# 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 = AlPbZr2 # 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 3.596975839e+02 3.596975839e+02 1.30 3.366230626e+02 3.366230626e+02 1.32 3.151310887e+02 3.151310887e+02 1.34 2.950994084e+02 2.950994084e+02 1.36 2.764150816e+02 2.764150816e+02 1.38 2.589748996e+02 2.589748996e+02 1.40 2.426856214e+02 2.426856214e+02 1.42 2.274634899e+02 2.274634899e+02 1.44 2.132328720e+02 2.132328720e+02 1.46 1.999240164e+02 1.999240164e+02 1.48 1.874711276e+02 1.874711276e+02 1.50 1.758121564e+02 1.758121564e+02 1.52 1.648899442e+02 1.648899442e+02 1.54 1.546528949e+02 1.546528949e+02 1.56 1.450545650e+02 1.450545650e+02 1.58 1.360524814e+02 1.360524814e+02 1.60 1.276071033e+02 1.276071033e+02 1.62 1.196812322e+02 1.196812322e+02 1.64 1.122399400e+02 1.122399400e+02 1.66 1.052506171e+02 1.052506171e+02 1.68 9.868303397e+01 9.868303397e+01 1.70 9.250931387e+01 9.250931387e+01 1.72 8.670369924e+01 8.670369924e+01 1.74 8.124221753e+01 8.124221753e+01 1.76 7.610241139e+01 7.610241139e+01 1.78 7.126324311e+01 7.126324311e+01 1.80 6.670512777e+01 6.670512777e+01 1.82 6.240994875e+01 6.240994875e+01 1.84 5.836107447e+01 5.836107447e+01 1.86 5.454334911e+01 5.454334911e+01 1.88 5.094297433e+01 5.094297433e+01 1.90 4.754735735e+01 4.754735735e+01 1.92 4.434559958e+01 4.434559958e+01 1.94 4.132690681e+01 4.132690681e+01 1.96 3.848077673e+01 3.848077673e+01 1.98 3.579881055e+01 3.579881055e+01 2.00 3.327574986e+01 3.327574986e+01 2.02 3.090306033e+01 3.090306033e+01 2.04 2.867163712e+01 2.867163712e+01 2.06 2.657302714e+01 2.657302714e+01 2.08 2.459941948e+01 2.459941948e+01 2.10 2.274359566e+01 2.274359566e+01 2.12 2.099882267e+01 2.099882267e+01 2.14 1.935876684e+01 1.935876684e+01 2.16 1.781741792e+01 1.781741792e+01 2.18 1.636903657e+01 1.636903657e+01 2.20 1.500814714e+01 1.500814714e+01 2.22 1.372953224e+01 1.372953224e+01 2.24 1.252824791e+01 1.252824791e+01 2.26 1.139964662e+01 1.139964662e+01 2.28 1.033938410e+01 1.033938410e+01 2.30 9.343451345e+00 9.343451345e+00 2.32 8.408150449e+00 8.408150449e+00 2.34 7.530060360e+00 7.530060360e+00 2.36 6.705997749e+00 6.705997749e+00 2.38 5.932972078e+00 5.932972078e+00 2.40 5.208151383e+00 5.208151383e+00 2.42 4.528833676e+00 4.528833676e+00 2.44 3.892443274e+00 3.892443274e+00 2.46 3.296525772e+00 3.296525772e+00 2.48 2.738757587e+00 2.738757587e+00 2.50 2.216952260e+00 2.216952260e+00 2.52 1.729055600e+00 1.729055600e+00 2.54 1.273126640e+00 1.273126640e+00 2.56 8.473109052e-01 8.473109052e-01 2.58 4.498178032e-01 4.498178032e-01 2.60 7.891162827e-02 7.891162827e-02 2.62 -2.670809420e-01 -2.670809420e-01 2.64 -5.897550575e-01 -5.897550575e-01 2.66 -8.906036675e-01 -8.906036675e-01 2.68 -1.171005546e+00 -1.171005546e+00 2.70 -1.432220758e+00 -1.432220758e+00 2.72 -1.675396981e+00 -1.675396981e+00 2.74 -1.901636369e+00 -1.901636369e+00 2.76 -2.111955087e+00 -2.111955087e+00 2.78 -2.307133268e+00 -2.307133268e+00 2.80 -2.487916443e+00 -2.487916443e+00 2.82 -2.655004454e+00 -2.655004454e+00 2.84 -2.809065201e+00 -2.809065201e+00 2.86 -2.950733589e+00 -2.950733589e+00 2.88 -3.080615103e+00 -3.080615103e+00 2.90 -3.199290060e+00 -3.199290060e+00 2.92 -3.307286298e+00 -3.307286298e+00 2.94 -3.404951761e+00 -3.404951761e+00 2.96 -3.492605930e+00 -3.492605930e+00 2.98 -3.570602663e+00 -3.570602663e+00 3.00 -3.639325455e+00 -3.639325455e+00 3.02 -3.699182607e+00 -3.699182607e+00 3.04 -3.750598111e+00 -3.750598111e+00 3.06 -3.794022954e+00 -3.794022954e+00 3.08 -3.829902316e+00 -3.829902316e+00 3.10 -3.858689136e+00 -3.858689136e+00 3.12 -3.880831923e+00 -3.880831923e+00 3.14 -3.896779462e+00 -3.896779462e+00 3.16 -3.907029581e+00 -3.907029581e+00 3.18 -3.912528771e+00 -3.912528771e+00 3.20 -3.913607278e+00 -3.913607278e+00 3.22 -3.910454066e+00 -3.910454066e+00 3.24 -3.903274861e+00 -3.903274861e+00 3.26 -3.892285399e+00 -3.892285399e+00 3.28 -3.877707049e+00 -3.877707049e+00 3.30 -3.859764159e+00 -3.859764159e+00 3.32 -3.838681893e+00 -3.838681893e+00 3.34 -3.814683583e+00 -3.814683583e+00 3.36 -3.787990617e+00 -3.787990617e+00 3.38 -3.758821792e+00 -3.758821792e+00 3.40 -3.727379556e+00 -3.727379556e+00 3.42 -3.693854142e+00 -3.693854142e+00 3.44 -3.658413248e+00 -3.658413248e+00 3.46 -3.621211292e+00 -3.621211292e+00 3.48 -3.582389854e+00 -3.582389854e+00 3.50 -3.542080202e+00 -3.542080202e+00 3.52 -3.500405369e+00 -3.500405369e+00 3.54 -3.457481592e+00 -3.457481592e+00 3.56 -3.413419100e+00 -3.413419100e+00 3.58 -3.368322420e+00 -3.368322420e+00 3.60 -3.322290394e+00 -3.322290394e+00 3.62 -3.275416112e+00 -3.275416112e+00 3.64 -3.227786935e+00 -3.227786935e+00 3.66 -3.179484735e+00 -3.179484735e+00 3.68 -3.130586456e+00 -3.130586456e+00 3.70 -3.081165068e+00 -3.081165068e+00 3.72 -3.031290920e+00 -3.031290920e+00 3.74 -2.981033499e+00 -2.981033499e+00 3.76 -2.930477439e+00 -2.930477439e+00 3.78 -2.879707361e+00 -2.879707361e+00 3.80 -2.828783304e+00 -2.828783304e+00 3.82 -2.777775182e+00 -2.777775182e+00 3.84 -2.726762939e+00 -2.726762939e+00 3.86 -2.675834815e+00 -2.675834815e+00 3.88 -2.625084027e+00 -2.625084027e+00 3.90 -2.574604107e+00 -2.574604107e+00 3.92 -2.524480055e+00 -2.524480055e+00 3.94 -2.474797650e+00 -2.474797650e+00 3.96 -2.425615994e+00 -2.425615994e+00 3.98 -2.376978018e+00 -2.376978018e+00 4.00 -2.328907177e+00 -2.328907177e+00 4.02 -2.281412203e+00 -2.281412203e+00 4.04 -2.234489627e+00 -2.234489627e+00 4.06 -2.188126980e+00 -2.188126980e+00 4.08 -2.142306102e+00 -2.142306102e+00 4.10 -2.096998947e+00 -2.096998947e+00 4.12 -2.052200183e+00 -2.052200183e+00 4.14 -2.007881814e+00 -2.007881814e+00 4.16 -1.964027899e+00 -1.964027899e+00 4.18 -1.920626839e+00 -1.920626839e+00 4.20 -1.877672177e+00 -1.877672177e+00 4.22 -1.835163142e+00 -1.835163142e+00 4.24 -1.793104950e+00 -1.793104950e+00 4.26 -1.751508840e+00 -1.751508840e+00 4.28 -1.710391789e+00 -1.710391789e+00 4.30 -1.669775865e+00 -1.669775865e+00 4.32 -1.629687198e+00 -1.629687198e+00 4.34 -1.590154604e+00 -1.590154604e+00 4.36 -1.551207966e+00 -1.551207966e+00 4.38 -1.512876482e+00 -1.512876482e+00 4.40 -1.475186979e+00 -1.475186979e+00 4.42 -1.438162424e+00 -1.438162424e+00 4.44 -1.401820782e+00 -1.401820782e+00 4.46 -1.366174278e+00 -1.366174278e+00 4.48 -1.331229085e+00 -1.331229085e+00 4.50 -1.296985396e+00 -1.296985396e+00 4.52 -1.263437798e+00 -1.263437798e+00 4.54 -1.230575859e+00 -1.230575859e+00 4.56 -1.198384830e+00 -1.198384830e+00 4.58 -1.166846403e+00 -1.166846403e+00 4.60 -1.135939448e+00 -1.135939448e+00 4.62 -1.105640714e+00 -1.105640714e+00 4.64 -1.075925492e+00 -1.075925492e+00 4.66 -1.046768219e+00 -1.046768219e+00 4.68 -1.018143066e+00 -1.018143066e+00 4.70 -9.900245127e-01 -9.900245127e-01 4.72 -9.623879276e-01 -9.623879276e-01 4.74 -9.352101726e-01 -9.352101726e-01 4.76 -9.084702322e-01 -9.084702322e-01 4.78 -8.821498652e-01 -8.821498652e-01 4.80 -8.562276959e-01 -8.562276959e-01 4.82 -8.307071998e-01 -8.307071998e-01 4.84 -8.055744051e-01 -8.055744051e-01 4.86 -7.808282903e-01 -7.808282903e-01 4.88 -7.564731628e-01 -7.564731628e-01 4.90 -7.325186867e-01 -7.325186867e-01 4.92 -7.089796216e-01 -7.089796216e-01 4.94 -6.858752421e-01 -6.858752421e-01 4.96 -6.632284325e-01 -6.632284325e-01 4.98 -6.410644921e-01 -6.410644921e-01 5.00 -6.194097163e-01 -6.194097163e-01 5.02 -5.982898564e-01 -5.982898564e-01 5.04 -5.777285800e-01 -5.777285800e-01 5.06 -5.577460606e-01 -5.577460606e-01 5.08 -5.383578119e-01 -5.383578119e-01 5.10 -5.195738566e-01 -5.195738566e-01 5.12 -5.013982805e-01 -5.013982805e-01 5.14 -4.838291787e-01 -4.838291787e-01 5.16 -4.668589651e-01 -4.668589651e-01 5.18 -4.504749845e-01 -4.504749845e-01 5.20 -4.346603480e-01 -4.346603480e-01 5.22 -4.193949093e-01 -4.193949093e-01 5.24 -4.046563010e-01 -4.046563010e-01 5.26 -3.904209645e-01 -3.904209645e-01 5.28 -3.766651198e-01 -3.766651198e-01 5.30 -3.633656372e-01 -3.633656372e-01 5.32 -3.505007838e-01 -3.505007838e-01 5.34 -3.380508279e-01 -3.380508279e-01 5.36 -3.259984873e-01 -3.259984873e-01 5.38 -3.143292130e-01 -3.143292130e-01 5.40 -3.030312975e-01 -3.030312975e-01 5.42 -2.920958056e-01 -2.920958056e-01 5.44 -2.815163276e-01 -2.815163276e-01 5.46 -2.712885687e-01 -2.712885687e-01 5.48 -2.614097982e-01 -2.614097982e-01 5.50 -2.518781993e-01 -2.518781993e-01 5.52 -2.426921709e-01 -2.426921709e-01 5.54 -2.338496411e-01 -2.338496411e-01 5.56 -2.253474510e-01 -2.253474510e-01 5.58 -2.171808614e-01 -2.171808614e-01 5.60 -2.093432156e-01 -2.093432156e-01 5.62 -2.018257778e-01 -2.018257778e-01 5.64 -1.946177400e-01 -1.946177400e-01 5.66 -1.877063782e-01 -1.877063782e-01 5.68 -1.810773220e-01 -1.810773220e-01 5.70 -1.747149005e-01 -1.747149005e-01 5.72 -1.686025227e-01 -1.686025227e-01 5.74 -1.627230607e-01 -1.627230607e-01 5.76 -1.570592070e-01 -1.570592070e-01 5.78 -1.515937894e-01 -1.515937894e-01 5.80 -1.463100354e-01 -1.463100354e-01 5.82 -1.411917819e-01 -1.411917819e-01 5.84 -1.362236347e-01 -1.362236347e-01 5.86 -1.313910826e-01 -1.313910826e-01 5.88 -1.266805758e-01 -1.266805758e-01 5.90 -1.220795751e-01 -1.220795751e-01 5.92 -1.175765815e-01 -1.175765815e-01 5.94 -1.131611516e-01 -1.131611516e-01 5.96 -1.088239063e-01 -1.088239063e-01 5.98 -1.045564502e-01 -1.045564502e-01 6.00 -1.003514942e-01 -1.003514942e-01