# 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 = Mo2PbW # 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 4.344313633e+02 4.344313633e+02 1.30 4.037517622e+02 4.037517622e+02 1.32 3.752949804e+02 3.752949804e+02 1.34 3.488884096e+02 3.488884096e+02 1.36 3.243763568e+02 3.243763568e+02 1.38 3.016152927e+02 3.016152927e+02 1.40 2.804707731e+02 2.804707731e+02 1.42 2.608165025e+02 2.608165025e+02 1.44 2.425347954e+02 2.425347954e+02 1.46 2.255172975e+02 2.255172975e+02 1.48 2.096653953e+02 2.096653953e+02 1.50 1.948902802e+02 1.948902802e+02 1.52 1.811127211e+02 1.811127211e+02 1.54 1.682624058e+02 1.682624058e+02 1.56 1.562767601e+02 1.562767601e+02 1.58 1.450993789e+02 1.450993789e+02 1.60 1.346783663e+02 1.346783663e+02 1.62 1.249649281e+02 1.249649281e+02 1.64 1.159124348e+02 1.159124348e+02 1.66 1.074760510e+02 1.074760510e+02 1.68 9.961281494e+01 9.961281494e+01 1.70 9.228199675e+01 9.228199675e+01 1.72 8.544548739e+01 8.544548739e+01 1.74 7.906806031e+01 7.906806031e+01 1.76 7.311741716e+01 7.311741716e+01 1.78 6.756403733e+01 6.756403733e+01 1.80 6.238091621e+01 6.238091621e+01 1.82 5.754329476e+01 5.754329476e+01 1.84 5.302861017e+01 5.302861017e+01 1.86 4.881648951e+01 4.881648951e+01 1.88 4.489097739e+01 4.489097739e+01 1.90 4.124219161e+01 4.124219161e+01 1.92 3.785305428e+01 3.785305428e+01 1.94 3.470606508e+01 3.470606508e+01 1.96 3.178478361e+01 3.178478361e+01 1.98 2.907369614e+01 2.907369614e+01 2.00 2.655810145e+01 2.655810145e+01 2.02 2.422401347e+01 2.422401347e+01 2.04 2.205807730e+01 2.205807730e+01 2.06 2.004751088e+01 2.004751088e+01 2.08 1.818008753e+01 1.818008753e+01 2.10 1.644417623e+01 1.644417623e+01 2.12 1.482883539e+01 1.482883539e+01 2.14 1.332393930e+01 1.332393930e+01 2.16 1.192030266e+01 1.192030266e+01 2.18 1.060976242e+01 1.060976242e+01 2.20 9.385185190e+00 9.385185190e+00 2.22 8.240401582e+00 8.240401582e+00 2.24 7.170079906e+00 7.170079906e+00 2.26 6.169570671e+00 6.169570671e+00 2.28 5.234745888e+00 5.234745888e+00 2.30 4.361864613e+00 4.361864613e+00 2.32 3.547456972e+00 3.547456972e+00 2.34 2.788252611e+00 2.788252611e+00 2.36 2.081129880e+00 2.081129880e+00 2.38 1.423094409e+00 1.423094409e+00 2.40 8.112747426e-01 8.112747426e-01 2.42 2.429296880e-01 2.429296880e-01 2.44 -2.845405395e-01 -2.845405395e-01 2.46 -7.735818625e-01 -7.735818625e-01 2.48 -1.226477633e+00 -1.226477633e+00 2.50 -1.645327567e+00 -1.645327567e+00 2.52 -2.032024236e+00 -2.032024236e+00 2.54 -2.388411340e+00 -2.388411340e+00 2.56 -2.716188461e+00 -2.716188461e+00 2.58 -3.016911603e+00 -3.016911603e+00 2.60 -3.292011405e+00 -3.292011405e+00 2.62 -3.542812536e+00 -3.542812536e+00 2.64 -3.770556793e+00 -3.770556793e+00 2.66 -3.976419096e+00 -3.976419096e+00 2.68 -4.161508121e+00 -4.161508121e+00 2.70 -4.326533794e+00 -4.326533794e+00 2.72 -4.472451100e+00 -4.472451100e+00 2.74 -4.600385958e+00 -4.600385958e+00 2.76 -4.711446982e+00 -4.711446982e+00 2.78 -4.806719819e+00 -4.806719819e+00 2.80 -4.887259923e+00 -4.887259923e+00 2.82 -4.954085094e+00 -4.954085094e+00 2.84 -5.008157758e+00 -5.008157758e+00 