# 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 = AlMg2W # 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 3.567920233e+02 3.567920233e+02 1.30 3.307898660e+02 3.307898660e+02 1.32 3.067325874e+02 3.067325874e+02 1.34 2.844679951e+02 2.844679951e+02 1.36 2.638557048e+02 2.638557048e+02 1.38 2.447661348e+02 2.447661348e+02 1.40 2.270793001e+02 2.270793001e+02 1.42 2.106836630e+02 2.106836630e+02 1.44 1.954753621e+02 1.954753621e+02 1.46 1.813580373e+02 1.813580373e+02 1.48 1.682434251e+02 1.682434251e+02 1.50 1.560522803e+02 1.560522803e+02 1.52 1.447146137e+02 1.447146137e+02 1.54 1.341687308e+02 1.341687308e+02 1.56 1.243595958e+02 1.243595958e+02 1.58 1.152372514e+02 1.152372514e+02 1.60 1.067555869e+02 1.067555869e+02 1.62 9.887141831e+01 9.887141831e+01 1.64 9.154385932e+01 9.154385932e+01 1.66 8.473446572e+01 8.473446572e+01 1.68 7.840668126e+01 7.840668126e+01 1.70 7.252597176e+01 7.252597176e+01 1.72 6.706040204e+01 6.706040204e+01 1.74 6.198090547e+01 6.198090547e+01 1.76 5.726177212e+01 5.726177212e+01 1.78 5.287741262e+01 5.287741262e+01 1.80 4.880362629e+01 4.880362629e+01 1.82 4.501767846e+01 4.501767846e+01 1.84 4.149843165e+01 4.149843165e+01 1.86 3.822649338e+01 3.822649338e+01 1.88 3.518424185e+01 3.518424185e+01 1.90 3.235567819e+01 3.235567819e+01 1.92 2.972614251e+01 2.972614251e+01 1.94 2.728200733e+01 2.728200733e+01 1.96 2.501046248e+01 2.501046248e+01 1.98 2.289943998e+01 2.289943998e+01 2.00 2.093763848e+01 2.093763848e+01 2.02 1.911456472e+01 1.911456472e+01 2.04 1.742052512e+01 1.742052512e+01 2.06 1.584654289e+01 1.584654289e+01 2.08 1.438422652e+01 1.438422652e+01 2.10 1.302564775e+01 1.302564775e+01 2.12 1.176327445e+01 1.176327445e+01 2.14 1.058997339e+01 1.058997339e+01 2.16 9.499063460e+00 9.499063460e+00 2.18 8.484380058e+00 8.484380058e+00 2.20 7.540320710e+00 7.540320710e+00 2.22 6.661873013e+00 6.661873013e+00 2.24 5.844632842e+00 5.844632842e+00 2.26 5.084461397e+00 5.084461397e+00 2.28 4.377642507e+00 4.377642507e+00 2.30 3.720845793e+00 3.720845793e+00 2.32 3.111048573e+00 3.111048573e+00 2.34 2.545476361e+00 2.545476361e+00 2.36 2.021555207e+00 2.021555207e+00 2.38 1.537019866e+00 1.537019866e+00 2.40 1.089875123e+00 1.089875123e+00 2.42 6.781558025e-01 6.781558025e-01 2.44 2.999144968e-01 2.999144968e-01 2.46 -4.677983256e-02 -4.677983256e-02 2.48 -3.638418503e-01 -3.638418503e-01 2.50 -6.531665872e-01 -6.531665872e-01 2.52 -9.166218077e-01 -9.166218077e-01 2.54 -1.156036932e+00 -1.156036932e+00 2.56 -1.373190111e+00 -1.373190111e+00 2.58 -1.569794092e+00 -1.569794092e+00 2.60 -1.747479822e+00 -1.747479822e+00 2.62 -1.907776191e+00 -1.907776191e+00 2.64 -2.052089246e+00 -2.052089246e+00 2.66 -2.181680734e+00 -2.181680734e+00 2.68 -2.297660058e+00 -2.297660058e+00 2.70 -2.400988002e+00 -2.400988002e+00 2.72 -2.493078226e+00 -2.493078226e+00 2.74 -2.575002249e+00 -2.575002249e+00 2.76 -2.647017645e+00 -2.647017645e+00 2.78 -2.709376760e+00 -2.709376760e+00 2.80 -2.762334671e+00 -2.762334671e+00 2.82 -2.806150741e+00 -2.806150741e+00 2.84 -2.841091536e+00 -2.841091536e+00 