# 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 = Au2MgTa # 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 4.337865679e+02 4.337865679e+02 1.30 4.025421591e+02 4.025421591e+02 1.32 3.736170879e+02 3.736170879e+02 1.34 3.468285404e+02 3.468285404e+02 1.36 3.220053823e+02 3.220053823e+02 1.38 2.989889583e+02 2.989889583e+02 1.40 2.776337675e+02 2.776337675e+02 1.42 2.578071288e+02 2.578071288e+02 1.44 2.393881911e+02 2.393881911e+02 1.46 2.222667395e+02 2.222667395e+02 1.48 2.063422444e+02 2.063422444e+02 1.50 1.915235212e+02 1.915235212e+02 1.52 1.777286267e+02 1.777286267e+02 1.54 1.648840839e+02 1.648840839e+02 1.56 1.529231797e+02 1.529231797e+02 1.58 1.417840391e+02 1.417840391e+02 1.60 1.314083476e+02 1.314083476e+02 1.62 1.217409418e+02 1.217409418e+02 1.64 1.127299290e+02 1.127299290e+02 1.66 1.043269164e+02 1.043269164e+02 1.68 9.648716970e+01 9.648716970e+01 1.70 8.916965626e+01 8.916965626e+01 1.72 8.233694823e+01 8.233694823e+01 1.74 7.595495708e+01 7.595495708e+01 1.76 6.999251751e+01 6.999251751e+01 1.78 6.442225258e+01 6.442225258e+01 1.80 5.922094995e+01 5.922094995e+01 1.82 5.437307374e+01 5.437307374e+01 1.84 4.986944230e+01 4.986944230e+01 1.86 4.568538945e+01 4.568538945e+01 1.88 4.179808233e+01 4.179808233e+01 1.90 3.818670408e+01 3.818670408e+01 1.92 3.483240900e+01 3.483240900e+01 1.94 3.171819524e+01 3.171819524e+01 1.96 2.882867326e+01 2.882867326e+01 1.98 2.614975810e+01 2.614975810e+01 2.00 2.366834946e+01 2.366834946e+01 2.02 2.137205485e+01 2.137205485e+01 2.04 1.924898946e+01 1.924898946e+01 2.06 1.728766482e+01 1.728766482e+01 2.08 1.547696490e+01 1.547696490e+01 2.10 1.380619470e+01 1.380619470e+01 2.12 1.226516602e+01 1.226516602e+01 2.14 1.084428488e+01 1.084428488e+01 2.16 9.534610079e+00 9.534610079e+00 2.18 8.327871596e+00 8.327871596e+00 2.20 7.216453645e+00 7.216453645e+00 2.22 6.193350881e+00 6.193350881e+00 2.24 5.252111350e+00 5.252111350e+00 2.26 4.386774297e+00 4.386774297e+00 2.28 3.591808109e+00 3.591808109e+00 2.30 2.862054516e+00 2.862054516e+00 2.32 2.192681977e+00 2.192681977e+00 2.34 1.579153954e+00 1.579153954e+00 2.36 1.017215455e+00 1.017215455e+00 2.38 5.028944311e-01 5.028944311e-01 2.40 3.251172707e-02 3.251172707e-02 2.42 -3.973064735e-01 -3.973064735e-01 2.44 -7.895081964e-01 -7.895081964e-01 2.46 -1.146971602e+00 -1.146971602e+00 2.48 -1.472391333e+00 -1.472391333e+00 2.50 -1.768194599e+00 -1.768194599e+00 2.52 -2.036593475e+00 -2.036593475e+00 2.54 -2.279633848e+00 -2.279633848e+00 2.56 -2.499223260e+00 -2.499223260e+00 2.58 -2.696971633e+00 -2.696971633e+00 2.60 -2.874294270e+00 -2.874294270e+00 2.62 -3.032601372e+00 -3.032601372e+00 2.64 -3.173267368e+00 -3.173267368e+00 2.66 -3.297596267e+00 -3.297596267e+00 2.68 -3.406796925e+00 -3.406796925e+00 2.70 -3.501971290e+00 -3.501971290e+00 2.72 -3.584115646e+00 -3.584115646e+00 2.74 -3.654131192e+00 -3.654131192e+00 2.76 -3.712838938e+00 -3.712838938e+00 2.78 -3.760994494e+00 -3.760994494e+00 2.80 -3.799300978e+00 -3.799300978e+00 2.82 -3.828417402e+00 -3.828417402e+00 2.84 -3.849052558e+00 -3.849052558e+00 