# 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 = Al2MoNi # 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 1.262440338e+02 1.262440338e+02 1.30 1.169446736e+02 1.169446736e+02 1.32 1.083288678e+02 1.083288678e+02 1.34 1.003388098e+02 1.003388098e+02 1.36 9.292222069e+01 9.292222069e+01 1.38 8.603327922e+01 8.603327922e+01 1.40 7.963195936e+01 7.963195936e+01 1.42 7.368223949e+01 7.368223949e+01 1.44 6.815015096e+01 6.815015096e+01 1.46 6.300265124e+01 6.300265124e+01 1.48 5.820805348e+01 5.820805348e+01 1.50 5.373764833e+01 5.373764833e+01 1.52 4.956703755e+01 4.956703755e+01 1.54 4.567605735e+01 4.567605735e+01 1.56 4.204756182e+01 4.204756182e+01 1.58 3.866603207e+01 3.866603207e+01 1.60 3.551661674e+01 3.551661674e+01 1.62 3.258465106e+01 3.258465106e+01 1.64 2.985711536e+01 2.985711536e+01 1.66 2.732038893e+01 2.732038893e+01 1.68 2.495961001e+01 2.495961001e+01 1.70 2.276054083e+01 2.276054083e+01 1.72 2.071147815e+01 2.071147815e+01 1.74 1.880388711e+01 1.880388711e+01 1.76 1.702756904e+01 1.702756904e+01 1.78 1.537346534e+01 1.537346534e+01 1.80 1.383364387e+01 1.383364387e+01 1.82 1.240118537e+01 1.240118537e+01 1.84 1.107003360e+01 1.107003360e+01 1.86 9.834778458e+00 9.834778458e+00 1.88 8.690392960e+00 8.690392960e+00 1.90 7.631970113e+00 7.631970113e+00 1.92 6.654507084e+00 6.654507084e+00 1.94 5.752777811e+00 5.752777811e+00 1.96 4.921324119e+00 4.921324119e+00 1.98 4.154572024e+00 4.154572024e+00 2.00 3.447041384e+00 3.447041384e+00 2.02 2.793578151e+00 2.793578151e+00 2.04 2.189522956e+00 2.189522956e+00 2.06 1.630759288e+00 1.630759288e+00 2.08 1.113649108e+00 1.113649108e+00 2.10 6.349173589e-01 6.349173589e-01 2.12 1.915528408e-01 1.915528408e-01 2.14 -2.192401116e-01 -2.192401116e-01 2.16 -6.000425435e-01 -6.000425435e-01 2.18 -9.531984366e-01 -9.531984366e-01 2.20 -1.280794023e+00 -1.280794023e+00 2.22 -1.584654133e+00 -1.584654133e+00 2.24 -1.866358190e+00 -1.866358190e+00 2.26 -2.127269572e+00 -2.127269572e+00 2.28 -2.368569725e+00 -2.368569725e+00 2.30 -2.591291079e+00 -2.591291079e+00 2.32 -2.796346248e+00 -2.796346248e+00 2.34 -2.984551530e+00 -2.984551530e+00 2.36 -3.156638113e+00 -3.156638113e+00 2.38 -3.313164992e+00 -3.313164992e+00 2.40 -3.454790753e+00 -3.454790753e+00 2.42 -3.582182945e+00 -3.582182945e+00 2.44 -3.695968312e+00 -3.695968312e+00 2.46 -3.796764398e+00 -3.796764398e+00 2.48 -3.885209149e+00 -3.885209149e+00 2.50 -3.961984877e+00 -3.961984877e+00 2.52 -4.027835284e+00 -4.027835284e+00 2.54 -4.083567614e+00 -4.083567614e+00 2.56 -4.129935855e+00 -4.129935855e+00 2.58 -4.167677543e+00 -4.167677543e+00 2.60 -4.197607467e+00 -4.197607467e+00 2.62 -4.220584748e+00 -4.220584748e+00 2.64 -4.237458718e+00 -4.237458718e+00 2.66 -4.249009595e+00 -4.249009595e+00 2.68 -4.255900340e+00 -4.255900340e+00 2.70 -4.258649223e+00 -4.258649223e+00 2.72 -4.257542548e+00 -4.257542548e+00 2.74 -4.252667249e+00 -4.252667249e+00 2.76 -4.244242267e+00 -4.244242267e+00 2.78 -4.233352413e+00 -4.233352413e+00 2.80 -4.219791687e+00 -4.219791687e+00 2.82 -4.203167566e+00 -4.203167566e+00 2.84 -4.183161380e+00 -4.183161380e+00 2.86 -4.159523409e+00 -4.159523409e+00 2.88 -4.132070003e+00 -4.132070003e+00 2.90 -4.100682739e+00 -4.100682739e+00 2.92 -4.065309104e+00 -4.065309104e+00 2.94 -4.025967215e+00 -4.025967215e+00 2.96 -3.982766967e+00 -3.982766967e+00 2.98 -3.935895861e+00 -3.935895861e+00 3.00 -3.885604462e+00 -3.885604462e+00 3.02 -3.832201209e+00 -3.832201209e+00 3.04 -3.776041908e+00 -3.776041908e+00 3.06 -3.717513383e+00 -3.717513383e+00 3.08 -3.657011832e+00 -3.657011832e+00 3.10 -3.594918425e+00 -3.594918425e+00 3.12 -3.531575771e+00 -3.531575771e+00 3.14 -3.467269435e+00 -3.467269435e+00 3.16 -3.402217366e+00 -3.402217366e+00 3.18 -3.336568614e+00 -3.336568614e+00 3.20 -3.270410198e+00 -3.270410198e+00 3.22 -3.203779846e+00 -3.203779846e+00 3.24 -3.136681839e+00 -3.136681839e+00 3.26 -3.069103510e+00 -3.069103510e+00 3.28 -3.001030686e+00 -3.001030686e+00 3.30 -2.932461070e+00 -2.932461070e+00 3.32 -2.863415100e+00 -2.863415100e+00 3.34 -2.793944037e+00 -2.793944037e+00 3.36 -2.724135172e+00 -2.724135172e+00 3.38 -2.654113973e+00 -2.654113973e+00 3.40 -2.584043081e+00 -2.584043081e+00 3.42 -2.514118158e+00 -2.514118158e+00 3.44 -2.444560768e+00 -2.444560768e+00 3.46 -2.375608884e+00 -2.375608884e+00 3.48 -2.307505779e+00 -2.307505779e+00 3.50 -2.240488395e+00 -2.240488395e+00 3.52 -2.174776286e+00 -2.174776286e+00 3.54 -2.110562188e+00 -2.110562188e+00 3.56 -2.048004996e+00 -2.048004996e+00 3.58 -1.987225549e+00 -1.987225549e+00 3.60 -1.928305302e+00 -1.928305302e+00 3.62 -1.871287569e+00 -1.871287569e+00 3.64 -1.816180852e+00 -1.816180852e+00 3.66 -1.762963628e+00 -1.762963628e+00 3.68 -1.711589985e+00 -1.711589985e+00 3.70 -1.661995571e+00 -1.661995571e+00 3.72 -1.614103426e+00 -1.614103426e+00 3.74 -1.567829389e+00 -1.567829389e+00 3.76 -1.523086860e+00 -1.523086860e+00 3.78 -1.479790760e+00 -1.479790760e+00 3.80 -1.437860572e+00 -1.437860572e+00 3.82 -1.397222361e+00 -1.397222361e+00 3.84 -1.357809730e+00 -1.357809730e+00 3.86 -1.319563701e+00 -1.319563701e+00 3.88 -1.282431624e+00 -1.282431624e+00 3.90 -1.246365322e+00 -1.246365322e+00 3.92 -1.211318795e+00 -1.211318795e+00 3.94 -1.177245891e+00 -1.177245891e+00 3.96 -1.144098235e+00 -1.144098235e+00 3.98 -1.111823842e+00 -1.111823842e+00 4.00 -1.080366492e+00 -1.080366492e+00 4.02 -1.049665908e+00 -1.049665908e+00 4.04 -1.019658659e+00 -1.019658659e+00 4.06 -9.902796106e-01 -9.902796106e-01 4.08 -9.614637384e-01 -9.614637384e-01 4.10 -9.331481479e-01 -9.331481479e-01 4.12 -9.052742879e-01 -9.052742879e-01 4.14 -8.777899649e-01 -8.777899649e-01 4.16 -8.506515220e-01 -8.506515220e-01 4.18 -8.238257610e-01 -8.238257610e-01 4.20 -7.972916381e-01 -7.972916381e-01 4.22 -7.710415608e-01 -7.710415608e-01 4.24 -7.450821137e-01 -7.450821137e-01 4.26 -7.194340393e-01 -7.194340393e-01 4.28 -6.941313366e-01 -6.941313366e-01 4.30 -6.692194244e-01 -6.692194244e-01 4.32 -6.447524291e-01 -6.447524291e-01 4.34 -6.207897860e-01 -6.207897860e-01 4.36 -5.973924546e-01 -5.973924546e-01 4.38 -5.746191074e-01 -5.746191074e-01 4.40 -5.525226467e-01 -5.525226467e-01 4.42 -5.311473309e-01 -5.311473309e-01 4.44 -5.105266743e-01 -5.105266743e-01 4.46 -4.906821553e-01 -4.906821553e-01 4.48 -4.716226628e-01 -4.716226628e-01 4.50 -4.533445503e-01 -4.533445503e-01 4.52 -4.358321532e-01 -4.358321532e-01 4.54 -4.190586475e-01 -4.190586475e-01 4.56 -4.029871644e-01 -4.029871644e-01 4.58 -3.875721037e-01 -3.875721037e-01 4.60 -3.727606343e-01 -3.727606343e-01 4.62 -3.584943009e-01 -3.584943009e-01 4.64 -3.447107322e-01 -3.447107322e-01 4.66 -3.313453903e-01 -3.313453903e-01 4.68 -3.183333712e-01 -3.183333712e-01 4.70 -3.056111412e-01 -3.056111412e-01 4.72 -2.931179106e-01 -2.931179106e-01 4.74 -2.807975326e-01 -2.807975326e-01 4.76 -2.686007933e-01 -2.686007933e-01 4.78 -2.564857789e-01 -2.564857789e-01 4.80 -2.444192704e-01 -2.444192704e-01 4.82 -2.323780443e-01 -2.323780443e-01 4.84 -2.203498298e-01 -2.203498298e-01 4.86 -2.083340995e-01 -2.083340995e-01 4.88 -1.963424271e-01 -1.963424271e-01 4.90 -1.843983959e-01 -1.843983959e-01 4.92 -1.725369637e-01 -1.725369637e-01 4.94 -1.608032290e-01 -1.608032290e-01 4.96 -1.492505942e-01 -1.492505942e-01 4.98 -1.379383813e-01 -1.379383813e-01 5.00 -1.269290254e-01 -1.269290254e-01 5.02 -1.162850311e-01 -1.162850311e-01 5.04 -1.060659181e-01 -1.060659181e-01 5.06 -9.632539539e-02 -9.632539539e-02 5.08 -8.710898164e-02 -8.710898164e-02 5.10 -7.845224063e-02 -7.845224063e-02 5.12 -7.037972649e-02 -7.037972649e-02 5.14 -6.290465657e-02 -6.290465657e-02 5.16 -5.602925466e-02 -5.602925466e-02 5.18 -4.974565088e-02 -4.974565088e-02 5.20 -4.403718938e-02 -4.403718938e-02 5.22 -3.887998570e-02 -3.887998570e-02 5.24 -3.424458849e-02 -3.424458849e-02 5.26 -3.009760263e-02 -3.009760263e-02 5.28 -2.640319560e-02 -2.640319560e-02 5.30 -2.312441017e-02 -2.312441017e-02 5.32 -2.022427848e-02 -2.022427848e-02 5.34 -1.766669836e-02 -1.766669836e-02 5.36 -1.541708561e-02 -1.541708561e-02 5.38 -1.344246784e-02 -1.344246784e-02 5.40 -1.171259644e-02 -1.171259644e-02 5.42 -1.019986525e-02 -1.019986525e-02 5.44 -8.879005208e-03 -8.879005208e-03 5.46 -7.727109173e-03 -7.727109173e-03 5.48 -6.723576125e-03 -6.723576125e-03 5.50 -5.850001254e-03 -5.850001254e-03 5.52 -5.090032253e-03 -5.090032253e-03 5.54 -4.429207185e-03 -4.429207185e-03 5.56 -3.854785106e-03 -3.854785106e-03 5.58 -3.355577333e-03 -3.355577333e-03 5.60 -2.921784689e-03 -2.921784689e-03 5.62 -2.544844100e-03 -2.544844100e-03 5.64 -2.217286511e-03 -2.217286511e-03 5.66 -1.932607027e-03 -1.932607027e-03 5.68 -1.685147487e-03 -1.685147487e-03 5.70 -1.469991167e-03 -1.469991167e-03 5.72 -1.282869003e-03 -1.282869003e-03 5.74 -1.120076555e-03 -1.120076555e-03 5.76 -9.784007913e-04 -9.784007913e-04 5.78 -8.550558077e-04 -8.550558077e-04 5.80 -7.476265415e-04 -7.476265415e-04 5.82 -6.540196298e-04 -6.540196298e-04 5.84 -5.724205900e-04 -5.724205900e-04 5.86 -5.012565756e-04 -5.012565756e-04 5.88 -4.391640286e-04 -4.391640286e-04 5.90 -3.849606173e-04 -3.849606173e-04 5.92 -3.376209140e-04 -3.376209140e-04 5.94 -2.962553293e-04 -2.962553293e-04 5.96 -2.600918789e-04 -2.600918789e-04 5.98 -2.284604062e-04 -2.284604062e-04 6.00 -2.007789364e-04 -2.007789364e-04