# 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 = Ag2AlCu # 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 1.554633100e+02 1.554633100e+02 1.30 1.438544850e+02 1.438544850e+02 1.32 1.331183387e+02 1.331183387e+02 1.34 1.231845483e+02 1.231845483e+02 1.36 1.139885069e+02 1.139885069e+02 1.38 1.054718728e+02 1.054718728e+02 1.40 9.758184220e+01 9.758184220e+01 1.42 9.026978126e+01 9.026978126e+01 1.44 8.348993963e+01 8.348993963e+01 1.46 7.719891998e+01 7.719891998e+01 1.48 7.135628743e+01 7.135628743e+01 1.50 6.592573838e+01 6.592573838e+01 1.52 6.087564357e+01 6.087564357e+01 1.54 5.617843016e+01 5.617843016e+01 1.56 5.180935405e+01 5.180935405e+01 1.58 4.774582554e+01 4.774582554e+01 1.60 4.396894250e+01 4.396894250e+01 1.62 4.045953293e+01 4.045953293e+01 1.64 3.720025086e+01 3.720025086e+01 1.66 3.417338876e+01 3.417338876e+01 1.68 3.136231722e+01 3.136231722e+01 1.70 2.875156574e+01 2.875156574e+01 1.72 2.632684443e+01 2.632684443e+01 1.74 2.407496466e+01 2.407496466e+01 1.76 2.198366003e+01 2.198366003e+01 1.78 2.004144864e+01 2.004144864e+01 1.80 1.823763662e+01 1.823763662e+01 1.82 1.656241145e+01 1.656241145e+01 1.84 1.500688834e+01 1.500688834e+01 1.86 1.356302428e+01 1.356302428e+01 1.88 1.222341913e+01 1.222341913e+01 1.90 1.098108403e+01 1.098108403e+01 1.92 9.829263170e+00 9.829263170e+00 1.94 8.761370688e+00 8.761370688e+00 1.96 7.771058310e+00 7.771058310e+00 1.98 6.852368399e+00 6.852368399e+00 2.00 5.999887374e+00 5.999887374e+00 2.02 5.208826668e+00 5.208826668e+00 2.04 4.475004761e+00 4.475004761e+00 2.06 3.794747517e+00 3.794747517e+00 2.08 3.164748686e+00 3.164748686e+00 2.10 2.581936832e+00 2.581936832e+00 2.12 2.043380903e+00 2.043380903e+00 2.14 1.546244074e+00 1.546244074e+00 2.16 1.087777788e+00 1.087777788e+00 2.18 6.653406881e-01 6.653406881e-01 2.20 2.764270791e-01 2.764270791e-01 2.22 -8.130794115e-02 -8.130794115e-02 2.24 -4.100353530e-01 -4.100353530e-01 2.26 -7.117540025e-01 -7.117540025e-01 2.28 -9.883040932e-01 -9.883040932e-01 2.30 -1.241384782e+00 -1.241384782e+00 2.32 -1.472567933e+00 -1.472567933e+00 2.34 -1.683303320e+00 -1.683303320e+00 2.36 -1.874917510e+00 -1.874917510e+00 2.38 -2.048613781e+00 -2.048613781e+00 2.40 -2.205481101e+00 -2.205481101e+00 2.42 -2.346515144e+00 -2.346515144e+00 2.44 -2.472647711e+00 -2.472647711e+00 2.46 -2.584777092e+00 -2.584777092e+00 2.48 -2.683792272e+00 -2.683792272e+00 2.50 -2.770587435e+00 -2.770587435e+00 2.52 -2.846067537e+00 -2.846067537e+00 2.54 -2.911148675e+00 -2.911148675e+00 2.56 -2.966756727e+00 -2.966756727e+00 2.58 -3.013863537e+00 -3.013863537e+00 2.60 -3.054256397e+00 -3.054256397e+00 2.62 -3.088746135e+00 -3.088746135e+00 2.64 -3.117672414e+00 -3.117672414e+00 2.66 -3.141399188e+00 -3.141399188e+00 2.68 -3.160275323e+00 -3.160275323e+00 2.70 -3.174608512e+00 -3.174608512e+00 2.72 -3.184654636e+00 -3.184654636e+00 2.74 -3.190691859e+00 -3.190691859e+00 2.76 -3.193015159e+00 -3.193015159e+00 2.78 -3.191633721e+00 -3.191633721e+00 2.80 -3.186550154e+00 -3.186550154e+00 2.82 -3.177774545e+00 -3.177774545e+00 2.84 -3.165325155e+00 -3.165325155e+00 2.86 -3.149230928e+00 -3.149230928e+00 2.88 -3.129535407e+00 -3.129535407e+00 2.90 -3.106301519e+00 -3.106301519e+00 2.92 -3.079618466e+00 -3.079618466e+00 2.94 -3.049615089e+00 -3.049615089e+00 2.96 -3.016458568e+00 -3.016458568e+00 2.98 -2.980356006e+00 -2.980356006e+00 3.00 -2.941559105e+00 -2.941559105e+00 3.02 -2.900365484e+00 -2.900365484e+00 3.04 -2.857114651e+00 -2.857114651e+00 3.06 -2.812177321e+00 -2.812177321e+00 3.08 -2.765938096e+00 -2.765938096e+00 3.10 -2.718773801e+00 -2.718773801e+00 3.12 -2.671031179e+00 -2.671031179e+00 3.14 -2.623008339e+00 -2.623008339e+00 3.16 -2.574943163e+00 -2.574943163e+00 3.18 -2.527010115e+00 -2.527010115e+00 3.20 -2.479324523e+00 -2.479324523e+00 3.22 -2.431952088e+00 -2.431952088e+00 3.24 -2.384920918e+00 -2.384920918e+00 3.26 -2.338233763e+00 -2.338233763e+00 3.28 -2.291878881e+00 -2.291878881e+00 3.30 -2.245838801e+00 -2.245838801e+00 3.32 -2.200096776e+00 -2.200096776e+00 3.34 -2.154641129e+00 -2.154641129e+00 3.36 -2.109467772e+00 -2.109467772e+00 3.38 -2.064581274e+00 -2.064581274e+00 3.40 -2.019994790e+00 -2.019994790e+00 3.42 -1.975729167e+00 -1.975729167e+00 3.44 -1.931811461e+00 -1.931811461e+00 3.46 -1.888273151e+00 -1.888273151e+00 3.48 -1.845148215e+00 -1.845148215e+00 3.50 -1.802471251e+00 -1.802471251e+00 3.52 -1.760275771e+00 -1.760275771e+00 3.54 -1.718592767e+00 -1.718592767e+00 3.56 -1.677449579e+00 -1.677449579e+00 3.58 -1.636869120e+00 -1.636869120e+00 3.60 -1.596869433e+00 -1.596869433e+00 3.62 -1.557463602e+00 -1.557463602e+00 3.64 -1.518659972e+00 -1.518659972e+00 3.66 -1.480462672e+00 -1.480462672e+00 3.68 -1.442872401e+00 -1.442872401e+00 3.70 -1.405887435e+00 -1.405887435e+00 3.72 -1.369504766e+00 -1.369504766e+00 3.74 -1.333721288e+00 -1.333721288e+00 3.76 -1.298534887e+00 -1.298534887e+00 3.78 -1.263945280e+00 -1.263945280e+00 3.80 -1.229954468e+00 -1.229954468e+00 3.82 -1.196566664e+00 -1.196566664e+00 3.84 -1.163787678e+00 -1.163787678e+00 3.86 -1.131623787e+00 -1.131623787e+00 3.88 -1.100080260e+00 -1.100080260e+00 3.90 -1.069159763e+00 -1.069159763e+00 3.92 -1.038860893e+00 -1.038860893e+00 3.94 -1.009177099e+00 -1.009177099e+00 3.96 -9.800960637e-01 -9.800960637e-01 3.98 -9.515996826e-01 -9.515996826e-01 4.00 -9.236645222e-01 -9.236645222e-01 4.02 -8.962626779e-01 -8.962626779e-01 4.04 -8.693628993e-01 -8.693628993e-01 4.06 -8.429318707e-01 -8.429318707e-01 4.08 -8.169355677e-01 -8.169355677e-01 4.10 -7.913406382e-01 -7.913406382e-01 4.12 -7.661158622e-01 -7.661158622e-01 4.14 -7.412335147e-01 -7.412335147e-01 4.16 -7.166708592e-01 -7.166708592e-01 4.18 -6.924115553e-01 -6.924115553e-01 4.20 -6.684469862e-01 -6.684469862e-01 4.22 -6.447773899e-01 -6.447773899e-01 4.24 -6.214126594e-01 -6.214126594e-01 4.26 -5.983726661e-01 -5.983726661e-01 4.28 -5.756869770e-01 -5.756869770e-01 4.30 -5.533938790e-01 -5.533938790e-01 4.32 -5.315387010e-01 -5.315387010e-01 4.34 -5.101715079e-01 -5.101715079e-01 4.36 -4.893443323e-01 -4.893443323e-01 4.38 -4.691081739e-01 -4.691081739e-01 4.40 -4.495100248e-01 -4.495100248e-01 4.42 -4.305901709e-01 -4.305901709e-01 