2.86 -5.050058210e+00 -5.050058210e+00 2.88 -5.079994545e+00 -5.079994545e+00 2.90 -5.098199358e+00 -5.098199358e+00 2.92 -5.104953283e+00 -5.104953283e+00 2.94 -5.100588398e+00 -5.100588398e+00 2.96 -5.085490912e+00 -5.085490912e+00 2.98 -5.060100593e+00 -5.060100593e+00 3.00 -5.024905139e+00 -5.024905139e+00 3.02 -4.980428968e+00 -4.980428968e+00 3.04 -4.927216492e+00 -4.927216492e+00 3.06 -4.865816564e+00 -4.865816564e+00 3.08 -4.796758634e+00 -4.796758634e+00 3.10 -4.720540095e+00 -4.720540095e+00 3.12 -4.637612909e+00 -4.637612909e+00 3.14 -4.548380729e+00 -4.548380729e+00 3.16 -4.453193328e+00 -4.453193328e+00 3.18 -4.352354520e+00 -4.352354520e+00 3.20 -4.246129398e+00 -4.246129398e+00 3.22 -4.134755609e+00 -4.134755609e+00 3.24 -4.018502916e+00 -4.018502916e+00 3.26 -3.897590888e+00 -3.897590888e+00 3.28 -3.772126933e+00 -3.772126933e+00 3.30 -3.642293089e+00 -3.642293089e+00 3.32 -3.508364937e+00 -3.508364937e+00 3.34 -3.370699480e+00 -3.370699480e+00 3.36 -3.229721496e+00 -3.229721496e+00 3.38 -3.085998432e+00 -3.085998432e+00 3.40 -2.940250490e+00 -2.940250490e+00 3.42 -2.793341617e+00 -2.793341617e+00 3.44 -2.646256507e+00 -2.646256507e+00 3.46 -2.500067432e+00 -2.500067432e+00 3.48 -2.355890092e+00 -2.355890092e+00 3.50 -2.214833412e+00 -2.214833412e+00 3.52 -2.077948044e+00 -2.077948044e+00 3.54 -1.946178833e+00 -1.946178833e+00 3.56 -1.820325966e+00 -1.820325966e+00 3.58 -1.701018174e+00 -1.701018174e+00 3.60 -1.588699525e+00 -1.588699525e+00 3.62 -1.483629546e+00 -1.483629546e+00 3.64 -1.385894799e+00 -1.385894799e+00 3.66 -1.295429078e+00 -1.295429078e+00 3.68 -1.212038919e+00 -1.212038919e+00 3.70 -1.135431267e+00 -1.135431267e+00 3.72 -1.065240656e+00 -1.065240656e+00 3.74 -1.001053973e+00 -1.001053973e+00 3.76 -9.424316702e-01 -9.424316702e-01 3.78 -8.889249841e-01 -8.889249841e-01 3.80 -8.400892395e-01 -8.400892395e-01 3.82 -7.954936682e-01 -7.954936682e-01 3.84 -7.547283106e-01 -7.547283106e-01 3.86 -7.174085891e-01 -7.174085891e-01 3.88 -6.831780642e-01 -6.831780642e-01 3.90 -6.517097905e-01 -6.517097905e-01 3.92 -6.227060680e-01 -6.227060680e-01 3.94 -5.959000971e-01 -5.959000971e-01 3.96 -5.710513216e-01 -5.710513216e-01 3.98 -5.479462583e-01 -5.479462583e-01 4.00 -5.263959371e-01 -5.263959371e-01 4.02 -5.062338039e-01 -5.062338039e-01 4.04 -4.873135662e-01 -4.873135662e-01 4.06 -4.695070701e-01 -4.695070701e-01 4.08 -4.527017129e-01 -4.527017129e-01 4.10 -4.367981377e-01 -4.367981377e-01 4.12 -4.217145847e-01 -4.217145847e-01 4.14 -4.073750048e-01 -4.073750048e-01 4.16 -3.937143049e-01 -3.937143049e-01 4.18 -3.806754596e-01 -3.806754596e-01 4.20 -3.682084552e-01 -3.682084552e-01 4.22 -3.562693500e-01 -3.562693500e-01 4.24 -3.448194468e-01 -3.448194468e-01 4.26 -3.338245720e-01 -3.338245720e-01 4.28 -3.232544508e-01 -3.232544508e-01 4.30 -3.130821678e-01 -3.130821678e-01 4.32 -3.032837031e-01 -3.032837031e-01 4.34 -2.938375347e-01 -2.938375347e-01 4.36 -2.847242970e-01 -2.847242970e-01 4.38 -2.759264889e-01 -2.759264889e-01 4.40 -2.674282240e-01 -2.674282240e-01 4.42 -2.592150161e-01 -2.592150161e-01 