# 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 = AlCo2Cu # 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 1.056444891e+02 1.056444891e+02 1.30 9.714696387e+01 9.714696387e+01 1.32 8.931361148e+01 8.931361148e+01 1.34 8.208835060e+01 8.208835060e+01 1.36 7.542050534e+01 7.542050534e+01 1.38 6.926533691e+01 6.926533691e+01 1.40 6.358301384e+01 6.358301384e+01 1.42 5.833689090e+01 5.833689090e+01 1.44 5.349184716e+01 5.349184716e+01 1.46 4.901367451e+01 4.901367451e+01 1.48 4.487004226e+01 4.487004226e+01 1.50 4.103209167e+01 4.103209167e+01 1.52 3.747513844e+01 3.747513844e+01 1.54 3.417808064e+01 3.417808064e+01 1.56 3.112228292e+01 3.112228292e+01 1.58 2.829140618e+01 2.829140618e+01 1.60 2.567091333e+01 2.567091333e+01 1.62 2.324614813e+01 2.324614813e+01 1.64 2.100486458e+01 2.100486458e+01 1.66 1.893393296e+01 1.893393296e+01 1.68 1.702066944e+01 1.702066944e+01 1.70 1.525329636e+01 1.525329636e+01 1.72 1.362102949e+01 1.362102949e+01 1.74 1.211395337e+01 1.211395337e+01 1.76 1.072279915e+01 1.072279915e+01 1.78 9.438854088e+00 9.438854088e+00 1.80 8.254066779e+00 8.254066779e+00 1.82 7.161198622e+00 7.161198622e+00 1.84 6.153845233e+00 6.153845233e+00 1.86 5.226284988e+00 5.226284988e+00 1.88 4.373227287e+00 4.373227287e+00 1.90 3.589559082e+00 3.589559082e+00 1.92 2.870172350e+00 2.870172350e+00 1.94 2.209930593e+00 2.209930593e+00 1.96 1.603782948e+00 1.603782948e+00 1.98 1.046966673e+00 1.046966673e+00 2.00 5.352026755e-01 5.352026755e-01 2.02 6.480823278e-02 6.480823278e-02 2.04 -3.673034693e-01 -3.673034693e-01 2.06 -7.637226697e-01 -7.637226697e-01 2.08 -1.126693727e+00 -1.126693727e+00 2.10 -1.458261309e+00 -1.458261309e+00 2.12 -1.760374590e+00 -1.760374590e+00 2.14 -2.034938777e+00 -2.034938777e+00 2.16 -2.283821973e+00 -2.283821973e+00 2.18 -2.508833894e+00 -2.508833894e+00 2.20 -2.711695440e+00 -2.711695440e+00 2.22 -2.894015822e+00 -2.894015822e+00 2.24 -3.057286232e+00 -3.057286232e+00 2.26 -3.202889222e+00 -3.202889222e+00 2.28 -3.332116028e+00 -3.332116028e+00 2.30 -3.446181706e+00 -3.446181706e+00 2.32 -3.546230014e+00 -3.546230014e+00 2.34 -3.633325030e+00 -3.633325030e+00 2.36 -3.708434648e+00 -3.708434648e+00 2.38 -3.772452465e+00 -3.772452465e+00 2.40 -3.826182685e+00 -3.826182685e+00 2.42 -3.870190862e+00 -3.870190862e+00 2.44 -3.904997859e+00 -3.904997859e+00 2.46 -3.931119692e+00 -3.931119692e+00 2.48 -3.949091147e+00 -3.949091147e+00 2.50 -3.959479411e+00 -3.959479411e+00 2.52 -3.962889087e+00 -3.962889087e+00 2.54 -3.959950242e+00 -3.959950242e+00 2.56 -3.951685658e+00 -3.951685658e+00 2.58 -3.939298552e+00 -3.939298552e+00 2.60 -3.922821342e+00 -3.922821342e+00 2.62 -3.902399836e+00 -3.902399836e+00 2.64 -3.878280375e+00 -3.878280375e+00 2.66 -3.850750767e+00 -3.850750767e+00 2.68 -3.820091958e+00 -3.820091958e+00 2.70 -3.786548946e+00 -3.786548946e+00 2.72 -3.750338732e+00 -3.750338732e+00 2.74 -3.711666955e+00 -3.711666955e+00 2.76 -3.670695160e+00 -3.670695160e+00 2.78 -3.627545473e+00 -3.627545473e+00 2.80 -3.582309027e+00 -3.582309027e+00 2.82 -3.535053004e+00 -3.535053004e+00 2.84 -3.485827627e+00 -3.485827627e+00 2.86 -3.434673717e+00 -3.434673717e+00 2.88 -3.381630939e+00 -3.381630939e+00 2.90 -3.326746544e+00 -3.326746544e+00 2.92 -3.270084546e+00 -3.270084546e+00 2.94 -3.211735246e+00 -3.211735246e+00 2.96 -3.151824768e+00 -3.151824768e+00 2.98 -3.090523582e+00 -3.090523582e+00 3.00 -3.028052062e+00 -3.028052062e+00 3.02 -2.964680526e+00 -2.964680526e+00 3.04 -2.900721426e+00 -2.900721426e+00 3.06 -2.836513015e+00 -2.836513015e+00 3.08 -2.772396226e+00 -2.772396226e+00 3.10 -2.708689267e+00 -2.708689267e+00 3.12 -2.645665260e+00 -2.645665260e+00 3.14 -2.583537519e+00 -2.583537519e+00 3.16 -2.522454346e+00 -2.522454346e+00 3.18 -2.462502747e+00 -2.462502747e+00 3.20 -2.403718306e+00 -2.403718306e+00 3.22 -2.346098043e+00 -2.346098043e+00 3.24 -2.289613456e+00 -2.289613456e+00 3.26 -2.234221935e+00 -2.234221935e+00 3.28 -2.179875689e+00 -2.179875689e+00 3.30 -2.126528046e+00 -2.126528046e+00 3.32 -2.074137443e+00 -2.074137443e+00 3.34 -2.022669541e+00 -2.022669541e+00 3.36 -1.972097969e+00 -1.972097969e+00 3.38 -1.922404104e+00 -1.922404104e+00 3.40 -1.873576207e+00 -1.873576207e+00 3.42 -1.825608199e+00 -1.825608199e+00 3.44 -1.778498196e+00 -1.778498196e+00 3.46 -1.732247013e+00 -1.732247013e+00 3.48 -1.686856682e+00 -1.686856682e+00 3.50 -1.642329095e+00 -1.642329095e+00 3.52 -1.598664819e+00 -1.598664819e+00 3.54 -1.555862135e+00 -1.555862135e+00 3.56 -1.513916348e+00 -1.513916348e+00 3.58 -1.472819376e+00 -1.472819376e+00 3.60 -1.432559663e+00 -1.432559663e+00 3.62 -1.393122414e+00 -1.393122414e+00 3.64 -1.354490158e+00 -1.354490158e+00 3.66 -1.316643623e+00 -1.316643623e+00 3.68 -1.279562874e+00 -1.279562874e+00 3.70 -1.243228645e+00 -1.243228645e+00 3.72 -1.207623742e+00 -1.207623742e+00 3.74 -1.172734363e+00 -1.172734363e+00 3.76 -1.138551157e+00 -1.138551157e+00 3.78 -1.105069846e+00 -1.105069846e+00 3.80 -1.072291226e+00 -1.072291226e+00 3.82 -1.040220494e+00 -1.040220494e+00 3.84 -1.008865875e+00 -1.008865875e+00 3.86 -9.782366898e-01 -9.782366898e-01 3.88 -9.483411057e-01 -9.483411057e-01 3.90 -9.191838535e-01 -9.191838535e-01 3.92 -8.907642439e-01 -8.907642439e-01 3.94 -8.630747465e-01 -8.630747465e-01 3.96 -8.361002402e-01 -8.361002402e-01 3.98 -8.098180258e-01 -8.098180258e-01 4.00 -7.841984693e-01 -7.841984693e-01 4.02 -7.592061479e-01 -7.592061479e-01 4.04 -7.348013286e-01 -7.348013286e-01 4.06 -7.109416291e-01 -7.109416291e-01 4.08 -6.875837588e-01 -6.875837588e-01 4.10 -6.646852684e-01 -6.646852684e-01 4.12 -6.422063374e-01 -6.422063374e-01 4.14 -6.201114481e-01 -6.201114481e-01 4.16 -5.983711100e-01 -5.983711100e-01 4.18 -5.769634352e-01 -5.769634352e-01 4.20 -5.558755284e-01 -5.558755284e-01 4.22 -5.351045440e-01 -5.351045440e-01 4.24 -5.146582467e-01 -5.146582467e-01 4.26 -4.945549178e-01 -4.945549178e-01 4.28 -4.748224987e-01 -4.748224987e-01 4.30 -4.554969468e-01 -4.554969468e-01 4.32 -4.366198965e-01 -4.366198965e-01 4.34 -4.182358293e-01 -4.182358293e-01 4.36 -4.003890349e-01 -4.003890349e-01 4.38 -3.831206750e-01 -3.831206750e-01 4.40 -3.664662171e-01 -3.664662171e-01 4.42 -3.504534266e-01 -3.504534266e-01 4.44 -3.351010004e-01 -3.351010004e-01 4.46 -3.204178346e-01 -3.204178346e-01 4.48 -3.064028571e-01 -3.064028571e-01 4.50 -2.930453260e-01 -2.930453260e-01 4.52 -2.803254969e-01 -2.803254969e-01 4.54 -2.682155677e-01 -2.682155677e-01 4.56 -2.566808249e-01 -2.566808249e-01 4.58 -2.456809260e-01 -2.456809260e-01 4.60 -2.351712540e-01 -2.351712540e-01 4.62 -2.251042912e-01 -2.251042912e-01 4.64 -2.154309646e-01 -2.154309646e-01 4.66 -2.061019282e-01 -2.061019282e-01 4.68 -1.970687625e-01 -1.970687625e-01 4.70 -1.882850877e-01 -1.882850877e-01 4.72 -1.797075952e-01 -1.797075952e-01 4.74 -1.712970149e-01 -1.712970149e-01 4.76 -1.630190270e-01 -1.630190270e-01 4.78 -1.548451272e-01 -1.548451272e-01 4.80 -1.467534263e-01 -1.467534263e-01 4.82 -1.387293906e-01 -1.387293906e-01 4.84 -1.307663822e-01 -1.307663822e-01 4.86 -1.228660483e-01 -1.228660483e-01 4.88 -1.150383887e-01 -1.150383887e-01 4.90 -1.073014547e-01 -1.073014547e-01 4.92 -9.968061246e-02 -9.968061246e-02 4.94 -9.220734759e-02 -9.220734759e-02 4.96 -8.491763835e-02 -8.491763835e-02 4.98 -7.784997828e-02 -7.784997828e-02 5.00 -7.104319912e-02 -7.104319912e-02 5.02 -6.453427212e-02 -6.453427212e-02 5.04 -5.835627296e-02 -5.835627296e-02 5.06 -5.253668842e-02 -5.253668842e-02 5.08 -4.709599830e-02 -4.709599830e-02 5.10 -4.204718159e-02 -4.204718159e-02 5.12 -3.739606266e-02 -3.739606266e-02 5.14 -3.314106770e-02 -3.314106770e-02 5.16 -2.927396284e-02 -2.927396284e-02 5.18 -2.578087418e-02 -2.578087418e-02 5.20 -2.264344527e-02 -2.264344527e-02 5.22 -1.984002406e-02 -1.984002406e-02 5.24 -1.734679092e-02 -1.734679092e-02 5.26 -1.513875434e-02 -1.513875434e-02 5.28 -1.319037138e-02 -1.319037138e-02 5.30 -1.147685327e-02 -1.147685327e-02 5.32 -9.974402617e-03 -9.974402617e-03 5.34 -8.660439783e-03 -8.660439783e-03 5.36 -7.513880132e-03 -7.513880132e-03 5.38 -6.515293617e-03 -6.515293617e-03 5.40 -5.646971388e-03 -5.646971388e-03 5.42 -4.892922123e-03 -4.892922123e-03 5.44 -4.238817721e-03 -4.238817721e-03 5.46 -3.671904679e-03 -3.671904679e-03 5.48 -3.180894163e-03 -3.180894163e-03 5.50 -2.755840787e-03 -2.755840787e-03 5.52 -2.388017540e-03 -2.388017540e-03 5.54 -2.069792163e-03 -2.069792163e-03 5.56 -1.794508591e-03 -1.794508591e-03 5.58 -1.556375738e-03 -1.556375738e-03 5.60 -1.350364926e-03 -1.350364926e-03 5.62 -1.172116538e-03 -1.172116538e-03 5.64 -1.017855958e-03 -1.017855958e-03 5.66 -8.843185100e-04 -8.843185100e-04 5.68 -7.686829102e-04 -7.686829102e-04 5.70 -6.685125988e-04 -6.685125988e-04 5.72 -5.817042592e-04 -5.817042592e-04 5.74 -5.064428245e-04 -5.064428245e-04 5.76 -4.411622784e-04 -4.411622784e-04 5.78 -3.845115956e-04 -3.845115956e-04 5.80 -3.353252138e-04 -3.353252138e-04 5.82 -2.925974791e-04 -2.925974791e-04 5.84 -2.554605638e-04 -2.554605638e-04 5.86 -2.231654063e-04 -2.231654063e-04 5.88 -1.950652751e-04 -1.950652751e-04 5.90 -1.706016068e-04 -1.706016068e-04 5.92 -1.492918084e-04 -1.492918084e-04 5.94 -1.307187572e-04 -1.307187572e-04 5.96 -1.145217633e-04 -1.145217633e-04 5.98 -1.003887924e-04 -1.003887924e-04 6.00 -8.804977371e-05 -8.804977371e-05