# 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 = AlMoPd2 # 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 2.551355205e+02 2.551355205e+02 1.30 2.368816706e+02 2.368816706e+02 1.32 2.199258184e+02 2.199258184e+02 1.34 2.041692228e+02 2.041692228e+02 1.36 1.895245715e+02 1.895245715e+02 1.38 1.759121349e+02 1.759121349e+02 1.40 1.632568378e+02 1.632568378e+02 1.42 1.514868247e+02 1.514868247e+02 1.44 1.405337533e+02 1.405337533e+02 1.46 1.303341845e+02 1.303341845e+02 1.48 1.208305168e+02 1.208305168e+02 1.50 1.119705131e+02 1.119705131e+02 1.52 1.037060504e+02 1.037060504e+02 1.54 9.599225266e+01 9.599225266e+01 1.56 8.878729805e+01 8.878729805e+01 1.58 8.205247689e+01 8.205247689e+01 1.60 7.575221080e+01 7.575221080e+01 1.62 6.985407659e+01 6.985407659e+01 1.64 6.432888434e+01 6.432888434e+01 1.66 5.915067137e+01 5.915067137e+01 1.68 5.429642930e+01 5.429642930e+01 1.70 4.974706746e+01 4.974706746e+01 1.72 4.549527268e+01 4.549527268e+01 1.74 4.154928607e+01 4.154928607e+01 1.76 3.789194874e+01 3.789194874e+01 1.78 3.450448113e+01 3.450448113e+01 1.80 3.136938523e+01 3.136938523e+01 1.82 2.847042923e+01 2.847042923e+01 1.84 2.579228111e+01 2.579228111e+01 1.86 2.332014823e+01 2.332014823e+01 1.88 2.103954906e+01 2.103954906e+01 1.90 1.893628470e+01 1.893628470e+01 1.92 1.699660317e+01 1.699660317e+01 1.94 1.520747461e+01 1.520747461e+01 1.96 1.355685332e+01 1.355685332e+01 1.98 1.203381735e+01 1.203381735e+01 2.00 1.062854080e+01 1.062854080e+01 2.02 9.332133688e+00 9.332133688e+00 2.04 8.136433136e+00 8.136433136e+00 2.06 7.033823886e+00 7.033823886e+00 2.08 6.017127156e+00 6.017127156e+00 2.10 5.079559689e+00 5.079559689e+00 2.12 4.214746372e+00 4.214746372e+00 2.14 3.416763667e+00 3.416763667e+00 2.16 2.680189794e+00 2.680189794e+00 2.18 2.000140754e+00 2.000140754e+00 2.20 1.372278845e+00 1.372278845e+00 2.22 7.927899540e-01 7.927899540e-01 2.24 2.583344378e-01 2.583344378e-01 2.26 -2.340184947e-01 -2.340184947e-01 2.28 -6.868621467e-01 -6.868621467e-01 2.30 -1.102521034e+00 -1.102521034e+00 2.32 -1.483112601e+00 -1.483112601e+00 2.34 -1.830600496e+00 -1.830600496e+00 2.36 -2.146839650e+00 -2.146839650e+00 2.38 -2.433613457e+00 -2.433613457e+00 2.40 -2.692663241e+00 -2.692663241e+00 2.42 -2.925710007e+00 -2.925710007e+00 2.44 -3.134361518e+00 -3.134361518e+00 2.46 -3.320338152e+00 -3.320338152e+00 2.48 -3.485487196e+00 -3.485487196e+00 2.50 -3.631603090e+00 -3.631603090e+00 2.52 -3.760393937e+00 -3.760393937e+00 2.54 -3.873444846e+00 -3.873444846e+00 2.56 -3.972191646e+00 -3.972191646e+00 2.58 -4.057913716e+00 -4.057913716e+00 2.60 -4.131689048e+00 -4.131689048e+00 2.62 -4.194337629e+00 -4.194337629e+00 2.64 -4.246599167e+00 -4.246599167e+00 2.66 -4.289157804e+00 -4.289157804e+00 2.68 -4.322631489e+00 -4.322631489e+00 2.70 -4.347565959e+00 -4.347565959e+00 2.72 -4.364628198e+00 -4.364628198e+00 2.74 -4.375121592e+00 -4.375121592e+00 2.76 -4.379668285e+00 -4.379668285e+00 2.78 -4.378018520e+00 -4.378018520e+00 2.80 -4.369992253e+00 -4.369992253e+00 2.82 -4.355486866e+00 -4.355486866e+00 2.84 -4.334471813e+00 -4.334471813e+00 2.86 -4.306986075e+00 -4.306986075e+00 2.88 -4.273144815e+00 -4.273144815e+00 2.90 -4.233178985e+00 -4.233178985e+00 2.92 -4.187449899e+00 -4.187449899e+00 2.94 -4.136373934e+00 -4.136373934e+00 2.96 -4.080401107e+00 -4.080401107e+00 2.98 -4.020007279e+00 -4.020007279e+00 3.00 -3.955685685e+00 -3.955685685e+00 3.02 -3.887938568e+00 -3.887938568e+00 3.04 -3.817268440e+00 -3.817268440e+00 3.06 -3.744167778e+00 -3.744167778e+00 3.08 -3.669106237e+00 -3.669106237e+00 3.10 -3.592516138e+00 -3.592516138e+00 3.12 -3.514778280e+00 -3.514778280e+00 3.14 -3.436211184e+00 -3.436211184e+00 3.16 -3.357066185e+00 -3.357066185e+00 3.18 -3.277529596e+00 -3.277529596e+00 3.20 -3.197731230e+00 -3.197731230e+00 3.22 -3.117757498e+00 -3.117757498e+00 3.24 -3.037666798e+00 -3.037666798e+00 3.26 -2.957505127e+00 -2.957505127e+00 3.28 -2.877320387e+00 -2.877320387e+00 3.30 -2.797174396e+00 -2.797174396e+00 3.32 -2.717152072e+00 -2.717152072e+00 3.34 -2.637367491e+00 -2.637367491e+00 3.36 -2.557966678e+00 -2.557966678e+00 3.38 -2.479127115e+00 -2.479127115e+00 3.40 -2.401054089e+00 -2.401054089e+00 3.42 -2.323974190e+00 -2.323974190e+00 3.44 -2.248126493e+00 -2.248126493e+00 3.46 -2.173752219e+00 -2.173752219e+00 3.48 -2.101083793e+00 -2.101083793e+00 3.50 -2.030334329e+00 -2.030334329e+00 3.52 -1.961688479e+00 -1.961688479e+00 3.54 -1.895295405e+00 -1.895295405e+00 3.56 -1.831264329e+00 -1.831264329e+00 3.58 -1.769662809e+00 -1.769662809e+00 3.60 -1.710517531e+00 -1.710517531e+00 3.62 -1.653817228e+00 -1.653817228e+00 3.64 -1.599517140e+00 -1.599517140e+00 3.66 -1.547544419e+00 -1.547544419e+00 3.68 -1.497803915e+00 -1.497803915e+00 3.70 -1.450183888e+00 -1.450183888e+00 3.72 -1.404561298e+00 -1.404561298e+00 3.74 -1.360806485e+00 -1.360806485e+00 3.76 -1.318787125e+00 -1.318787125e+00 3.78 -1.278371456e+00 -1.278371456e+00 3.80 -1.239430820e+00 -1.239430820e+00 3.82 -1.201841596e+00 -1.201841596e+00 3.84 -1.165486617e+00 -1.165486617e+00 3.86 -1.130256178e+00 -1.130256178e+00 3.88 -1.096048714e+00 -1.096048714e+00 3.90 -1.062771257e+00 -1.062771257e+00 3.92 -1.030339725e+00 -1.030339725e+00 3.94 -9.986791496e-01 -9.986791496e-01 3.96 -9.677238049e-01 -9.677238049e-01 3.98 -9.374173612e-01 -9.374173612e-01 4.00 -9.077129793e-01 -9.077129793e-01 4.02 -8.785733446e-01 -8.785733446e-01 4.04 -8.499705755e-01 -8.499705755e-01 4.06 -8.218859375e-01 -8.218859375e-01 4.08 -7.943092955e-01 -7.943092955e-01 4.10 -7.672382574e-01 -7.672382574e-01 4.12 -7.406770746e-01 -7.406770746e-01 4.14 -7.146352213e-01 -7.146352213e-01 4.16 -6.891259771e-01 -6.891259771e-01 4.18 -6.641650081e-01 -6.641650081e-01 4.20 -6.397691550e-01 -6.397691550e-01 4.22 -6.159555050e-01 -6.159555050e-01 4.24 -5.927407545e-01 -5.927407545e-01 4.26 -5.701407783e-01 -5.701407783e-01 4.28 -5.481702608e-01 -5.481702608e-01 4.30 -5.268422288e-01 -5.268422288e-01 4.32 -5.061673649e-01 -5.061673649e-01 4.34 -4.861530691e-01 -4.861530691e-01 4.36 -4.668023325e-01 -4.668023325e-01 4.38 -4.481125759e-01 -4.481125759e-01 4.40 -4.300746505e-01 -4.300746505e-01 4.42 -4.126721900e-01 -4.126721900e-01 