# 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 = AuMg2Pd # 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 3.754265694e+02 3.754265694e+02 1.30 3.477968100e+02 3.477968100e+02 1.32 3.222289044e+02 3.222289044e+02 1.34 2.985575187e+02 2.985575187e+02 1.36 2.766322002e+02 2.766322002e+02 1.38 2.563157713e+02 2.563157713e+02 1.40 2.374825723e+02 2.374825723e+02 1.42 2.200169545e+02 2.200169545e+02 1.44 2.038125254e+02 2.038125254e+02 1.46 1.887717843e+02 1.887717843e+02 1.48 1.748055907e+02 1.748055907e+02 1.50 1.618325094e+02 1.618325094e+02 1.52 1.497781796e+02 1.497781796e+02 1.54 1.385745385e+02 1.385745385e+02 1.56 1.281588908e+02 1.281588908e+02 1.58 1.184730301e+02 1.184730301e+02 1.60 1.094627101e+02 1.094627101e+02 1.62 1.010779613e+02 1.010779613e+02 1.64 9.328340907e+01 9.328340907e+01 1.66 8.605341956e+01 8.605341956e+01 1.68 7.935134125e+01 7.935134125e+01 1.70 7.313790265e+01 7.313790265e+01 1.72 6.737740204e+01 6.737740204e+01 1.74 6.203699658e+01 6.203699658e+01 1.76 5.708639053e+01 5.708639053e+01 1.78 5.249760277e+01 5.249760277e+01 1.80 4.824476971e+01 4.824476971e+01 1.82 4.430395323e+01 4.430395323e+01 1.84 4.065295923e+01 4.065295923e+01 1.86 3.727115816e+01 3.727115816e+01 1.88 3.413929638e+01 3.413929638e+01 1.90 3.123933592e+01 3.123933592e+01 1.92 2.855436831e+01 2.855436831e+01 1.94 2.606859457e+01 2.606859457e+01 1.96 2.376733558e+01 2.376733558e+01 1.98 2.163701888e+01 2.163701888e+01 2.00 1.966513533e+01 1.966513533e+01 2.02 1.784017571e+01 1.784017571e+01 2.04 1.615155712e+01 1.615155712e+01 2.06 1.458953931e+01 1.458953931e+01 2.08 1.314513333e+01 1.314513333e+01 2.10 1.181001620e+01 1.181001620e+01 2.12 1.057645714e+01 1.057645714e+01 2.14 9.437263062e+00 9.437263062e+00 2.16 8.385738205e+00 8.385738205e+00 2.18 7.415651308e+00 7.415651308e+00 2.20 6.521209282e+00 6.521209282e+00 2.22 5.697031270e+00 5.697031270e+00 2.24 4.938127290e+00 4.938127290e+00 2.26 4.239879801e+00 4.239879801e+00 2.28 3.598023660e+00 3.598023660e+00 2.30 3.008626480e+00 3.008626480e+00 2.32 2.468057687e+00 2.468057687e+00 2.34 1.972955862e+00 1.972955862e+00 2.36 1.520191244e+00 1.520191244e+00 2.38 1.106829977e+00 1.106829977e+00 2.40 7.301018262e-01 7.301018262e-01 2.42 3.873725599e-01 3.873725599e-01 2.44 7.612476643e-02 7.612476643e-02 2.46 -2.060543379e-01 -2.060543379e-01 2.48 -4.614741765e-01 -4.614741765e-01 2.50 -6.923321717e-01 -6.923321717e-01 2.52 -9.006976523e-01 -9.006976523e-01 2.54 -1.088494504e+00 -1.088494504e+00 2.56 -1.257809682e+00 -1.257809682e+00 2.58 -1.410350753e+00 -1.410350753e+00 2.60 -1.547276035e+00 -1.547276035e+00 2.62 -1.669660686e+00 -1.669660686e+00 2.64 -1.778503055e+00 -1.778503055e+00 2.66 -1.874724948e+00 -1.874724948e+00 2.68 -1.959176289e+00 -1.959176289e+00 2.70 -2.032641315e+00 -2.032641315e+00 2.72 -2.095871630e+00 -2.095871630e+00 2.74 -2.149589874e+00 -2.149589874e+00 2.76 -2.194467011e+00 -2.194467011e+00 2.78 -2.231131443e+00 -2.231131443e+00 2.80 -2.260177953e+00 -2.260177953e+00 2.82 -2.282172878e+00 -2.282172878e+00 2.84 -2.297661203e+00 -2.297661203e+00 