4.44 -4.123799693e-01 -4.123799693e-01 4.46 -3.949002368e-01 -3.949002368e-01 4.48 -3.781603084e-01 -3.781603084e-01 4.50 -3.621577634e-01 -3.621577634e-01 4.52 -3.468787616e-01 -3.468787616e-01 4.54 -3.322988998e-01 -3.322988998e-01 4.56 -3.183844759e-01 -3.183844759e-01 4.58 -3.050940404e-01 -3.050940404e-01 4.60 -2.923801127e-01 -2.923801127e-01 4.62 -2.801909550e-01 -2.801909550e-01 4.64 -2.684723114e-01 -2.684723114e-01 4.66 -2.571690469e-01 -2.571690469e-01 4.68 -2.462266473e-01 -2.462266473e-01 4.70 -2.355925647e-01 -2.355925647e-01 4.72 -2.252174145e-01 -2.252174145e-01 4.74 -2.150560418e-01 -2.150560418e-01 4.76 -2.050684777e-01 -2.050684777e-01 4.78 -1.952208050e-01 -1.952208050e-01 4.80 -1.854859307e-01 -1.854859307e-01 4.82 -1.758442981e-01 -1.758442981e-01 4.84 -1.662844042e-01 -1.662844042e-01 4.86 -1.568032199e-01 -1.568032199e-01 4.88 -1.474063424e-01 -1.474063424e-01 4.90 -1.381078600e-01 -1.381078600e-01 4.92 -1.289298624e-01 -1.289298624e-01 4.94 -1.199015560e-01 -1.199015560e-01 4.96 -1.110579764e-01 -1.110579764e-01 4.98 -1.024383295e-01 -1.024383295e-01 5.00 -9.408404385e-02 -9.408404385e-02 5.02 -8.603665602e-02 -8.603665602e-02 5.04 -7.833567892e-02 -7.833567892e-02 5.06 -7.101661522e-02 -7.101661522e-02 5.08 -6.410927326e-02 -6.410927326e-02 5.10 -5.763649946e-02 -5.763649946e-02 5.12 -5.161340444e-02 -5.161340444e-02 5.14 -4.604710829e-02 -4.604710829e-02 5.16 -4.093695835e-02 -4.093695835e-02 5.18 -3.627514705e-02 -3.627514705e-02 5.20 -3.204749166e-02 -3.204749166e-02 5.22 -2.823457483e-02 -2.823457483e-02 5.24 -2.481353882e-02 -2.481353882e-02 5.26 -2.175866300e-02 -2.175866300e-02 5.28 -1.904206542e-02 -1.904206542e-02 5.30 -1.663569253e-02 -1.663569253e-02 5.32 -1.451168355e-02 -1.451168355e-02 5.34 -1.264276936e-02 -1.264276936e-02 5.36 -1.100281211e-02 -1.100281211e-02 5.38 -9.567181196e-03 -9.567181196e-03 5.40 -8.312990340e-03 -8.312990340e-03 5.42 -7.219222201e-03 -7.219222201e-03 5.44 -6.266765191e-03 -6.266765191e-03 5.46 -5.438384897e-03 -5.438384897e-03 5.48 -4.718649082e-03 -4.718649082e-03 5.50 -4.093821858e-03 -4.093821858e-03 5.52 -3.551739368e-03 -3.551739368e-03 5.54 -3.081676400e-03 -3.081676400e-03 5.56 -2.674210918e-03 -2.674210918e-03 5.58 -2.321091419e-03 -2.321091419e-03 5.60 -2.015110457e-03 -2.015110457e-03 5.62 -1.749986417e-03 -1.749986417e-03 5.64 -1.520254667e-03 -1.520254667e-03 5.66 -1.321168571e-03 -1.321168571e-03 5.68 -1.148610321e-03 -1.148610321e-03 5.70 -9.990112773e-04 -9.990112773e-04 5.72 -8.692812381e-04 -8.692812381e-04 5.74 -7.567459930e-04 -7.567459930e-04 5.76 -6.590924280e-04 -6.590924280e-04 5.78 -5.743204496e-04 -5.743204496e-04 5.80 -5.007010112e-04 -5.007010112e-04 5.82 -4.367395601e-04 -4.367395601e-04 5.84 -3.811442742e-04 -3.811442742e-04 5.86 -3.327985083e-04 -3.327985083e-04 5.88 -2.907369267e-04 -2.907369267e-04 5.90 -2.541248540e-04 -2.541248540e-04 5.92 -2.222404264e-04 -2.222404264e-04 5.94 -1.944591742e-04 -1.944591742e-04 5.96 -1.702407145e-04 -1.702407145e-04 5.98 -1.491172677e-04 -1.491172677e-04 6.00 -1.306837519e-04 -1.306837519e-04