4.44 -2.512735967e-01 -2.512735967e-01 4.46 -2.435917575e-01 -2.435917575e-01 4.48 -2.361582160e-01 -2.361582160e-01 4.50 -2.289624999e-01 -2.289624999e-01 4.52 -2.219948475e-01 -2.219948475e-01 4.54 -2.152461224e-01 -2.152461224e-01 4.56 -2.087077389e-01 -2.087077389e-01 4.58 -2.023715985e-01 -2.023715985e-01 4.60 -1.962300336e-01 -1.962300336e-01 4.62 -1.902757599e-01 -1.902757599e-01 4.64 -1.845018337e-01 -1.845018337e-01 4.66 -1.789016150e-01 -1.789016150e-01 4.68 -1.734687352e-01 -1.734687352e-01 4.70 -1.681970690e-01 -1.681970690e-01 4.72 -1.630807095e-01 -1.630807095e-01 4.74 -1.581139467e-01 -1.581139467e-01 4.76 -1.532912493e-01 -1.532912493e-01 4.78 -1.486072484e-01 -1.486072484e-01 4.80 -1.440559297e-01 -1.440559297e-01 4.82 -1.396339328e-01 -1.396339328e-01 4.84 -1.353353674e-01 -1.353353674e-01 4.86 -1.311554194e-01 -1.311554194e-01 4.88 -1.270894024e-01 -1.270894024e-01 4.90 -1.231327609e-01 -1.231327609e-01 4.92 -1.192810776e-01 -1.192810776e-01 4.94 -1.155300854e-01 -1.155300854e-01 4.96 -1.118756838e-01 -1.118756838e-01 4.98 -1.083139606e-01 -1.083139606e-01 5.00 -1.048412179e-01 -1.048412179e-01 5.02 -1.014540037e-01 -1.014540037e-01 5.04 -9.814914616e-02 -9.814914616e-02 5.06 -9.492379154e-02 -9.492379154e-02 5.08 -9.177544227e-02 -9.177544227e-02 5.10 -8.870199358e-02 -8.870199358e-02 5.12 -8.570176522e-02 -8.570176522e-02 5.14 -8.277352447e-02 -8.277352447e-02 5.16 -7.991649648e-02 -7.991649648e-02 5.18 -7.713035798e-02 -7.713035798e-02 5.20 -7.441521088e-02 -7.441521088e-02 5.22 -7.177153348e-02 -7.177153348e-02 5.24 -6.920010882e-02 -6.920010882e-02 5.26 -6.670191732e-02 -6.670191732e-02 5.28 -6.427797101e-02 -6.427797101e-02 5.30 -6.192936670e-02 -6.192936670e-02 5.32 -5.965707159e-02 -5.965707159e-02 5.34 -5.746178206e-02 -5.746178206e-02 5.36 -5.534381886e-02 -5.534381886e-02 5.38 -5.330304579e-02 -5.330304579e-02 5.40 -5.133881472e-02 -5.133881472e-02 5.42 -4.944994113e-02 -4.944994113e-02 5.44 -4.763470952e-02 -4.763470952e-02 5.46 -4.589090521e-02 -4.589090521e-02 5.48 -4.421586787e-02 -4.421586787e-02 5.50 -4.260656019e-02 -4.260656019e-02 5.52 -4.105964552e-02 -4.105964552e-02 5.54 -3.957156835e-02 -3.957156835e-02 5.56 -3.813863269e-02 -3.813863269e-02 5.58 -3.675707459e-02 -3.675707459e-02 5.60 -3.542312662e-02 -3.542312662e-02 5.62 -3.413307299e-02 -3.413307299e-02 5.64 -3.288329423e-02 -3.288329423e-02 5.66 -3.167030484e-02 -3.167030484e-02 5.68 -3.049078295e-02 -3.049078295e-02 5.70 -2.934159382e-02 -2.934159382e-02 5.72 -2.821980911e-02 -2.821980911e-02 5.74 -2.712272330e-02 -2.712272330e-02 5.76 -2.604786846e-02 -2.604786846e-02 5.78 -2.499302879e-02 -2.499302879e-02 5.80 -2.395625516e-02 -2.395625516e-02 5.82 -2.293588040e-02 -2.293588040e-02 5.84 -2.193053512e-02 -2.193053512e-02 5.86 -2.093916348e-02 -2.093916348e-02 5.88 -1.996103835e-02 -1.996103835e-02 5.90 -1.899577432e-02 -1.899577432e-02 5.92 -1.804333718e-02 -1.804333718e-02 5.94 -1.710403177e-02 -1.710403177e-02 5.96 -1.617844033e-02 -1.617844033e-02 5.98 -1.526758448e-02 -1.526758448e-02 6.00 -1.437282092e-02 -1.437282092e-02