2.86 -2.867450179e+00 -2.867450179e+00 2.88 -2.885557612e+00 -2.885557612e+00 2.90 -2.895759426e+00 -2.895759426e+00 2.92 -2.898421825e+00 -2.898421825e+00 2.94 -2.893941946e+00 -2.893941946e+00 2.96 -2.882758748e+00 -2.882758748e+00 2.98 -2.865362493e+00 -2.865362493e+00 3.00 -2.842300367e+00 -2.842300367e+00 3.02 -2.814175668e+00 -2.814175668e+00 3.04 -2.781638291e+00 -2.781638291e+00 3.06 -2.745367430e+00 -2.745367430e+00 3.08 -2.706043604e+00 -2.706043604e+00 3.10 -2.664319495e+00 -2.664319495e+00 3.12 -2.620789526e+00 -2.620789526e+00 3.14 -2.575968370e+00 -2.575968370e+00 3.16 -2.530274014e+00 -2.530274014e+00 3.18 -2.484027515e+00 -2.484027515e+00 3.20 -2.437459736e+00 -2.437459736e+00 3.22 -2.390725760e+00 -2.390725760e+00 3.24 -2.343922882e+00 -2.343922882e+00 3.26 -2.297108993e+00 -2.297108993e+00 3.28 -2.250319011e+00 -2.250319011e+00 3.30 -2.203578020e+00 -2.203578020e+00 3.32 -2.156910708e+00 -2.156910708e+00 3.34 -2.110348358e+00 -2.110348358e+00 3.36 -2.063983700e+00 -2.063983700e+00 3.38 -2.017831852e+00 -2.017831852e+00 3.40 -1.971876022e+00 -1.971876022e+00 3.42 -1.926126706e+00 -1.926126706e+00 3.44 -1.880621459e+00 -1.880621459e+00 3.46 -1.835422355e+00 -1.835422355e+00 3.48 -1.790522919e+00 -1.790522919e+00 3.50 -1.745819572e+00 -1.745819572e+00 3.52 -1.701271942e+00 -1.701271942e+00 3.54 -1.656906806e+00 -1.656906806e+00 3.56 -1.612803528e+00 -1.612803528e+00 3.58 -1.569077728e+00 -1.569077728e+00 3.60 -1.525864866e+00 -1.525864866e+00 3.62 -1.483305317e+00 -1.483305317e+00 3.64 -1.441532075e+00 -1.441532075e+00 3.66 -1.400661714e+00 -1.400661714e+00 3.68 -1.360788718e+00 -1.360788718e+00 3.70 -1.321982903e+00 -1.321982903e+00 3.72 -1.284289359e+00 -1.284289359e+00 3.74 -1.247730256e+00 -1.247730256e+00 3.76 -1.212307820e+00 -1.212307820e+00 3.78 -1.178007908e+00 -1.178007908e+00 3.80 -1.144803688e+00 -1.144803688e+00 3.82 -1.112659063e+00 -1.112659063e+00 3.84 -1.081531620e+00 -1.081531620e+00 3.86 -1.051374976e+00 -1.051374976e+00 3.88 -1.022140498e+00 -1.022140498e+00 3.90 -9.937784496e-01 -9.937784496e-01 3.92 -9.662385256e-01 -9.662385256e-01 3.94 -9.394710563e-01 -9.394710563e-01 3.96 -9.134260635e-01 -9.134260635e-01 3.98 -8.880544075e-01 -8.880544075e-01 4.00 -8.633078818e-01 -8.633078818e-01 4.02 -8.391396228e-01 -8.391396228e-01 4.04 -8.155046008e-01 -8.155046008e-01 4.06 -7.923601833e-01 -7.923601833e-01 4.08 -7.696667598e-01 -7.696667598e-01 4.10 -7.473877401e-01 -7.473877401e-01 4.12 -7.254932028e-01 -7.254932028e-01 4.14 -7.039561185e-01 -7.039561185e-01 4.16 -6.827564286e-01 -6.827564286e-01 4.18 -6.618809987e-01 -6.618809987e-01 4.20 -6.413243307e-01 -6.413243307e-01 4.22 -6.210890535e-01 -6.210890535e-01 4.24 -6.011860633e-01 -6.011860633e-01 4.26 -5.816341833e-01 -5.816341833e-01 4.28 -5.624592503e-01 -5.624592503e-01 4.30 -5.436925935e-01 -5.436925935e-01 4.32 -5.253689585e-01 -5.253689585e-01 4.34 -5.075240215e-01 -5.075240215e-01 4.36 -4.901917184e-01 -4.901917184e-01 4.38 -4.734016618e-01 -4.734016618e-01 4.40 -4.571769149e-01 -4.571769149e-01 4.42 -4.415323395e-01 -4.415323395e-01 