# 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 = Cu2MoNi # 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 1.379192079e+02 1.379192079e+02 1.30 1.267136620e+02 1.267136620e+02 1.32 1.164045888e+02 1.164045888e+02 1.34 1.069116622e+02 1.069116622e+02 1.36 9.816019761e+01 9.816019761e+01 1.38 9.008243934e+01 9.008243934e+01 1.40 8.261833140e+01 8.261833140e+01 1.42 7.571589218e+01 7.571589218e+01 1.44 6.933051867e+01 6.933051867e+01 1.46 6.342314964e+01 6.342314964e+01 1.48 5.795826169e+01 5.795826169e+01 1.50 5.290274804e+01 5.290274804e+01 1.52 4.822589731e+01 4.822589731e+01 1.54 4.389976373e+01 4.389976373e+01 1.56 3.989913012e+01 3.989913012e+01 1.58 3.620105380e+01 3.620105380e+01 1.60 3.278464630e+01 3.278464630e+01 1.62 2.963309128e+01 2.963309128e+01 1.64 2.672997797e+01 2.672997797e+01 1.66 2.405959044e+01 2.405959044e+01 1.68 2.160710058e+01 2.160710058e+01 1.70 1.935790566e+01 1.935790566e+01 1.72 1.729714711e+01 1.729714711e+01 1.74 1.540939714e+01 1.540939714e+01 1.76 1.367886591e+01 1.367886591e+01 1.78 1.208997639e+01 1.208997639e+01 1.80 1.062812418e+01 1.062812418e+01 1.82 9.280376267e+00 9.280376267e+00 1.84 8.035884102e+00 8.035884102e+00 1.86 6.885901907e+00 6.885901907e+00 1.88 5.823466572e+00 5.823466572e+00 1.90 4.842908713e+00 4.842908713e+00 1.92 3.939373521e+00 3.939373521e+00 1.94 3.108465622e+00 3.108465622e+00 1.96 2.346046612e+00 2.346046612e+00 1.98 1.648146282e+00 1.648146282e+00 2.00 1.010922751e+00 1.010922751e+00 2.02 4.306244869e-01 4.306244869e-01 2.04 -9.645590196e-02 -9.645590196e-02 2.06 -5.740198062e-01 -5.740198062e-01 2.08 -1.005771580e+00 -1.005771580e+00 2.10 -1.395387903e+00 -1.395387903e+00 2.12 -1.746452875e+00 -1.746452875e+00 2.14 -2.062377420e+00 -2.062377420e+00 2.16 -2.346327460e+00 -2.346327460e+00 2.18 -2.601181428e+00 -2.601181428e+00 2.20 -2.829525849e+00 -2.829525849e+00 2.22 -3.033684062e+00 -3.033684062e+00 2.24 -3.215764860e+00 -3.215764860e+00 2.26 -3.377690958e+00 -3.377690958e+00 2.28 -3.521126834e+00 -3.521126834e+00 2.30 -3.648050187e+00 -3.648050187e+00 2.32 -3.760392864e+00 -3.760392864e+00 2.34 -3.859929431e+00 -3.859929431e+00 2.36 -3.948236614e+00 -3.948236614e+00 2.38 -4.026640773e+00 -4.026640773e+00 2.40 -4.096145954e+00 -4.096145954e+00 2.42 -4.157268442e+00 -4.157268442e+00 2.44 -4.210312958e+00 -4.210312958e+00 2.46 -4.255519306e+00 -4.255519306e+00 2.48 -4.293096447e+00 -4.293096447e+00 2.50 -4.323254500e+00 -4.323254500e+00 2.52 -4.346221458e+00 -4.346221458e+00 2.54 -4.362249031e+00 -4.362249031e+00 2.56 -4.371612124e+00 -4.371612124e+00 2.58 -4.374606294e+00 -4.374606294e+00 2.60 -4.371529922e+00 -4.371529922e+00 2.62 -4.362581857e+00 -4.362581857e+00 2.64 -4.348241674e+00 -4.348241674e+00 2.66 -4.328824966e+00 -4.328824966e+00 2.68 -4.304199191e+00 -4.304199191e+00 2.70 -4.274356789e+00 -4.274356789e+00 2.72 -4.239399708e+00 -4.239399708e+00 2.74 -4.199516085e+00 -4.199516085e+00 2.76 -4.154951622e+00 -4.154951622e+00 2.78 -4.105979211e+00 -4.105979211e+00 2.80 -4.052880442e+00 -4.052880442e+00 2.82 -3.995961988e+00 -3.995961988e+00 2.84 -3.935509652e+00 -3.935509652e+00 2.86 -3.871779148e+00 -3.871779148e+00 2.88 -3.805011431e+00 -3.805011431e+00 2.90 -3.735450296e+00 -3.735450296e+00 2.92 -3.663357520e+00 -3.663357520e+00 2.94 -3.589022400e+00 -3.589022400e+00 2.96 -3.512764197e+00 -3.512764197e+00 2.98 -3.434927403e+00 -3.434927403e+00 3.00 -3.355870932e+00 -3.355870932e+00 3.02 -3.275953146e+00 -3.275953146e+00 3.04 -3.195515074e+00 -3.195515074e+00 3.06 -3.114864274e+00 -3.114864274e+00 3.08 -3.034261448e+00 -3.034261448e+00 3.10 -2.953911311e+00 -2.953911311e+00 3.12 -2.873958437e+00 -2.873958437e+00 3.14 -2.794488077e+00 -2.794488077e+00 3.16 -2.715531382e+00 -2.715531382e+00 3.18 -2.637074163e+00 -2.637074163e+00 3.20 -2.559068179e+00 -2.559068179e+00 3.22 -2.481444041e+00 -2.481444041e+00 3.24 -2.404124879e+00 -2.404124879e+00 3.26 -2.327040039e+00 -2.327040039e+00 3.28 -2.250138089e+00 -2.250138089e+00 3.30 -2.173398400e+00 -2.173398400e+00 3.32 -2.096840535e+00 -2.096840535e+00 3.34 -2.020530698e+00 -2.020530698e+00 3.36 -1.944584558e+00 -1.944584558e+00 3.38 -1.869166012e+00 -1.869166012e+00 3.40 -1.794481764e+00 -1.794481764e+00 3.42 -1.720772026e+00 -1.720772026e+00 3.44 -1.648298077e+00 -1.648298077e+00 3.46 -1.577327814e+00 -1.577327814e+00 3.48 -1.508120667e+00 -1.508120667e+00 3.50 -1.440913320e+00 -1.440913320e+00 3.52 -1.375907561e+00 -1.375907561e+00 3.54 -1.313261245e+00 -1.313261245e+00 3.56 -1.253082965e+00 -1.253082965e+00 3.58 -1.195430525e+00 -1.195430525e+00 3.60 -1.140312959e+00 -1.140312959e+00 3.62 -1.087695476e+00 -1.087695476e+00 3.64 -1.037506597e+00 -1.037506597e+00 3.66 -9.896466809e-01 -9.896466809e-01 3.68 -9.439970901e-01 -9.439970901e-01 3.70 -9.004293621e-01 -9.004293621e-01 3.72 -8.588138367e-01 -8.588138367e-01 3.74 -8.190272927e-01 -8.190272927e-01 3.76 -7.809591923e-01 -7.809591923e-01 3.78 -7.445161801e-01 -7.445161801e-01 3.80 -7.096245371e-01 -7.096245371e-01 3.82 -6.762303993e-01 -6.762303993e-01 3.84 -6.442977293e-01 -6.442977293e-01 3.86 -6.138042780e-01 -6.138042780e-01 3.88 -5.847360515e-01 -5.847360515e-01 3.90 -5.570810383e-01 -5.570810383e-01 3.92 -5.308230729e-01 -5.308230729e-01 3.94 -5.059366734e-01 -5.059366734e-01 3.96 -4.823834813e-01 -4.823834813e-01 3.98 -4.601106071e-01 -4.601106071e-01 4.00 -4.390508374e-01 -4.390508374e-01 4.02 -4.191243700e-01 -4.191243700e-01 4.04 -4.002415736e-01 -4.002415736e-01 4.06 -3.823062373e-01 -3.823062373e-01 4.08 -3.652188480e-01 -3.652188480e-01 4.10 -3.488795698e-01 -3.488795698e-01 4.12 -3.331907560e-01 -3.331907560e-01 4.14 -3.180589532e-01 -3.180589532e-01 4.16 -3.033964587e-01 -3.033964587e-01 4.18 -2.891225424e-01 -2.891225424e-01 4.20 -2.751644657e-01 -2.751644657e-01 4.22 -2.614584199e-01 -2.614584199e-01 4.24 -2.479504744e-01 -2.479504744e-01 4.26 -2.345975815e-01 -2.345975815e-01 4.28 -2.213686323e-01 -2.213686323e-01 4.30 -2.082454983e-01 -2.082454983e-01 4.32 -1.952239391e-01 -1.952239391e-01 4.34 -1.823142097e-01 -1.823142097e-01 4.36 -1.695411708e-01 -1.695411708e-01 4.38 -1.569437101e-01 -1.569437101e-01 4.40 -1.445733185e-01 -1.445733185e-01 4.42 -1.324917484e-01 -1.324917484e-01 4.44 -1.207677950e-01 -1.207677950e-01 4.46 -1.094733780e-01 -1.094733780e-01 4.48 -9.867922424e-02 -9.867922424e-02 4.50 -8.845054544e-02 -8.845054544e-02 4.52 -7.884313132e-02 -7.884313132e-02 4.54 -6.990023947e-02 -6.990023947e-02 4.56 -6.165055084e-02 -6.165055084e-02 4.58 -5.410732529e-02 -5.410732529e-02 4.60 -4.726871739e-02 -4.726871739e-02 4.62 -4.111907660e-02 -4.111907660e-02 4.64 -3.563082668e-02 -3.563082668e-02 4.66 -3.076703352e-02 -3.076703352e-02 4.68 -2.648455169e-02 -2.648455169e-02 4.70 -2.273597155e-02 -2.273597155e-02 4.72 -1.947146610e-02 -1.947146610e-02 4.74 -1.664160445e-02 -1.664160445e-02 4.76 -1.419871146e-02 -1.419871146e-02 4.78 -1.209741646e-02 -1.209741646e-02 4.80 -1.029546732e-02 -1.029546732e-02 4.82 -8.754199143e-03 -8.754199143e-03 4.84 -7.438732430e-03 -7.438732430e-03 4.86 -6.317971974e-03 -6.317971974e-03 4.88 -5.364466237e-03 -5.364466237e-03 4.90 -4.554176791e-03 -4.554176791e-03 4.92 -3.866196044e-03 -3.866196044e-03 4.94 -3.282441674e-03 -3.282441674e-03 4.96 -2.787347901e-03 -2.787347901e-03 4.98 -2.367567120e-03 -2.367567120e-03 5.00 -2.011690351e-03 -2.011690351e-03 5.02 -1.709991193e-03 -1.709991193e-03 5.04 -1.454195319e-03 -1.454195319e-03 5.06 -1.237275738e-03 -1.237275738e-03 5.08 -1.053272842e-03 -1.053272842e-03 5.10 -8.971375842e-04 -8.971375842e-04 5.12 -7.645957423e-04 -7.645957423e-04 5.14 -6.520310708e-04 -6.520310708e-04 5.16 -5.563851739e-04 -5.563851739e-04 5.18 -4.750720128e-04 -4.750720128e-04 5.20 -4.059051243e-04 -4.059051243e-04 5.22 -3.470358078e-04 -3.470358078e-04 5.24 -2.969007284e-04 -2.969007284e-04 5.26 -2.541775685e-04 -2.541775685e-04 5.28 -2.177475346e-04 -2.177475346e-04 5.30 -1.866636893e-04 -1.866636893e-04 5.32 -1.601242198e-04 -1.601242198e-04 5.34 -1.374498841e-04 -1.374498841e-04 5.36 -1.180649883e-04 -1.180649883e-04 5.38 -1.014813419e-04 -1.014813419e-04 5.40 -8.728472796e-05 -8.728472796e-05 5.42 -7.512349096e-05 -7.512349096e-05 5.44 -6.469890982e-05 -6.469890982e-05 5.46 -5.575707478e-05 -5.575707478e-05 5.48 -4.808203084e-05 -4.808203084e-05 5.50 -4.148998815e-05 -4.148998815e-05 5.52 -3.582443118e-05 -3.582443118e-05 5.54 -3.095198529e-05 -3.095198529e-05 5.56 -2.675892165e-05 -2.675892165e-05 5.58 -2.314820026e-05 -2.314820026e-05 5.60 -2.003696700e-05 -2.003696700e-05 5.62 -1.735443365e-05 -1.735443365e-05 5.64 -1.504008138e-05 -1.504008138e-05 5.66 -1.304213722e-05 -1.304213722e-05 5.68 -1.131628146e-05 -1.131628146e-05 5.70 -9.824550170e-06 -9.824550170e-06 5.72 -8.534402792e-06 -8.534402792e-06 5.74 -7.417929562e-06 -7.417929562e-06 5.76 -6.451177271e-06 -6.451177271e-06 5.78 -5.613575388e-06 -5.613575388e-06 5.80 -4.887447268e-06 -4.887447268e-06 5.82 -4.257593573e-06 -4.257593573e-06 5.84 -3.710937002e-06 -3.710937002e-06 5.86 -3.236219121e-06 -3.236219121e-06 5.88 -2.823741484e-06 -2.823741484e-06 5.90 -2.465144429e-06 -2.465144429e-06 5.92 -2.153217960e-06 -2.153217960e-06 5.94 -1.881739942e-06 -1.881739942e-06 5.96 -1.645337591e-06 -1.645337591e-06 5.98 -1.439368826e-06 -1.439368826e-06 6.00 -1.259820569e-06 -1.259820569e-06