2.86 -2.307171321e+00 -2.307171321e+00 2.88 -2.311218741e+00 -2.311218741e+00 2.90 -2.310307697e+00 -2.310307697e+00 2.92 -2.304930081e+00 -2.304930081e+00 2.94 -2.295561744e+00 -2.295561744e+00 2.96 -2.282657041e+00 -2.282657041e+00 2.98 -2.266643096e+00 -2.266643096e+00 3.00 -2.247915327e+00 -2.247915327e+00 3.02 -2.226835144e+00 -2.226835144e+00 3.04 -2.203729520e+00 -2.203729520e+00 3.06 -2.178893236e+00 -2.178893236e+00 3.08 -2.152588684e+00 -2.152588684e+00 3.10 -2.125048488e+00 -2.125048488e+00 3.12 -2.096475945e+00 -2.096475945e+00 3.14 -2.067048118e+00 -2.067048118e+00 3.16 -2.036915263e+00 -2.036915263e+00 3.18 -2.006205763e+00 -2.006205763e+00 3.20 -1.975032012e+00 -1.975032012e+00 3.22 -1.943523627e+00 -1.943523627e+00 3.24 -1.911745746e+00 -1.911745746e+00 3.26 -1.879744888e+00 -1.879744888e+00 3.28 -1.847570522e+00 -1.847570522e+00 3.30 -1.815275243e+00 -1.815275243e+00 3.32 -1.782913893e+00 -1.782913893e+00 3.34 -1.750541905e+00 -1.750541905e+00 3.36 -1.718213375e+00 -1.718213375e+00 3.38 -1.685970641e+00 -1.685970641e+00 3.40 -1.653809184e+00 -1.653809184e+00 3.42 -1.621715913e+00 -1.621715913e+00 3.44 -1.589685796e+00 -1.589685796e+00 3.46 -1.557720690e+00 -1.557720690e+00 3.48 -1.525828219e+00 -1.525828219e+00 3.50 -1.494020828e+00 -1.494020828e+00 3.52 -1.462314826e+00 -1.462314826e+00 3.54 -1.430729406e+00 -1.430729406e+00 3.56 -1.399285671e+00 -1.399285671e+00 3.58 -1.368005713e+00 -1.368005713e+00 3.60 -1.336911788e+00 -1.336911788e+00 3.62 -1.306025614e+00 -1.306025614e+00 3.64 -1.275367816e+00 -1.275367816e+00 3.66 -1.244957520e+00 -1.244957520e+00 3.68 -1.214812106e+00 -1.214812106e+00 3.70 -1.184947107e+00 -1.184947107e+00 3.72 -1.155376264e+00 -1.155376264e+00 3.74 -1.126111699e+00 -1.126111699e+00 3.76 -1.097164200e+00 -1.097164200e+00 3.78 -1.068543567e+00 -1.068543567e+00 3.80 -1.040258973e+00 -1.040258973e+00 3.82 -1.012319286e+00 -1.012319286e+00 3.84 -9.847332793e-01 -9.847332793e-01 3.86 -9.575097183e-01 -9.575097183e-01 3.88 -9.306572899e-01 -9.306572899e-01 3.90 -9.041844320e-01 -9.041844320e-01 3.92 -8.780989544e-01 -8.780989544e-01 3.94 -8.524086198e-01 -8.524086198e-01 3.96 -8.271199954e-01 -8.271199954e-01 3.98 -8.022394568e-01 -8.022394568e-01 4.00 -7.777733487e-01 -7.777733487e-01 4.02 -7.537284852e-01 -7.537284852e-01 4.04 -7.301126722e-01 -7.301126722e-01 4.06 -7.069351357e-01 -7.069351357e-01 4.08 -6.842067504e-01 -6.842067504e-01 4.10 -6.619394535e-01 -6.619394535e-01 4.12 -6.401481914e-01 -6.401481914e-01 4.14 -6.188466955e-01 -6.188466955e-01 4.16 -5.980492434e-01 -5.980492434e-01 4.18 -5.777691009e-01 -5.777691009e-01 4.20 -5.580176897e-01 -5.580176897e-01 4.22 -5.388038986e-01 -5.388038986e-01 4.24 -5.201336013e-01 -5.201336013e-01 4.26 -5.020093946e-01 -5.020093946e-01 4.28 -4.844305259e-01 -4.844305259e-01 4.30 -4.673929503e-01 -4.673929503e-01 4.32 -4.508894553e-01 -4.508894553e-01 4.34 -4.349098021e-01 -4.349098021e-01 4.36 -4.194408630e-01 -4.194408630e-01 4.38 -4.044667592e-01 -4.044667592e-01 4.40 -3.899690234e-01 -3.899690234e-01 4.42 -3.759268199e-01 -3.759268199e-01 