# 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 = MgPb2Pd # 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 3.967746009e+02 3.967746009e+02 1.30 3.698561236e+02 3.698561236e+02 1.32 3.448425520e+02 3.448425520e+02 1.34 3.215839322e+02 3.215839322e+02 1.36 2.999424418e+02 2.999424418e+02 1.38 2.797918597e+02 2.797918597e+02 1.40 2.610174563e+02 2.610174563e+02 1.42 2.435156063e+02 2.435156063e+02 1.44 2.271925276e+02 2.271925276e+02 1.46 2.119625120e+02 2.119625120e+02 1.48 1.977464922e+02 1.977464922e+02 1.50 1.844712825e+02 1.844712825e+02 1.52 1.720691787e+02 1.720691787e+02 1.54 1.604776839e+02 1.604776839e+02 1.56 1.496392215e+02 1.496392215e+02 1.58 1.395008645e+02 1.395008645e+02 1.60 1.300140051e+02 1.300140051e+02 1.62 1.211339504e+02 1.211339504e+02 1.64 1.128194546e+02 1.128194546e+02 1.66 1.050323551e+02 1.050323551e+02 1.68 9.774098975e+01 9.774098975e+01 1.70 9.093700915e+01 9.093700915e+01 1.72 8.459189102e+01 8.459189102e+01 1.74 7.867379628e+01 7.867379628e+01 1.76 7.315301007e+01 7.315301007e+01 1.78 6.800182835e+01 6.800182835e+01 1.80 6.319446634e+01 6.319446634e+01 1.82 5.870695973e+01 5.870695973e+01 1.84 5.451708983e+01 5.451708983e+01 1.86 5.060432765e+01 5.060432765e+01 1.88 4.694979556e+01 4.694979556e+01 1.90 4.353618459e+01 4.353618459e+01 1.92 4.034759612e+01 4.034759612e+01 1.94 3.736935378e+01 3.736935378e+01 1.96 3.458780961e+01 3.458780961e+01 1.98 3.199020078e+01 3.199020078e+01 2.00 2.956455405e+01 2.956455405e+01 2.02 2.729962651e+01 2.729962651e+01 2.04 2.518486630e+01 2.518486630e+01 2.06 2.321038968e+01 2.321038968e+01 2.08 2.136697212e+01 2.136697212e+01 2.10 1.964603387e+01 1.964603387e+01 2.12 1.803962345e+01 1.803962345e+01 2.14 1.654037730e+01 1.654037730e+01 2.16 1.514146771e+01 1.514146771e+01 2.18 1.383654570e+01 1.383654570e+01 2.20 1.261968478e+01 1.261968478e+01 2.22 1.148533753e+01 1.148533753e+01 2.24 1.042830290e+01 1.042830290e+01 2.26 9.443703107e+00 9.443703107e+00 2.28 8.526966241e+00 8.526966241e+00 2.30 7.673804996e+00 7.673804996e+00 2.32 6.880189164e+00 6.880189164e+00 2.34 6.142326090e+00 6.142326090e+00 2.36 5.456628575e+00 5.456628575e+00 2.38 4.819696118e+00 4.819696118e+00 2.40 4.228304089e+00 4.228304089e+00 2.42 3.679403169e+00 3.679403169e+00 2.44 3.170126196e+00 3.170126196e+00 2.46 2.697796329e+00 2.697796329e+00 2.48 2.259930630e+00 2.259930630e+00 2.50 1.854235702e+00 1.854235702e+00 2.52 1.478595915e+00 1.478595915e+00 2.54 1.131057559e+00 1.131057559e+00 2.56 8.098125755e-01 8.098125755e-01 2.58 5.131839406e-01 5.131839406e-01 2.60 2.396129004e-01 2.396129004e-01 2.62 -1.235155514e-02 -1.235155514e-02 2.64 -2.440683561e-01 -2.440683561e-01 2.66 -4.568070576e-01 -4.568070576e-01 2.68 -6.518099402e-01 -6.518099402e-01 2.70 -8.304692407e-01 -8.304692407e-01 2.72 -9.937649177e-01 -9.937649177e-01 2.74 -1.142574506e+00 -1.142574506e+00 2.76 -1.277742378e+00 -1.277742378e+00 2.78 -1.400078449e+00 -1.400078449e+00 2.80 -1.510360094e+00 -1.510360094e+00 2.82 -1.609330535e+00 -1.609330535e+00 2.84 -1.697703406e+00 -1.697703406e+00 2.86 -1.776170387e+00 -1.776170387e+00 2.88 -1.845429327e+00 -1.845429327e+00 2.90 -1.906161672e+00 -1.906161672e+00 2.92 -1.959017853e+00 -1.959017853e+00 2.94 -2.004615471e+00 -2.004615471e+00 2.96 -2.043535685e+00 -2.043535685e+00 2.98 -2.076319275e+00 -2.076319275e+00 3.00 -2.103463998e+00 -2.103463998e+00 3.02 -2.125424410e+00 -2.125424410e+00 3.04 -2.142613693e+00 -2.142613693e+00 3.06 -2.155412124e+00 -2.155412124e+00 3.08 -2.164167726e+00 -2.164167726e+00 3.10 -2.169206572e+00 -2.169206572e+00 3.12 -2.170835946e+00 -2.170835946e+00 3.14 -2.169353819e+00 -2.169353819e+00 3.16 -2.165098465e+00 -2.165098465e+00 3.18 -2.158333007e+00 -2.158333007e+00 3.20 -2.149253432e+00 -2.149253432e+00 3.22 -2.138054533e+00 -2.138054533e+00 3.24 -2.124924315e+00 -2.124924315e+00 3.26 -2.110039496e+00 -2.110039496e+00 3.28 -2.093562711e+00 -2.093562711e+00 3.30 -2.075641559e+00 -2.075641559e+00 3.32 -2.056408130e+00 -2.056408130e+00 3.34 -2.035969159e+00 -2.035969159e+00 3.36 -2.014421582e+00 -2.014421582e+00 3.38 -1.991855826e+00 -1.991855826e+00 3.40 -1.968338629e+00 -1.968338629e+00 3.42 -1.943937593e+00 -1.943937593e+00 3.44 -1.918719167e+00 -1.918719167e+00 3.46 -1.892749843e+00 -1.892749843e+00 3.48 -1.866095331e+00 -1.866095331e+00 3.50 -1.838820104e+00 -1.838820104e+00 3.52 -1.810986981e+00 -1.810986981e+00 3.54 -1.782656204e+00 -1.782656204e+00 3.56 -1.753874314e+00 -1.753874314e+00 3.58 -1.724676430e+00 -1.724676430e+00 3.60 -1.695099699e+00 -1.695099699e+00 3.62 -1.665183632e+00 -1.665183632e+00 3.64 -1.634970158e+00 -1.634970158e+00 3.66 -1.604503739e+00 -1.604503739e+00 3.68 -1.573831436e+00 -1.573831436e+00 3.70 -1.543002751e+00 -1.543002751e+00 3.72 -1.512069151e+00 -1.512069151e+00 3.74 -1.481083223e+00 -1.481083223e+00 3.76 -1.450097499e+00 -1.450097499e+00 3.78 -1.419163090e+00 -1.419163090e+00 3.80 -1.388328313e+00 -1.388328313e+00 3.82 -1.357637523e+00 -1.357637523e+00 3.84 -1.327130304e+00 -1.327130304e+00 3.86 -1.296841096e+00 -1.296841096e+00 3.88 -1.266799252e+00 -1.266799252e+00 3.90 -1.237029444e+00 -1.237029444e+00 3.92 -1.207551493e+00 -1.207551493e+00 3.94 -1.178384630e+00 -1.178384630e+00 3.96 -1.149542912e+00 -1.149542912e+00 3.98 -1.121039935e+00 -1.121039935e+00 4.00 -1.092888655e+00 -1.092888655e+00 4.02 -1.065102148e+00 -1.065102148e+00 4.04 -1.037694250e+00 -1.037694250e+00 4.06 -1.010679990e+00 -1.010679990e+00 4.08 -9.840757939e-01 -9.840757939e-01 4.10 -9.578972316e-01 -9.578972316e-01 4.12 -9.321676337e-01 -9.321676337e-01 4.14 -9.069032135e-01 -9.069032135e-01 4.16 -8.821221024e-01 -8.821221024e-01 4.18 -8.578406826e-01 -8.578406826e-01 4.20 -8.340725701e-01 -8.340725701e-01 4.22 -8.108277460e-01 -8.108277460e-01 4.24 -7.881119437e-01 -7.881119437e-01 4.26 -7.659263565e-01 -7.659263565e-01 4.28 -7.442676724e-01 -7.442676724e-01 4.30 -7.231283997e-01 -7.231283997e-01 4.32 -7.024974110e-01 -7.024974110e-01 4.34 -6.823606181e-01 -6.823606181e-01 4.36 -6.627016949e-01 -6.627016949e-01 4.38 -6.435027810e-01 -6.435027810e-01 4.40 -6.247451187e-01 -6.247451187e-01 4.42 -6.064096010e-01 -6.064096010e-01 4.44 -5.884772275e-01 -5.884772275e-01 4.46 -5.709294776e-01 -5.709294776e-01 4.48 -5.537486222e-01 -5.537486222e-01 4.50 -5.369179957e-01 -5.369179957e-01 4.52 -5.204222513e-01 -5.204222513e-01 4.54 -5.042476180e-01 -5.042476180e-01 4.56 -4.883821691e-01 -4.883821691e-01 4.58 -4.728161055e-01 -4.728161055e-01 4.60 -4.575420436e-01 -4.575420436e-01 4.62 -4.425552898e-01 -4.425552898e-01 4.64 -4.278540709e-01 -4.278540709e-01 4.66 -4.134396836e-01 -4.134396836e-01 4.68 -3.993165206e-01 -3.993165206e-01 4.70 -3.854919369e-01 -3.854919369e-01 4.72 -3.719759244e-01 -3.719759244e-01 4.74 -3.587805845e-01 -3.587805845e-01 4.76 -3.459194095e-01 -3.459194095e-01 4.78 -3.334064108e-01 -3.334064108e-01 4.80 -3.212534768e-01 -3.212534768e-01 4.82 -3.094763854e-01 -3.094763854e-01 4.84 -2.980829848e-01 -2.980829848e-01 4.86 -2.870800721e-01 -2.870800721e-01 4.88 -2.764708781e-01 -2.764708781e-01 4.90 -2.662548100e-01 -2.662548100e-01 4.92 -2.564274551e-01 -2.564274551e-01 4.94 -2.469808243e-01 -2.469808243e-01 4.96 -2.379037891e-01 -2.379037891e-01 4.98 -2.291826561e-01 -2.291826561e-01 5.00 -2.208018183e-01 -2.208018183e-01 5.02 -2.127444276e-01 -2.127444276e-01 5.04 -2.049930449e-01 -2.049930449e-01 5.06 -1.975302325e-01 -1.975302325e-01 5.08 -1.903390679e-01 -1.903390679e-01 5.10 -1.834035685e-01 -1.834035685e-01 5.12 -1.767090208e-01 -1.767090208e-01 5.14 -1.702422161e-01 -1.702422161e-01 5.16 -1.639915957e-01 -1.639915957e-01 5.18 -1.579473104e-01 -1.579473104e-01 5.20 -1.521011954e-01 -1.521011954e-01 5.22 -1.464466761e-01 -1.464466761e-01 5.24 -1.409786062e-01 -1.409786062e-01 5.26 -1.356930493e-01 -1.356930493e-01 5.28 -1.305870193e-01 -1.305870193e-01 5.30 -1.256581935e-01 -1.256581935e-01 5.32 -1.209046195e-01 -1.209046195e-01 5.34 -1.163244277e-01 -1.163244277e-01 5.36 -1.119155758e-01 -1.119155758e-01 5.38 -1.076756336e-01 -1.076756336e-01 5.40 -1.036016215e-01 -1.036016215e-01 5.42 -9.968990530e-02 -9.968990530e-02 5.44 -9.593614776e-02 -9.593614776e-02 5.46 -9.233531111e-02 -9.233531111e-02 5.48 -8.888170202e-02 -8.888170202e-02 5.50 -8.556904858e-02 -8.556904858e-02 5.52 -8.239057580e-02 -8.239057580e-02 5.54 -7.933888193e-02 -7.933888193e-02 5.56 -7.640661942e-02 -7.640661942e-02 5.58 -7.358637638e-02 -7.358637638e-02 5.60 -7.087066669e-02 -7.087066669e-02 5.62 -6.825203252e-02 -6.825203252e-02 5.64 -6.572313451e-02 -6.572313451e-02 5.66 -6.327682949e-02 -6.327682949e-02 5.68 -6.090623662e-02 -6.090623662e-02 5.70 -5.860479326e-02 -5.860479326e-02 5.72 -5.636630197e-02 -5.636630197e-02 5.74 -5.418497075e-02 -5.418497075e-02 5.76 -5.205544809e-02 -5.205544809e-02 5.78 -4.997285482e-02 -4.997285482e-02 5.80 -4.793281295e-02 -4.793281295e-02 5.82 -4.593147411e-02 -4.593147411e-02 5.84 -4.396554724e-02 -4.396554724e-02 5.86 -4.203232490e-02 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