4.44 -3.958814554e-01 -3.958814554e-01 4.46 -3.796717294e-01 -3.796717294e-01 4.48 -3.640062406e-01 -3.640062406e-01 4.50 -3.488435268e-01 -3.488435268e-01 4.52 -3.341391096e-01 -3.341391096e-01 4.54 -3.198473391e-01 -3.198473391e-01 4.56 -3.059232779e-01 -3.059232779e-01 4.58 -2.923245119e-01 -2.923245119e-01 4.60 -2.790128029e-01 -2.790128029e-01 4.62 -2.659555123e-01 -2.659555123e-01 4.64 -2.531267415e-01 -2.531267415e-01 4.66 -2.405081409e-01 -2.405081409e-01 4.68 -2.280893466e-01 -2.280893466e-01 4.70 -2.158680149e-01 -2.158680149e-01 4.72 -2.038494414e-01 -2.038494414e-01 4.74 -1.920457803e-01 -1.920457803e-01 4.76 -1.804749137e-01 -1.804749137e-01 4.78 -1.691590581e-01 -1.691590581e-01 4.80 -1.581232227e-01 -1.581232227e-01 4.82 -1.473936921e-01 -1.473936921e-01 4.84 -1.369965768e-01 -1.369965768e-01 4.86 -1.269566683e-01 -1.269566683e-01 4.88 -1.172965657e-01 -1.172965657e-01 4.90 -1.080361422e-01 -1.080361422e-01 4.92 -9.919227446e-02 -9.919227446e-02 4.94 -9.077878434e-02 -9.077878434e-02 4.96 -8.280647875e-02 -8.280647875e-02 4.98 -7.528323339e-02 -7.528323339e-02 5.00 -6.821403746e-02 -6.821403746e-02 5.02 -6.160095282e-02 -6.160095282e-02 5.04 -5.544274579e-02 -5.544274579e-02 5.06 -4.973506299e-02 -4.973506299e-02 5.08 -4.447089986e-02 -4.447089986e-02 5.10 -3.963978621e-02 -3.963978621e-02 5.12 -3.522791943e-02 -3.522791943e-02 5.14 -3.121845245e-02 -3.121845245e-02 5.16 -2.759188489e-02 -2.759188489e-02 5.18 -2.432655949e-02 -2.432655949e-02 5.20 -2.139920762e-02 -2.139920762e-02 5.22 -1.878551954e-02 -1.878551954e-02 5.24 -1.646071304e-02 -1.646071304e-02 5.26 -1.440004490e-02 -1.440004490e-02 5.28 -1.257911282e-02 -1.257911282e-02 5.30 -1.097466037e-02 -1.097466037e-02 5.32 -9.564646623e-03 -9.564646623e-03 5.34 -8.328365348e-03 -8.328365348e-03 5.36 -7.246594751e-03 -7.246594751e-03 5.38 -6.301674789e-03 -6.301674789e-03 5.40 -5.477525391e-03 -5.477525391e-03 5.42 -4.759618755e-03 -4.759618755e-03 5.44 -4.134917807e-03 -4.134917807e-03 5.46 -3.591791347e-03 -3.591791347e-03 5.48 -3.119914625e-03 -3.119914625e-03 5.50 -2.710162294e-03 -2.710162294e-03 5.52 -2.354499090e-03 -2.354499090e-03 5.54 -2.045872157e-03 -2.045872157e-03 5.56 -1.778107742e-03 -1.778107742e-03 5.58 -1.545814079e-03 -1.545814079e-03 5.60 -1.344291485e-03 -1.344291485e-03 5.62 -1.169450197e-03 -1.169450197e-03 5.64 -1.017736017e-03 -1.017736017e-03 5.66 -8.860636044e-04 -8.860636044e-04 5.68 -7.717570215e-04 -7.717570215e-04 5.70 -6.724970561e-04 -6.724970561e-04 5.72 -5.862747657e-04 -5.862747657e-04 5.74 -5.113506729e-04 -5.113506729e-04 5.76 -4.462190427e-04 -4.462190427e-04 5.78 -3.895766969e-04 -3.895766969e-04 5.80 -3.402958515e-04 -3.402958515e-04 5.82 -2.974005040e-04 -2.974005040e-04 5.84 -2.600459397e-04 -2.600459397e-04 5.86 -2.275009678e-04 -2.275009678e-04 5.88 -1.991325402e-04 -1.991325402e-04 5.90 -1.743924446e-04 -1.743924446e-04 5.92 -1.528058001e-04 -1.528058001e-04 5.94 -1.339611155e-04 -1.339611155e-04 5.96 -1.175017026e-04 -1.175017026e-04 5.98 -1.031182597e-04 -1.031182597e-04 6.00 -9.054246882e-05 -9.054246882e-05