# 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 = Al2MoTa # 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 1.929750696e+02 1.929750696e+02 1.30 1.792688187e+02 1.792688187e+02 1.32 1.665596573e+02 1.665596573e+02 1.34 1.547660249e+02 1.547660249e+02 1.36 1.438131832e+02 1.438131832e+02 1.38 1.336338072e+02 1.336338072e+02 1.40 1.241674892e+02 1.241674892e+02 1.42 1.153593123e+02 1.153593123e+02 1.44 1.071582525e+02 1.071582525e+02 1.46 9.951623471e+01 9.951623471e+01 1.48 9.238833298e+01 9.238833298e+01 1.50 8.573377659e+01 8.573377659e+01 1.52 7.951672428e+01 7.951672428e+01 1.54 7.370606742e+01 7.370606742e+01 1.56 6.827446443e+01 6.827446443e+01 1.58 6.319726834e+01 6.319726834e+01 1.60 5.845173625e+01 5.845173625e+01 1.62 5.401651493e+01 5.401651493e+01 1.64 4.987128968e+01 4.987128968e+01 1.66 4.599658872e+01 4.599658872e+01 1.68 4.237380934e+01 4.237380934e+01 1.70 3.898544339e+01 3.898544339e+01 1.72 3.581532407e+01 3.581532407e+01 1.74 3.284957050e+01 3.284957050e+01 1.76 3.007863860e+01 3.007863860e+01 1.78 2.749120653e+01 2.749120653e+01 1.80 2.507665390e+01 2.507665390e+01 1.82 2.282390215e+01 2.282390215e+01 1.84 2.072276848e+01 2.072276848e+01 1.86 1.876609906e+01 1.876609906e+01 1.88 1.694693983e+01 1.694693983e+01 1.90 1.525672655e+01 1.525672655e+01 1.92 1.368732714e+01 1.368732714e+01 1.94 1.223095676e+01 1.223095676e+01 1.96 1.088011847e+01 1.088011847e+01 1.98 9.627576783e+00 9.627576783e+00 2.00 8.466365906e+00 8.466365906e+00 2.02 7.389825685e+00 7.389825685e+00 2.04 6.391645779e+00 6.391645779e+00 2.06 5.465895827e+00 5.465895827e+00 2.08 4.607033835e+00 4.607033835e+00 2.10 3.809903447e+00 3.809903447e+00 2.12 3.069735285e+00 3.069735285e+00 2.14 2.382157793e+00 2.382157793e+00 2.16 1.743211698e+00 1.743211698e+00 2.18 1.149356932e+00 1.149356932e+00 2.20 5.974618772e-01 5.974618772e-01 2.22 8.476954206e-02 8.476954206e-02 2.24 -3.911580440e-01 -3.911580440e-01 2.26 -8.325091480e-01 -8.325091480e-01 2.28 -1.241293056e+00 -1.241293056e+00 2.30 -1.619399616e+00 -1.619399616e+00 2.32 -1.968638760e+00 -1.968638760e+00 2.34 -2.290756261e+00 -2.290756261e+00 2.36 -2.587428381e+00 -2.587428381e+00 2.38 -2.860242508e+00 -2.860242508e+00 2.40 -3.110673984e+00 -3.110673984e+00 2.42 -3.340069009e+00 -3.340069009e+00 2.44 -3.549630872e+00 -3.549630872e+00 2.46 -3.740340702e+00 -3.740340702e+00 2.48 -3.913269648e+00 -3.913269648e+00 2.50 -4.069457501e+00 -4.069457501e+00 2.52 -4.209885965e+00 -4.209885965e+00 2.54 -4.335521574e+00 -4.335521574e+00 2.56 -4.447351696e+00 -4.447351696e+00 2.58 -4.546367513e+00 -4.546367513e+00 2.60 -4.633484407e+00 -4.633484407e+00 2.62 -4.709620543e+00 -4.709620543e+00 2.64 -4.775666470e+00 -4.775666470e+00 2.66 -4.832460474e+00 -4.832460474e+00 2.68 -4.880728198e+00 -4.880728198e+00 2.70 -4.921048967e+00 -4.921048967e+00 2.72 -4.953853322e+00 -4.953853322e+00 2.74 -4.979445561e+00 -4.979445561e+00 2.76 -4.997993737e+00 -4.997993737e+00 2.78 -5.009509441e+00 -5.009509441e+00 2.80 -5.014004369e+00 -5.014004369e+00 2.82 -5.011527695e+00 -5.011527695e+00 2.84 -5.002174801e+00 -5.002174801e+00 2.86 -4.986093270e+00 -4.986093270e+00 2.88 -4.963487228e+00 -4.963487228e+00 2.90 -4.934620358e+00 -4.934620358e+00 2.92 -4.899817179e+00 -4.899817179e+00 2.94 -4.859461793e+00 -4.859461793e+00 2.96 -4.814018650e+00 -4.814018650e+00 2.98 -4.765033700e+00 -4.765033700e+00 3.00 -4.713219789e+00 -4.713219789e+00 3.02 -4.658652409e+00 -4.658652409e+00 3.04 -4.601457414e+00 -4.601457414e+00 3.06 -4.541786774e+00 -4.541786774e+00 3.08 -4.479796828e+00 -4.479796828e+00 3.10 -4.415630465e+00 -4.415630465e+00 3.12 -4.349404382e+00 -4.349404382e+00 3.14 -4.281209027e+00 -4.281209027e+00 3.16 -4.211128781e+00 -4.211128781e+00 3.18 -4.139224427e+00 -4.139224427e+00 3.20 -4.065535098e+00 -4.065535098e+00 3.22 -3.990093545e+00 -3.990093545e+00 3.24 -3.912941430e+00 -3.912941430e+00 3.26 -3.834142643e+00 -3.834142643e+00 3.28 -3.753793078e+00 -3.753793078e+00 3.30 -3.672026019e+00 -3.672026019e+00 3.32 -3.589013026e+00 -3.589013026e+00 3.34 -3.504960756e+00 -3.504960756e+00 3.36 -3.420104597e+00 -3.420104597e+00 3.38 -3.334700192e+00 -3.334700192e+00 3.40 -3.249013908e+00 -3.249013908e+00 3.42 -3.163313199e+00 -3.163313199e+00 3.44 -3.077857473e+00 -3.077857473e+00 3.46 -2.992889943e+00 -2.992889943e+00 3.48 -2.908630689e+00 -2.908630689e+00 3.50 -2.825271119e+00 -2.825271119e+00 3.52 -2.742970015e+00 -2.742970015e+00 3.54 -2.661851350e+00 -2.661851350e+00 3.56 -2.582004038e+00 -2.582004038e+00 3.58 -2.503483709e+00 -2.503483709e+00 3.60 -2.426316443e+00 -2.426316443e+00 3.62 -2.350504256e+00 -2.350504256e+00 3.64 -2.276031949e+00 -2.276031949e+00 3.66 -2.202874801e+00 -2.202874801e+00 3.68 -2.131006542e+00 -2.131006542e+00 3.70 -2.060406950e+00 -2.060406950e+00 3.72 -1.991068491e+00 -1.991068491e+00 3.74 -1.923001436e+00 -1.923001436e+00 3.76 -1.856237043e+00 -1.856237043e+00 3.78 -1.790828477e+00 -1.790828477e+00 3.80 -1.726849398e+00 -1.726849398e+00 3.82 -1.664390301e+00 -1.664390301e+00 3.84 -1.603552956e+00 -1.603552956e+00 3.86 -1.544443472e+00 -1.544443472e+00 3.88 -1.487164684e+00 -1.487164684e+00 3.90 -1.431808586e+00 -1.431808586e+00 3.92 -1.378449549e+00 -1.378449549e+00 3.94 -1.327138939e+00 -1.327138939e+00 3.96 -1.277901454e+00 -1.277901454e+00 3.98 -1.230733491e+00 -1.230733491e+00 4.00 -1.185603419e+00 -1.185603419e+00 4.02 -1.142453580e+00 -1.142453580e+00 4.04 -1.101203672e+00 -1.101203672e+00 4.06 -1.061755151e+00 -1.061755151e+00 4.08 -1.023996238e+00 -1.023996238e+00 4.10 -9.878071722e-01 -9.878071722e-01 4.12 -9.530655764e-01 -9.530655764e-01 4.14 -9.196513122e-01 -9.196513122e-01 4.16 -8.874511716e-01 -8.874511716e-01 4.18 -8.563628451e-01 -8.563628451e-01 4.20 -8.262981820e-01 -8.262981820e-01 4.22 -7.971855605e-01 -7.971855605e-01 4.24 -7.689712144e-01 -7.689712144e-01 4.26 -7.416193823e-01 -7.416193823e-01 4.28 -7.151112021e-01 -7.151112021e-01 4.30 -6.894423682e-01 -6.894423682e-01 4.32 -6.646196996e-01 -6.646196996e-01 4.34 -6.406569056e-01 -6.406569056e-01 4.36 -6.175699586e-01 -6.175699586e-01 4.38 -5.953725467e-01 -5.953725467e-01 4.40 -5.740720699e-01 -5.740720699e-01 4.42 -5.536665540e-01 -5.536665540e-01 