4.44 -3.623172465e-01 -3.623172465e-01 4.46 -3.491157322e-01 -3.491157322e-01 4.48 -3.362965278e-01 -3.362965278e-01 4.50 -3.238332741e-01 -3.238332741e-01 4.52 -3.116996247e-01 -3.116996247e-01 4.54 -2.998698977e-01 -2.998698977e-01 4.56 -2.883197330e-01 -2.883197330e-01 4.58 -2.770267327e-01 -2.770267327e-01 4.60 -2.659710637e-01 -2.659710637e-01 4.62 -2.551360024e-01 -2.551360024e-01 4.64 -2.445083963e-01 -2.445083963e-01 4.66 -2.340790157e-01 -2.340790157e-01 4.68 -2.238427652e-01 -2.238427652e-01 4.70 -2.137987270e-01 -2.137987270e-01 4.72 -2.039500132e-01 -2.039500132e-01 4.74 -1.943034201e-01 -1.943034201e-01 4.76 -1.848688932e-01 -1.848688932e-01 4.78 -1.756588352e-01 -1.756588352e-01 4.80 -1.666869226e-01 -1.666869226e-01 4.82 -1.579688821e-01 -1.579688821e-01 4.84 -1.495191537e-01 -1.495191537e-01 4.86 -1.413519523e-01 -1.413519523e-01 4.88 -1.334802250e-01 -1.334802250e-01 4.90 -1.259152342e-01 -1.259152342e-01 4.92 -1.186662899e-01 -1.186662899e-01 4.94 -1.117406058e-01 -1.117406058e-01 4.96 -1.051432392e-01 -1.051432392e-01 4.98 -9.887707661e-02 -9.887707661e-02 5.00 -9.294283515e-02 -9.294283515e-02 5.02 -8.733906365e-02 -8.733906365e-02 5.04 -8.206214454e-02 -8.206214454e-02 5.06 -7.710630873e-02 -7.710630873e-02 5.08 -7.246368437e-02 -7.246368437e-02 5.10 -6.812440157e-02 -6.812440157e-02 5.12 -6.407673070e-02 -6.407673070e-02 5.14 -6.030732797e-02 -6.030732797e-02 5.16 -5.680152806e-02 -5.680152806e-02 5.18 -5.354367789e-02 -5.354367789e-02 5.20 -5.051749511e-02 -5.051749511e-02 5.22 -4.770627995e-02 -4.770627995e-02 5.24 -4.509256351e-02 -4.509256351e-02 5.26 -4.266068937e-02 -4.266068937e-02 5.28 -4.039573424e-02 -4.039573424e-02 5.30 -3.828344026e-02 -3.828344026e-02 5.32 -3.631044421e-02 -3.631044421e-02 5.34 -3.446443351e-02 -3.446443351e-02 5.36 -3.273423695e-02 -3.273423695e-02 5.38 -3.110985917e-02 -3.110985917e-02 5.40 -2.958246606e-02 -2.958246606e-02 5.42 -2.814432943e-02 -2.814432943e-02 5.44 -2.678873887e-02 -2.678873887e-02 5.46 -2.550988872e-02 -2.550988872e-02 5.48 -2.430274832e-02 -2.430274832e-02 5.50 -2.316292446e-02 -2.316292446e-02 5.52 -2.208652448e-02 -2.208652448e-02 5.54 -2.107002846e-02 -2.107002846e-02 5.56 -2.011017722e-02 -2.011017722e-02 5.58 -1.920388110e-02 -1.920388110e-02 5.60 -1.834815224e-02 -1.834815224e-02 5.62 -1.754006026e-02 -1.754006026e-02 5.64 -1.677670939e-02 -1.677670939e-02 5.66 -1.605523316e-02 -1.605523316e-02 5.68 -1.537280219e-02 -1.537280219e-02 5.70 -1.472664010e-02 -1.472664010e-02 5.72 -1.411404333e-02 -1.411404333e-02 5.74 -1.353240085e-02 -1.353240085e-02 5.76 -1.297918845e-02 -1.297918845e-02 5.78 -1.245202129e-02 -1.245202129e-02 5.80 -1.194866542e-02 -1.194866542e-02 5.82 -1.146702585e-02 -1.146702585e-02 5.84 -1.100514811e-02 -1.100514811e-02 5.86 -1.056121665e-02 -1.056121665e-02 5.88 -1.013355111e-02 -1.013355111e-02 5.90 -9.720601069e-03 -9.720601069e-03 5.92 -9.320940512e-03 -9.320940512e-03 5.94 -8.933262330e-03 -8.933262330e-03 5.96 -8.556373722e-03 -8.556373722e-03 5.98 -8.189192838e-03 -8.189192838e-03 6.00 -7.830746985e-03 -7.830746985e-03