# 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 = AlCuFe2 # 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 1.288103407e+02 1.288103407e+02 1.30 1.179352332e+02 1.179352332e+02 1.32 1.079493709e+02 1.079493709e+02 1.34 9.877066890e+01 9.877066890e+01 1.36 9.032769969e+01 9.032769969e+01 1.38 8.255954665e+01 8.255954665e+01 1.40 7.541344923e+01 7.541344923e+01 1.42 6.884180720e+01 6.884180720e+01 1.44 6.279984606e+01 6.279984606e+01 1.46 5.724464483e+01 5.724464483e+01 1.48 5.213565174e+01 5.213565174e+01 1.50 4.743592447e+01 4.743592447e+01 1.52 4.311282187e+01 4.311282187e+01 1.54 3.913750929e+01 3.913750929e+01 1.56 3.548372665e+01 3.548372665e+01 1.58 3.212666182e+01 3.212666182e+01 1.60 2.904297157e+01 2.904297157e+01 1.62 2.621061110e+01 2.621061110e+01 1.64 2.361046220e+01 2.361046220e+01 1.66 2.122448332e+01 2.122448332e+01 1.68 1.903468555e+01 1.903468555e+01 1.70 1.702452268e+01 1.702452268e+01 1.72 1.517891940e+01 1.517891940e+01 1.74 1.348417835e+01 1.348417835e+01 1.76 1.192782002e+01 1.192782002e+01 1.78 1.049849054e+01 1.049849054e+01 1.80 9.185976914e+00 9.185976914e+00 1.82 7.981234186e+00 7.981234186e+00 1.84 6.876305878e+00 6.876305878e+00 1.86 5.864106708e+00 5.864106708e+00 1.88 4.938127241e+00 4.938127241e+00 1.90 4.092147055e+00 4.092147055e+00 1.92 3.320025808e+00 3.320025808e+00 1.94 2.615616106e+00 2.615616106e+00 1.96 1.972809851e+00 1.972809851e+00 1.98 1.385688234e+00 1.385688234e+00 2.00 8.487140357e-01 8.487140357e-01 2.02 3.569027457e-01 3.569027457e-01 2.04 -9.407222007e-02 -9.407222007e-02 2.06 -5.078601765e-01 -5.078601765e-01 2.08 -8.874934624e-01 -8.874934624e-01 2.10 -1.235499757e+00 -1.235499757e+00 2.12 -1.554031618e+00 -1.554031618e+00 2.14 -1.844985146e+00 -1.844985146e+00 2.16 -2.110092001e+00 -2.110092001e+00 2.18 -2.350980347e+00 -2.350980347e+00 2.20 -2.569208370e+00 -2.569208370e+00 2.22 -2.766278711e+00 -2.766278711e+00 2.24 -2.943642776e+00 -2.943642776e+00 2.26 -3.102701230e+00 -3.102701230e+00 2.28 -3.244802481e+00 -3.244802481e+00 2.30 -3.371236894e+00 -3.371236894e+00 2.32 -3.483223386e+00 -3.483223386e+00 2.34 -3.581887763e+00 -3.581887763e+00 2.36 -3.668238760e+00 -3.668238760e+00 2.38 -3.743152275e+00 -3.743152275e+00 2.40 -3.807373317e+00 -3.807373317e+00 2.42 -3.861537915e+00 -3.861537915e+00 2.44 -3.906208871e+00 -3.906208871e+00 2.46 -3.941914947e+00 -3.941914947e+00 2.48 -3.969185939e+00 -3.969185939e+00 2.50 -3.988576930e+00 -3.988576930e+00 2.52 -4.001246590e+00 -4.001246590e+00 2.54 -4.008331575e+00 -4.008331575e+00 2.56 -4.009813234e+00 -4.009813234e+00 2.58 -4.005824185e+00 -4.005824185e+00 2.60 -3.996629881e+00 -3.996629881e+00 2.62 -3.982585664e+00 -3.982585664e+00 2.64 -3.964050457e+00 -3.964050457e+00 2.66 -3.941136839e+00 -3.941136839e+00 2.68 -3.913930950e+00 -3.913930950e+00 2.70 -3.882580093e+00 -3.882580093e+00 2.72 -3.847241833e+00 -3.847241833e+00 2.74 -3.808076849e+00 -3.808076849e+00 2.76 -3.765247195e+00 -3.765247195e+00 2.78 -3.718916687e+00 -3.718916687e+00 2.80 -3.669252547e+00 -3.669252547e+00 2.82 -3.616427669e+00 -3.616427669e+00 2.84 -3.560622743e+00 -3.560622743e+00 2.86 -3.502027052e+00 -3.502027052e+00 2.88 -3.440837202e+00 -3.440837202e+00 2.90 -3.377253898e+00 -3.377253898e+00 2.92 -3.311477928e+00 -3.311477928e+00 2.94 -3.243707000e+00 -3.243707000e+00 2.96 -3.174134926e+00 -3.174134926e+00 2.98 -3.102953725e+00 -3.102953725e+00 3.00 -3.030357992e+00 -3.030357992e+00 3.02 -2.956549788e+00 -2.956549788e+00 3.04 -2.881741793e+00 -2.881741793e+00 3.06 -2.806156935e+00 -2.806156935e+00 3.08 -2.730023866e+00 -2.730023866e+00 3.10 -2.653569656e+00 -2.653569656e+00 3.12 -2.577012179e+00 -2.577012179e+00 3.14 -2.500555171e+00 -2.500555171e+00 3.16 -2.424387848e+00 -2.424387848e+00 3.18 -2.348689459e+00 -2.348689459e+00 3.20 -2.273637168e+00 -2.273637168e+00 3.22 -2.199414727e+00 -2.199414727e+00 3.24 -2.126219186e+00 -2.126219186e+00 3.26 -2.054263531e+00 -2.054263531e+00 3.28 -1.983774248e+00 -1.983774248e+00 3.30 -1.914983966e+00 -1.914983966e+00 3.32 -1.848120413e+00 -1.848120413e+00 3.34 -1.783393520e+00 -1.783393520e+00 3.36 -1.720982816e+00 -1.720982816e+00 3.38 -1.661026984e+00 -1.661026984e+00 3.40 -1.603616975e+00 -1.603616975e+00 3.42 -1.548793299e+00 -1.548793299e+00 3.44 -1.496547390e+00 -1.496547390e+00 3.46 -1.446826384e+00 -1.446826384e+00 3.48 -1.399540272e+00 -1.399540272e+00 3.50 -1.354570295e+00 -1.354570295e+00 3.52 -1.311777578e+00 -1.311777578e+00 3.54 -1.271011209e+00 -1.271011209e+00 3.56 -1.232115272e+00 -1.232115272e+00 3.58 -1.194934589e+00 -1.194934589e+00 3.60 -1.159319157e+00 -1.159319157e+00 3.62 -1.125127386e+00 -1.125127386e+00 3.64 -1.092228351e+00 -1.092228351e+00 3.66 -1.060503271e+00 -1.060503271e+00 3.68 -1.029846414e+00 -1.029846414e+00 3.70 -1.000165601e+00 -1.000165601e+00 3.72 -9.713823890e-01 -9.713823890e-01 3.74 -9.434319679e-01 -9.434319679e-01 3.76 -9.162627375e-01 -9.162627375e-01 3.78 -8.898354887e-01 -8.898354887e-01 3.80 -8.641221051e-01 -8.641221051e-01 3.82 -8.391037369e-01 -8.391037369e-01 3.84 -8.147684691e-01 -8.147684691e-01 3.86 -7.911086082e-01 -7.911086082e-01 3.88 -7.681178096e-01 -7.681178096e-01 3.90 -7.457883349e-01 -7.457883349e-01 3.92 -7.241087278e-01 -7.241087278e-01 3.94 -7.030621723e-01 -7.030621723e-01 3.96 -6.826256000e-01 -6.826256000e-01 3.98 -6.627696088e-01 -6.627696088e-01 4.00 -6.434590316e-01 -6.434590316e-01 4.02 -6.246540279e-01 -6.246540279e-01 4.04 -6.063114673e-01 -6.063114673e-01 4.06 -5.883862448e-01 -5.883862448e-01 4.08 -5.708330407e-01 -5.708330407e-01 4.10 -5.536081358e-01 -5.536081358e-01 4.12 -5.366701998e-01 -5.366701998e-01 4.14 -5.199815677e-01 -5.199815677e-01 4.16 -5.035095369e-01 -5.035095369e-01 4.18 -4.872274939e-01 -4.872274939e-01 4.20 -4.711159319e-01 -4.711159319e-01 4.22 -4.551632990e-01 -4.551632990e-01 4.24 -4.393666090e-01 -4.393666090e-01 4.26 -4.237317286e-01 -4.237317286e-01 4.28 -4.082732590e-01 -4.082732590e-01 4.30 -3.930139548e-01 -3.930139548e-01 4.32 -3.779836624e-01 -3.779836624e-01 4.34 -3.632178103e-01 -3.632178103e-01 4.36 -3.487555367e-01 -3.487555367e-01 4.38 -3.346375762e-01 -3.346375762e-01 4.40 -3.209040485e-01 -3.209040485e-01 4.42 -3.075922955e-01 -3.075922955e-01 4.44 -2.947348964e-01 -2.947348964e-01 4.46 -2.823579715e-01 -2.823579715e-01 4.48 -2.704798611e-01 -2.704798611e-01 4.50 -2.591102391e-01 -2.591102391e-01 4.52 -2.482496971e-01 -2.482496971e-01 4.54 -2.378898024e-01 -2.378898024e-01 4.56 -2.280136005e-01 -2.280136005e-01 4.58 -2.185965049e-01 -2.185965049e-01 4.60 -2.096074833e-01 -2.096074833e-01 4.62 -2.010103309e-01 -2.010103309e-01 4.64 -1.927653009e-01 -1.927653009e-01 4.66 -1.848307771e-01 -1.848307771e-01 4.68 -1.771643826e-01 -1.771643826e-01 4.70 -1.697243295e-01 -1.697243295e-01 4.72 -1.624706344e-01 -1.624706344e-01 4.74 -1.553661958e-01 -1.553661958e-01 4.76 -1.483777467e-01 -1.483777467e-01 4.78 -1.414766968e-01 -1.414766968e-01 4.80 -1.346398642e-01 -1.346398642e-01 4.82 -1.278501296e-01 -1.278501296e-01 4.84 -1.210969034e-01 -1.210969034e-01 4.86 -1.143764960e-01 -1.143764960e-01 4.88 -1.076922526e-01 -1.076922526e-01 4.90 -1.010544429e-01 -1.010544429e-01 4.92 -9.447985681e-02 -9.447985681e-02 4.94 -8.799107643e-02 -8.799107643e-02 4.96 -8.161542514e-02 -8.161542514e-02 4.98 -7.538362525e-02 -7.538362525e-02 5.00 -6.932823371e-02 -6.932823371e-02 5.02 -6.348195747e-02 -6.348195747e-02 5.04 -5.787597197e-02 -5.787597197e-02 5.06 -5.253837191e-02 -5.253837191e-02 5.08 -4.749287192e-02 -4.749287192e-02 5.10 -4.275784628e-02 -4.275784628e-02 5.12 -3.834575800e-02 -3.834575800e-02 5.14 -3.426298448e-02 -3.426298448e-02 5.16 -3.051000833e-02 -3.051000833e-02 5.18 -2.708190598e-02 -2.708190598e-02 5.20 -2.396905671e-02 -2.396905671e-02 5.22 -2.115798995e-02 -2.115798995e-02 5.24 -1.863228067e-02 -1.863228067e-02 5.26 -1.637339382e-02 -1.637339382e-02 5.28 -1.436093801e-02 -1.436093801e-02 5.30 -1.257482273e-02 -1.257482273e-02 5.32 -1.099516033e-02 -1.099516033e-02 5.34 -9.602380648e-03 -9.602380648e-03 5.36 -8.377652950e-03 -8.377652950e-03 5.38 -7.303180098e-03 -7.303180098e-03 5.40 -6.362385757e-03 -6.362385757e-03 5.42 -5.540015540e-03 -5.540015540e-03 5.44 -4.822171612e-03 -4.822171612e-03 5.46 -4.196297919e-03 -4.196297919e-03 5.48 -3.651130466e-03 -3.651130466e-03 5.50 -3.176624385e-03 -3.176624385e-03 5.52 -2.763866948e-03 -2.763866948e-03 5.54 -2.404983536e-03 -2.404983536e-03 5.56 -2.093041668e-03 -2.093041668e-03 5.58 -1.821956741e-03 -1.821956741e-03 5.60 -1.586401908e-03 -1.586401908e-03 5.62 -1.381723638e-03 -1.381723638e-03 5.64 -1.203863824e-03 -1.203863824e-03 5.66 -1.049288776e-03 -1.049288776e-03 5.68 -9.149251513e-04 -9.149251513e-04 5.70 -7.981025699e-04 -7.981025699e-04 5.72 -6.965025652e-04 -6.965025652e-04 5.74 -6.081134070e-04 -6.081134070e-04 5.76 -5.311902958e-04 -5.311902958e-04 5.78 -4.642204196e-04 -4.642204196e-04 5.80 -4.058923706e-04 -4.058923706e-04 5.82 -3.550694466e-04 -3.550694466e-04 5.84 -3.107663909e-04 -3.107663909e-04 5.86 -2.721291630e-04 -2.721291630e-04 5.88 -2.384173707e-04 -2.384173707e-04 5.90 -2.089890294e-04 -2.089890294e-04 5.92 -1.832873543e-04 -1.832873543e-04 5.94 -1.608293207e-04 -1.608293207e-04 5.96 -1.411957628e-04 -1.411957628e-04 5.98 -1.240228064e-04 -1.240228064e-04 6.00 -1.089944589e-04 -1.089944589e-04