4.44 -5.341427067e-01 -5.341427067e-01 4.46 -5.154751674e-01 -5.154751674e-01 4.48 -4.976268419e-01 -4.976268419e-01 4.50 -4.805500958e-01 -4.805500958e-01 4.52 -4.641885426e-01 -4.641885426e-01 4.54 -4.484790962e-01 -4.484790962e-01 4.56 -4.333540808e-01 -4.333540808e-01 4.58 -4.187432163e-01 -4.187432163e-01 4.60 -4.045754116e-01 -4.045754116e-01 4.62 -3.907802569e-01 -3.907802569e-01 4.64 -3.772888698e-01 -3.772888698e-01 4.66 -3.640355880e-01 -3.640355880e-01 4.68 -3.509591496e-01 -3.509591496e-01 4.70 -3.380026660e-01 -3.380026660e-01 4.72 -3.251145342e-01 -3.251145342e-01 4.74 -3.122493468e-01 -3.122493468e-01 4.76 -2.993688412e-01 -2.993688412e-01 4.78 -2.864429054e-01 -2.864429054e-01 4.80 -2.734506112e-01 -2.734506112e-01 4.82 -2.603812955e-01 -2.603812955e-01 4.84 -2.472354270e-01 -2.472354270e-01 4.86 -2.340253914e-01 -2.340253914e-01 4.88 -2.207758803e-01 -2.207758803e-01 4.90 -2.075238269e-01 -2.075238269e-01 4.92 -1.943177622e-01 -1.943177622e-01 4.94 -1.812165143e-01 -1.812165143e-01 4.96 -1.682872322e-01 -1.682872322e-01 4.98 -1.556027930e-01 -1.556027930e-01 5.00 -1.432387290e-01 -1.432387290e-01 5.02 -1.312698811e-01 -1.312698811e-01 5.04 -1.197670359e-01 -1.197670359e-01 5.06 -1.087938147e-01 -1.087938147e-01 5.08 -9.840406261e-02 -9.840406261e-02 5.10 -8.863992641e-02 -8.863992641e-02 5.12 -7.953072987e-02 -7.953072987e-02 5.14 -7.109266505e-02 -7.109266505e-02 5.16 -6.332923499e-02 -6.332923499e-02 5.18 -5.623231906e-02 -5.623231906e-02 5.20 -4.978369317e-02 -4.978369317e-02 5.22 -4.395682514e-02 -4.395682514e-02 5.24 -3.871877626e-02 -3.871877626e-02 5.26 -3.403206653e-02 -3.403206653e-02 5.28 -2.985639706e-02 -2.985639706e-02 5.30 -2.615015569e-02 -2.615015569e-02 5.32 -2.287167652e-02 -2.287167652e-02 5.34 -1.998023899e-02 -1.998023899e-02 5.36 -1.743681426e-02 -1.743681426e-02 5.38 -1.520421312e-02 -1.520421312e-02 5.40 -1.324826722e-02 -1.324826722e-02 5.42 -1.153776606e-02 -1.153776606e-02 5.44 -1.004414867e-02 -1.004414867e-02 5.46 -8.741527293e-03 -8.741527293e-03 5.48 -7.606621890e-03 -7.606621890e-03 5.50 -6.618634463e-03 -6.618634463e-03 5.52 -5.759085995e-03 -5.759085995e-03 5.54 -5.011632971e-03 -5.011632971e-03 5.56 -4.361875943e-03 -4.361875943e-03 5.58 -3.797168955e-03 -3.797168955e-03 5.60 -3.306435760e-03 -3.306435760e-03 5.62 -2.879996624e-03 -2.879996624e-03 5.64 -2.509407899e-03 -2.509407899e-03 5.66 -2.187315403e-03 -2.187315403e-03 5.68 -1.907321807e-03 -1.907321807e-03 5.70 -1.663867724e-03 -1.663867724e-03 5.72 -1.452125789e-03 -1.452125789e-03 5.74 -1.267906852e-03 -1.267906852e-03 5.76 -1.107577268e-03 -1.107577268e-03 5.78 -9.679862633e-04 -9.679862633e-04 5.80 -8.464023343e-04 -8.464023343e-04 5.82 -7.404577121e-04 -7.404577121e-04 5.84 -6.480999665e-04 -6.480999665e-04 5.86 -5.675499093e-04 -5.675499093e-04 5.88 -4.972650288e-04 -4.972650288e-04 5.90 -4.359077655e-04 -4.359077655e-04 5.92 -3.823180147e-04 -3.823180147e-04 5.94 -3.354893099e-04 -3.354893099e-04 5.96 -2.945482048e-04 -2.945482048e-04 5.98 -2.587364350e-04 -2.587364350e-04 6.00 -2.273954852e-04 -2.273954852e-04