# 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 = CoPb2W # 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 4.184004558e+02 4.184004558e+02 1.30 3.900428141e+02 3.900428141e+02 1.32 3.636889473e+02 3.636889473e+02 1.34 3.391807636e+02 3.391807636e+02 1.36 3.163777078e+02 3.163777078e+02 1.38 2.951538307e+02 2.951538307e+02 1.40 2.753949070e+02 2.753949070e+02 1.42 2.569956616e+02 2.569956616e+02 1.44 2.398574872e+02 2.398574872e+02 1.46 2.238872394e+02 2.238872394e+02 1.48 2.089970674e+02 2.089970674e+02 1.50 1.951047366e+02 1.951047366e+02 1.52 1.821340773e+02 1.821340773e+02 1.54 1.700154140e+02 1.700154140e+02 1.56 1.586855817e+02 1.586855817e+02 1.58 1.480874701e+02 1.480874701e+02 1.60 1.381692075e+02 1.381692075e+02 1.62 1.288833378e+02 1.288833378e+02 1.64 1.201861223e+02 1.201861223e+02 1.66 1.120370786e+02 1.120370786e+02 1.68 1.043986583e+02 1.043986583e+02 1.70 9.723603727e+01 9.723603727e+01 1.72 9.051709658e+01 9.051709658e+01 1.74 8.421263768e+01 8.421263768e+01 1.76 7.829703867e+01 7.829703867e+01 1.78 7.274736418e+01 7.274736418e+01 1.80 6.754336013e+01 6.754336013e+01 1.82 6.266941204e+01 6.266941204e+01 1.84 5.812113872e+01 5.812113872e+01 1.86 5.388270562e+01 5.388270562e+01 1.88 4.993572281e+01 4.993572281e+01 1.90 4.626171576e+01 4.626171576e+01 1.92 4.284230768e+01 4.284230768e+01 1.94 3.965958232e+01 3.965958232e+01 1.96 3.669642358e+01 3.669642358e+01 1.98 3.393675324e+01 3.393675324e+01 2.00 3.136560369e+01 3.136560369e+01 2.02 2.896907349e+01 2.896907349e+01 2.04 2.673424037e+01 2.673424037e+01 2.06 2.464909152e+01 2.464909152e+01 2.08 2.270248639e+01 2.270248639e+01 2.10 2.088412612e+01 2.088412612e+01 2.12 1.918453974e+01 1.918453974e+01 2.14 1.759505904e+01 1.759505904e+01 2.16 1.610779659e+01 1.610779659e+01 2.18 1.471561874e+01 1.471561874e+01 2.20 1.341209956e+01 1.341209956e+01 2.22 1.219146214e+01 1.219146214e+01 2.24 1.104850171e+01 1.104850171e+01 2.26 9.978501647e+00 9.978501647e+00 2.28 8.977154127e+00 8.977154127e+00 2.30 8.040483714e+00 8.040483714e+00 2.32 7.164781822e+00 7.164781822e+00 2.34 6.346573811e+00 6.346573811e+00 2.36 5.582638555e+00 5.582638555e+00 2.38 4.869771229e+00 4.869771229e+00 2.40 4.204875516e+00 4.204875516e+00 2.42 3.584999263e+00 3.584999263e+00 2.44 3.007332207e+00 3.007332207e+00 2.46 2.469215153e+00 2.469215153e+00 2.48 1.968152478e+00 1.968152478e+00 2.50 1.501824014e+00 1.501824014e+00 2.52 1.068180287e+00 1.068180287e+00 2.54 6.654953410e-01 6.654953410e-01 2.56 2.921606183e-01 2.921606183e-01 2.58 -5.334654498e-02 -5.334654498e-02 2.60 -3.724742153e-01 -3.724742153e-01 2.62 -6.666067066e-01 -6.666067066e-01 2.64 -9.370791435e-01 -9.370791435e-01 2.66 -1.185175592e+00 -1.185175592e+00 2.68 -1.412150944e+00 -1.412150944e+00 2.70 -1.619236922e+00 -1.619236922e+00 2.72 -1.807543445e+00 -1.807543445e+00 2.74 -1.978136245e+00 -1.978136245e+00 2.76 -2.132042907e+00 -2.132042907e+00 2.78 -2.270250682e+00 -2.270250682e+00 2.80 -2.393705805e+00 -2.393705805e+00 2.82 -2.503312421e+00 -2.503312421e+00 2.84 -2.599910833e+00 -2.599910833e+00 2.86 -2.684219458e+00 -2.684219458e+00 2.88 -2.756915582e+00 -2.756915582e+00 2.90 -2.818661271e+00 -2.818661271e+00 2.92 -2.870108580e+00 -2.870108580e+00 2.94 -2.911905073e+00 -2.911905073e+00 2.96 -2.944698583e+00 -2.944698583e+00 2.98 -2.969140080e+00 -2.969140080e+00 3.00 -2.985883576e+00 -2.985883576e+00 3.02 -2.995582337e+00 -2.995582337e+00 3.04 -2.998880859e+00 -2.998880859e+00 3.06 -2.996406210e+00 -2.996406210e+00 3.08 -2.988753259e+00 -2.988753259e+00 3.10 -2.976475990e+00 -2.976475990e+00 3.12 -2.960077512e+00 -2.960077512e+00 3.14 -2.940012724e+00 -2.940012724e+00 3.16 -2.916677264e+00 -2.916677264e+00 3.18 -2.890416666e+00 -2.890416666e+00 3.20 -2.861526702e+00 -2.861526702e+00 3.22 -2.830255587e+00 -2.830255587e+00 3.24 -2.796806090e+00 -2.796806090e+00 3.26 -2.761338313e+00 -2.761338313e+00 3.28 -2.723986856e+00 -2.723986856e+00 3.30 -2.684939352e+00 -2.684939352e+00 3.32 -2.644155258e+00 -2.644155258e+00 3.34 -2.601551581e+00 -2.601551581e+00 3.36 -2.557070264e+00 -2.557070264e+00 3.38 -2.510688699e+00 -2.510688699e+00 3.40 -2.462426491e+00 -2.462426491e+00 3.42 -2.412309414e+00 -2.412309414e+00 3.44 -2.360381304e+00 -2.360381304e+00 3.46 -2.306758311e+00 -2.306758311e+00 3.48 -2.251626212e+00 -2.251626212e+00 3.50 -2.195231108e+00 -2.195231108e+00 3.52 -2.137865993e+00 -2.137865993e+00 3.54 -2.079854459e+00 -2.079854459e+00 3.56 -2.021533238e+00 -2.021533238e+00 3.58 -1.963235344e+00 -1.963235344e+00 3.60 -1.905275438e+00 -1.905275438e+00 3.62 -1.847938529e+00 -1.847938529e+00 3.64 -1.791472569e+00 -1.791472569e+00 3.66 -1.736084900e+00 -1.736084900e+00 3.68 -1.681941991e+00 -1.681941991e+00 3.70 -1.629171642e+00 -1.629171642e+00 3.72 -1.577866671e+00 -1.577866671e+00 3.74 -1.528089262e+00 -1.528089262e+00 3.76 -1.479875295e+00 -1.479875295e+00 3.78 -1.433238323e+00 -1.433238323e+00 3.80 -1.388173072e+00 -1.388173072e+00 3.82 -1.344658536e+00 -1.344658536e+00 3.84 -1.302660787e+00 -1.302660787e+00 3.86 -1.262135634e+00 -1.262135634e+00 3.88 -1.223031158e+00 -1.223031158e+00 3.90 -1.185290119e+00 -1.185290119e+00 3.92 -1.148851303e+00 -1.148851303e+00 3.94 -1.113654949e+00 -1.113654949e+00 3.96 -1.079638765e+00 -1.079638765e+00 3.98 -1.046743009e+00 -1.046743009e+00 4.00 -1.014910309e+00 -1.014910309e+00 4.02 -9.840862097e-01 -9.840862097e-01 4.04 -9.542194908e-01 -9.542194908e-01 4.06 -9.252623327e-01 -9.252623327e-01 4.08 -8.971703864e-01 -8.971703864e-01 4.10 -8.699004490e-01 -8.699004490e-01 4.12 -8.434203959e-01 -8.434203959e-01 4.14 -8.176936958e-01 -8.176936958e-01 4.16 -7.926904382e-01 -7.926904382e-01 4.18 -7.683845481e-01 -7.683845481e-01 4.20 -7.447538596e-01 -7.447538596e-01 4.22 -7.217800950e-01 -7.217800950e-01 4.24 -6.994486851e-01 -6.994486851e-01 4.26 -6.777483774e-01 -6.777483774e-01 4.28 -6.566706042e-01 -6.566706042e-01 4.30 -6.362086295e-01 -6.362086295e-01 4.32 -6.163565418e-01 -6.163565418e-01 4.34 -5.971082043e-01 -5.971082043e-01 4.36 -5.784562959e-01 -5.784562959e-01 4.38 -5.603915636e-01 -5.603915636e-01 4.40 -5.429023708e-01 -5.429023708e-01 4.42 -5.259745671e-01 -5.259745671e-01 4.44 -5.095916489e-01 -5.095916489e-01 4.46 -4.937351368e-01 -4.937351368e-01 4.48 -4.783850781e-01 -4.783850781e-01 4.50 -4.635205851e-01 -4.635205851e-01 4.52 -4.491203378e-01 -4.491203378e-01 4.54 -4.351630077e-01 -4.351630077e-01 4.56 -4.216275822e-01 -4.216275822e-01 4.58 -4.084935915e-01 -4.084935915e-01 4.60 -3.957412512e-01 -3.957412512e-01 4.62 -3.833515423e-01 -3.833515423e-01 4.64 -3.713062505e-01 -3.713062505e-01 4.66 -3.595879878e-01 -3.595879878e-01 4.68 -3.481802146e-01 -3.481802146e-01 4.70 -3.370672775e-01 -3.370672775e-01 4.72 -3.262344739e-01 -3.262344739e-01 4.74 -3.156681509e-01 -3.156681509e-01 4.76 -3.053558376e-01 -3.053558376e-01 4.78 -2.952864090e-01 -2.952864090e-01 4.80 -2.854487338e-01 -2.854487338e-01 4.82 -2.758382438e-01 -2.758382438e-01 4.84 -2.664471145e-01 -2.664471145e-01 4.86 -2.572713317e-01 -2.572713317e-01 4.88 -2.483088907e-01 -2.483088907e-01 4.90 -2.395597072e-01 -2.395597072e-01 4.92 -2.310253965e-01 -2.310253965e-01 4.94 -2.227089146e-01 -2.227089146e-01 4.96 -2.146140796e-01 -2.146140796e-01 4.98 -2.067450119e-01 -2.067450119e-01 5.00 -1.991055496e-01 -1.991055496e-01 5.02 -1.916987046e-01 -1.916987046e-01 5.04 -1.845262214e-01 -1.845262214e-01 5.06 -1.775882952e-01 -1.775882952e-01 5.08 -1.708834689e-01 -1.708834689e-01 5.10 -1.644087092e-01 -1.644087092e-01 5.12 -1.581596353e-01 -1.581596353e-01 5.14 -1.521308565e-01 -1.521308565e-01 5.16 -1.463163586e-01 -1.463163586e-01 5.18 -1.407098926e-01 -1.407098926e-01 5.20 -1.353053160e-01 -1.353053160e-01 5.22 -1.300968533e-01 -1.300968533e-01 5.24 -1.250792564e-01 -1.250792564e-01 5.26 -1.202478608e-01 -1.202478608e-01 5.28 -1.155985215e-01 -1.155985215e-01 5.30 -1.111268876e-01 -1.111268876e-01 5.32 -1.068295435e-01 -1.068295435e-01 5.34 -1.027034456e-01 -1.027034456e-01 5.36 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