2.86 -3.861832455e+00 -3.861832455e+00 2.88 -3.867183090e+00 -3.867183090e+00 2.90 -3.865530606e+00 -3.865530606e+00 2.92 -3.857300430e+00 -3.857300430e+00 2.94 -3.842915777e+00 -3.842915777e+00 2.96 -3.822796999e+00 -3.822796999e+00 2.98 -3.797361521e+00 -3.797361521e+00 3.00 -3.767023635e+00 -3.767023635e+00 3.02 -3.732186004e+00 -3.732186004e+00 3.04 -3.693238978e+00 -3.693238978e+00 3.06 -3.650568151e+00 -3.650568151e+00 3.08 -3.604548219e+00 -3.604548219e+00 3.10 -3.555538141e+00 -3.555538141e+00 3.12 -3.503875036e+00 -3.503875036e+00 3.14 -3.449870553e+00 -3.449870553e+00 3.16 -3.393808307e+00 -3.393808307e+00 3.18 -3.335945351e+00 -3.335945351e+00 3.20 -3.276515105e+00 -3.276515105e+00 3.22 -3.215731819e+00 -3.215731819e+00 3.24 -3.153795355e+00 -3.153795355e+00 3.26 -3.090895385e+00 -3.090895385e+00 3.28 -3.027214254e+00 -3.027214254e+00 3.30 -2.962928117e+00 -2.962928117e+00 3.32 -2.898208524e+00 -2.898208524e+00 3.34 -2.833248445e+00 -2.833248445e+00 3.36 -2.768157827e+00 -2.768157827e+00 3.38 -2.703021374e+00 -2.703021374e+00 3.40 -2.637923421e+00 -2.637923421e+00 3.42 -2.572943403e+00 -2.572943403e+00 3.44 -2.508137369e+00 -2.508137369e+00 3.46 -2.443478772e+00 -2.443478772e+00 3.48 -2.378935686e+00 -2.378935686e+00 3.50 -2.314497991e+00 -2.314497991e+00 3.52 -2.250168062e+00 -2.250168062e+00 3.54 -2.185954175e+00 -2.185954175e+00 3.56 -2.121866608e+00 -2.121866608e+00 3.58 -2.057916180e+00 -2.057916180e+00 3.60 -1.994114822e+00 -1.994114822e+00 3.62 -1.930477682e+00 -1.930477682e+00 3.64 -1.867026303e+00 -1.867026303e+00 3.66 -1.803792362e+00 -1.803792362e+00 3.68 -1.740821538e+00 -1.740821538e+00 3.70 -1.678177041e+00 -1.678177041e+00 3.72 -1.615942383e+00 -1.615942383e+00 3.74 -1.554222984e+00 -1.554222984e+00 3.76 -1.493146270e+00 -1.493146270e+00 3.78 -1.432860023e+00 -1.432860023e+00 3.80 -1.373528885e+00 -1.373528885e+00 3.82 -1.315329120e+00 -1.315329120e+00 3.84 -1.258441918e+00 -1.258441918e+00 3.86 -1.203045757e+00 -1.203045757e+00 3.88 -1.149308444e+00 -1.149308444e+00 3.90 -1.097379570e+00 -1.097379570e+00 3.92 -1.047383912e+00 -1.047383912e+00 3.94 -9.994171408e-01 -9.994171408e-01 3.96 -9.535421254e-01 -9.535421254e-01 3.98 -9.097887802e-01 -9.097887802e-01 4.00 -8.681551074e-01 -8.681551074e-01 4.02 -8.286100435e-01 -8.286100435e-01 4.04 -7.910975172e-01 -7.910975172e-01 4.06 -7.555412509e-01 -7.555412509e-01 4.08 -7.218498678e-01 -7.218498678e-01 4.10 -6.899216473e-01 -6.899216473e-01 4.12 -6.596504289e-01 -6.596504289e-01 4.14 -6.309278834e-01 -6.309278834e-01 4.16 -6.036483908e-01 -6.036483908e-01 4.18 -5.777115259e-01 -5.777115259e-01 4.20 -5.530241948e-01 -5.530241948e-01 4.22 -5.295020710e-01 -5.295020710e-01 4.24 -5.070703495e-01 -5.070703495e-01 4.26 -4.856638521e-01 -4.856638521e-01 4.28 -4.652265353e-01 -4.652265353e-01 4.30 -4.457104792e-01 -4.457104792e-01 4.32 -4.270744692e-01 -4.270744692e-01 4.34 -4.092823176e-01 -4.092823176e-01 4.36 -3.923010930e-01 -3.923010930e-01 4.38 -3.760994343e-01 -3.760994343e-01 4.40 -3.606461038e-01 -3.606461038e-01 4.42 -3.459088955e-01 -3.459088955e-01 