4.44 -4.264736490e-01 -4.264736490e-01 4.46 -4.119971891e-01 -4.119971891e-01 4.48 -3.980903742e-01 -3.980903742e-01 4.50 -3.847326383e-01 -3.847326383e-01 4.52 -3.718967217e-01 -3.718967217e-01 4.54 -3.595501191e-01 -3.595501191e-01 4.56 -3.476565380e-01 -3.476565380e-01 4.58 -3.361772576e-01 -3.361772576e-01 4.60 -3.250723254e-01 -3.250723254e-01 4.62 -3.143015642e-01 -3.143015642e-01 4.64 -3.038253985e-01 -3.038253985e-01 4.66 -2.936055254e-01 -2.936055254e-01 4.68 -2.836054713e-01 -2.836054713e-01 4.70 -2.737910736e-01 -2.737910736e-01 4.72 -2.641309286e-01 -2.641309286e-01 4.74 -2.545968360e-01 -2.545968360e-01 4.76 -2.451642610e-01 -2.451642610e-01 4.78 -2.358128226e-01 -2.358128226e-01 4.80 -2.265264200e-01 -2.265264200e-01 4.82 -2.172953206e-01 -2.172953206e-01 4.84 -2.081141345e-01 -2.081141345e-01 4.86 -1.989839249e-01 -1.989839249e-01 4.88 -1.899119644e-01 -1.899119644e-01 4.90 -1.809117335e-01 -1.809117335e-01 4.92 -1.720026455e-01 -1.720026455e-01 4.94 -1.632094552e-01 -1.632094552e-01 4.96 -1.545613400e-01 -1.545613400e-01 4.98 -1.460906731e-01 -1.460906731e-01 5.00 -1.378315491e-01 -1.378315491e-01 5.02 -1.298181596e-01 -1.298181596e-01 5.04 -1.220831384e-01 -1.220831384e-01 5.06 -1.146560082e-01 -1.146560082e-01 5.08 -1.075618540e-01 -1.075618540e-01 5.10 -1.008203184e-01 -1.008203184e-01 5.12 -9.444498131e-02 -9.444498131e-02 5.14 -8.844314002e-02 -8.844314002e-02 5.16 -8.281596381e-02 -8.281596381e-02 5.18 -7.755896600e-02 -7.755896600e-02 5.20 -7.266271920e-02 -7.266271920e-02 5.22 -6.811371351e-02 -6.811371351e-02 5.24 -6.389526753e-02 -6.389526753e-02 5.26 -5.998847581e-02 -5.998847581e-02 5.28 -5.637307407e-02 -5.637307407e-02 5.30 -5.302820550e-02 -5.302820550e-02 5.32 -4.993294907e-02 -4.993294907e-02 5.34 -4.706586391e-02 -4.706586391e-02 5.36 -4.440814864e-02 -4.440814864e-02 5.38 -4.194243556e-02 -4.194243556e-02 5.40 -3.965247404e-02 -3.965247404e-02 5.42 -3.752330214e-02 -3.752330214e-02 5.44 -3.554131101e-02 -3.554131101e-02 5.46 -3.369422715e-02 -3.369422715e-02 5.48 -3.197103489e-02 -3.197103489e-02 5.50 -3.036185956e-02 -3.036185956e-02 5.52 -2.885782901e-02 -2.885782901e-02 5.54 -2.745092913e-02 -2.745092913e-02 5.56 -2.613386540e-02 -2.613386540e-02 5.58 -2.489993960e-02 -2.489993960e-02 5.60 -2.374294709e-02 -2.374294709e-02 5.62 -2.265709684e-02 -2.265709684e-02 5.64 -2.163695345e-02 -2.163695345e-02 5.66 -2.067739839e-02 -2.067739839e-02 5.68 -1.977360632e-02 -1.977360632e-02 5.70 -1.892103200e-02 -1.892103200e-02 5.72 -1.811540371e-02 -1.811540371e-02 5.74 -1.735271886e-02 -1.735271886e-02 5.76 -1.662920693e-02 -1.662920693e-02 5.78 -1.594137909e-02 -1.594137909e-02 5.80 -1.528602385e-02 -1.528602385e-02 5.82 -1.466017281e-02 -1.466017281e-02 5.84 -1.406108936e-02 -1.406108936e-02 5.86 -1.348625590e-02 -1.348625590e-02 5.88 -1.293336040e-02 -1.293336040e-02 5.90 -1.240028316e-02 -1.240028316e-02 5.92 -1.188508428e-02 -1.188508428e-02 5.94 -1.138599263e-02 -1.138599263e-02 5.96 -1.090139676e-02 -1.090139676e-02 5.98 -1.042983811e-02 -1.042983811e-02 6.00 -9.970006771e-03 -9.970006771e-03