e-01 -9.212653696e-01 4.20 -8.926916588e-01 -8.926916588e-01 4.22 -8.647921283e-01 -8.647921283e-01 4.24 -8.376087901e-01 -8.376087901e-01 4.26 -8.111787288e-01 -8.111787288e-01 4.28 -7.855309594e-01 -7.855309594e-01 4.30 -7.606840134e-01 -7.606840134e-01 4.32 -7.366444851e-01 -7.366444851e-01 4.34 -7.134066161e-01 -7.134066161e-01 4.36 -6.909528368e-01 -6.909528368e-01 4.38 -6.692550676e-01 -6.692550676e-01 4.40 -6.482765187e-01 -6.482765187e-01 4.42 -6.279737216e-01 -6.279737216e-01 4.44 -6.082985629e-01 -6.082985629e-01 4.46 -5.892001549e-01 -5.892001549e-01 4.48 -5.706264471e-01 -5.706264471e-01 4.50 -5.525255479e-01 -5.525255479e-01 4.52 -5.348467724e-01 -5.348467724e-01 4.54 -5.175414673e-01 -5.175414673e-01 4.56 -5.005636785e-01 -5.005636785e-01 4.58 -4.838707307e-01 -4.838707307e-01 4.60 -4.674237836e-01 -4.674237836e-01 4.62 -4.511884136e-01 -4.511884136e-01 4.64 -4.351352517e-01 -4.351352517e-01 4.66 -4.192406877e-01 -4.192406877e-01 4.68 -4.034876196e-01 -4.034876196e-01 4.70 -3.878662065e-01 -3.878662065e-01 4.72 -3.723745520e-01 -3.723745520e-01 4.74 -3.570192256e-01 -3.570192256e-01 4.76 -3.418155161e-01 -3.418155161e-01 4.78 -3.267873096e-01 -3.267873096e-01 4.80 -3.119650342e-01 -3.119650342e-01 4.82 -2.973906659e-01 -2.973906659e-01 4.84 -2.831065679e-01 -2.831065679e-01 4.86 -2.691600688e-01 -2.691600688e-01 4.88 -2.555993352e-01 -2.555993352e-01 4.90 -2.424708555e-01 -2.424708555e-01 4.92 -2.298170076e-01 -2.298170076e-01 4.94 -2.176739256e-01 -2.176739256e-01 4.96 -2.060698453e-01 -2.060698453e-01 4.98 -1.950240525e-01 -1.950240525e-01 5.00 -1.845464783e-01 -1.845464783e-01 5.02 -1.746379177e-01 -1.746379177e-01 5.04 -1.652907805e-01 -1.652907805e-01 5.06 -1.564902465e-01 -1.564902465e-01 5.08 -1.482156741e-01 -1.482156741e-01 5.10 -1.404421190e-01 -1.404421190e-01 5.12 -1.331418343e-01 -1.331418343e-01 5.14 -1.262856511e-01 -1.262856511e-01 5.16 -1.198441668e-01 -1.198441668e-01 5.18 -1.137887169e-01 -1.137887169e-01 5.20 -1.080920974e-01 -1.080920974e-01 5.22 -1.027290508e-01 -1.027290508e-01 5.24 -9.767652435e-02 -9.767652435e-02 5.26 -9.291374118e-02 -9.291374118e-02 5.28 -8.842211726e-02 -8.842211726e-02 5.30 -8.418506200e-02 -8.418506200e-02 5.32 -8.018770173e-02 -8.018770173e-02 5.34 -7.641623895e-02 -7.641623895e-02 5.36 -7.285759455e-02 -7.285759455e-02 5.38 -6.950070662e-02 -6.950070662e-02 5.40 -6.633491712e-02 -6.633491712e-02 5.42 -6.334973769e-02 -6.334973769e-02 5.44 -6.053476231e-02 -6.053476231e-02 5.46 -5.787962764e-02 -5.787962764e-02 5.48 -5.537401576e-02 -5.537401576e-02 5.50 -5.300769032e-02 -5.300769032e-02 5.52 -5.077055531e-02 -5.077055531e-02 5.54 -4.865272576e-02 -4.865272576e-02 5.56 -4.664460122e-02 -4.664460122e-02 5.58 -4.473693458e-02 -4.473693458e-02 5.60 -4.292089167e-02 -4.292089167e-02 5.62 -4.118809873e-02 -4.118809873e-02 5.64 -3.953067718e-02 -3.953067718e-02 5.66 -3.794126626e-02 -3.794126626e-02 5.68 -3.641303532e-02 -3.641303532e-02 5.70 -3.493968783e-02 -3.493968783e-02 5.72 -3.351545958e-02 -3.351545958e-02 5.74 -3.213511335e-02 -3.213511335e-02 5.76 -3.079393202e-02 -3.079393202e-02 5.78 -2.948771176e-02 -2.948771176e-02 5.80 -2.821275732e-02 -2.821275732e-02 5.82 -2.696587832e-02 -2.696587832e-02 5.84 -2.574438770e-02 -2.574438770e-02 5.86 -2.454610194e-02 -2.454610194e-02 5.88 -2.336934179e-02 -2.336934179e-02 5.90 -2.221293207e-02 -2.221293207e-02 5.92 -2.107619882e-02 -2.107619882e-02 5.94 -1.995896137e-02 -1.995896137e-02 5.96 -1.886151687e-02 -1.886151687e-02 5.98 -1.778461738e-02 -1.778461738e-02 6.00 -1.672943438e-02 -1.672943438e-02