4.44 -3.318539560e-01 -3.318539560e-01 4.46 -3.184455176e-01 -3.184455176e-01 4.48 -3.056459903e-01 -3.056459903e-01 4.50 -2.934163259e-01 -2.934163259e-01 4.52 -2.817165548e-01 -2.817165548e-01 4.54 -2.705064001e-01 -2.705064001e-01 4.56 -2.597458899e-01 -2.597458899e-01 4.58 -2.493959174e-01 -2.493959174e-01 4.60 -2.394187182e-01 -2.394187182e-01 4.62 -2.297782598e-01 -2.297782598e-01 4.64 -2.204405506e-01 -2.204405506e-01 4.66 -2.113738889e-01 -2.113738889e-01 4.68 -2.025490735e-01 -2.025490735e-01 4.70 -1.939395980e-01 -1.939395980e-01 4.72 -1.855218501e-01 -1.855218501e-01 4.74 -1.772753252e-01 -1.772753252e-01 4.76 -1.691828627e-01 -1.691828627e-01 4.78 -1.612308990e-01 -1.612308990e-01 4.80 -1.534095312e-01 -1.534095312e-01 4.82 -1.457135621e-01 -1.457135621e-01 4.84 -1.381414190e-01 -1.381414190e-01 4.86 -1.306961382e-01 -1.306961382e-01 4.88 -1.233850959e-01 -1.233850959e-01 4.90 -1.162198027e-01 -1.162198027e-01 4.92 -1.092154959e-01 -1.092154959e-01 4.94 -1.023905153e-01 -1.023905153e-01 4.96 -9.576546822e-02 -9.576546822e-02 4.98 -8.936221427e-02 -8.936221427e-02 5.00 -8.320272907e-02 -8.320272907e-02 5.02 -7.730792336e-02 -7.730792336e-02 5.04 -7.169650837e-02 -7.169650837e-02 5.06 -6.638399828e-02 -6.638399828e-02 5.08 -6.138192752e-02 -6.138192752e-02 5.10 -5.669733879e-02 -5.669733879e-02 5.12 -5.233255845e-02 -5.233255845e-02 5.14 -4.828526536e-02 -4.828526536e-02 5.16 -4.454882519e-02 -4.454882519e-02 5.18 -4.111281721e-02 -4.111281721e-02 5.20 -3.796362453e-02 -3.796362453e-02 5.22 -3.508448474e-02 -3.508448474e-02 5.24 -3.245812348e-02 -3.245812348e-02 5.26 -3.006643932e-02 -3.006643932e-02 5.28 -2.789067166e-02 -2.789067166e-02 5.30 -2.591209081e-02 -2.591209081e-02 5.32 -2.411265224e-02 -2.411265224e-02 5.34 -2.247515815e-02 -2.247515815e-02 5.36 -2.098348764e-02 -2.098348764e-02 5.38 -1.962280265e-02 -1.962280265e-02 5.40 -1.837963246e-02 -1.837963246e-02 5.42 -1.724186081e-02 -1.724186081e-02 5.44 -1.619868425e-02 -1.619868425e-02 5.46 -1.524053224e-02 -1.524053224e-02 5.48 -1.435896122e-02 -1.435896122e-02 5.50 -1.354653371e-02 -1.354653371e-02 5.52 -1.279669193e-02 -1.279669193e-02 5.54 -1.210363369e-02 -1.210363369e-02 5.56 -1.146219699e-02 -1.146219699e-02 5.58 -1.086775751e-02 -1.086775751e-02 5.60 -1.031614166e-02 -1.031614166e-02 5.62 -9.803555797e-03 -9.803555797e-03 5.64 -9.326530873e-03 -9.326530873e-03 5.66 -8.881880578e-03 -8.881880578e-03 5.68 -8.466670534e-03 -8.466670534e-03 5.70 -8.078195734e-03 -8.078195734e-03 5.72 -7.713963700e-03 -7.713963700e-03 5.74 -7.371681173e-03 -7.371681173e-03 5.76 -7.049242682e-03 -7.049242682e-03 5.78 -6.744719876e-03 -6.744719876e-03 5.80 -6.456350969e-03 -6.456350969e-03 5.82 -6.182530005e-03 -6.182530005e-03 5.84 -5.921795968e-03 -5.921795968e-03 5.86 -5.672821867e-03 -5.672821867e-03 5.88 -5.434404084e-03 -5.434404084e-03 5.90 -5.205452228e-03 -5.205452228e-03 5.92 -4.984979801e-03 -4.984979801e-03 5.94 -4.772095872e-03 -4.772095872e-03 5.96 -4.565997977e-03 -4.565997977e-03 5.98 -4.365966337e-03 -4.365966337e-03 6.00 -4.171359501e-03 -4.171359501e-03