# 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 = Ag2MgW # 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 3.804125244e+02 3.804125244e+02 1.30 3.519056243e+02 3.519056243e+02 1.32 3.255794813e+02 3.255794813e+02 1.34 3.012566499e+02 3.012566499e+02 1.36 2.787734444e+02 2.787734444e+02 1.38 2.579794546e+02 2.579794546e+02 1.40 2.387373571e+02 2.387373571e+02 1.42 2.209223329e+02 2.209223329e+02 1.44 2.044209422e+02 2.044209422e+02 1.46 1.891297711e+02 1.891297711e+02 1.48 1.749543847e+02 1.749543847e+02 1.50 1.618087840e+02 1.618087840e+02 1.52 1.496150173e+02 1.496150173e+02 1.54 1.383025208e+02 1.383025208e+02 1.56 1.278072000e+02 1.278072000e+02 1.58 1.180704898e+02 1.180704898e+02 1.60 1.090385097e+02 1.090385097e+02 1.62 1.006613028e+02 1.006613028e+02 1.64 9.289218291e+01 9.289218291e+01 1.66 8.568725612e+01 8.568725612e+01 1.68 7.900553644e+01 7.900553644e+01 1.70 7.280871368e+01 7.280871368e+01 1.72 6.706062593e+01 6.706062593e+01 1.74 6.172777760e+01 6.172777760e+01 1.76 5.677940864e+01 5.677940864e+01 1.78 5.218969719e+01 5.218969719e+01 1.80 4.793300585e+01 4.793300585e+01 1.82 4.398514997e+01 4.398514997e+01 1.84 4.032398613e+01 4.032398613e+01 1.86 3.692927303e+01 3.692927303e+01 1.88 3.378248646e+01 3.378248646e+01 1.90 3.086659378e+01 3.086659378e+01 1.92 2.816580733e+01 2.816580733e+01 1.94 2.566535514e+01 2.566535514e+01 1.96 2.335130978e+01 2.335130978e+01 1.98 2.121049672e+01 2.121049672e+01 2.00 1.923046991e+01 1.923046991e+01 2.02 1.739951810e+01 1.739951810e+01 2.04 1.570666348e+01 1.570666348e+01 2.06 1.414162887e+01 1.414162887e+01 2.08 1.269477702e+01 1.269477702e+01 2.10 1.135705037e+01 1.135705037e+01 2.12 1.011993927e+01 1.011993927e+01 2.14 8.975491035e+00 8.975491035e+00 2.16 7.916348745e+00 7.916348745e+00 2.18 6.935793422e+00 6.935793422e+00 2.20 6.027766541e+00 6.027766541e+00 2.22 5.186856596e+00 5.186856596e+00 2.24 4.408324901e+00 4.408324901e+00 2.26 3.687898156e+00 3.687898156e+00 2.28 3.021585041e+00 3.021585041e+00 2.30 2.405804749e+00 2.405804749e+00 2.32 1.837300659e+00 1.837300659e+00 2.34 1.313070825e+00 1.313070825e+00 2.36 8.303140397e-01 8.303140397e-01 2.38 3.864796386e-01 3.864796386e-01 2.40 -2.060139333e-02 -2.060139333e-02 2.42 -3.930213852e-01 -3.930213852e-01 2.44 -7.328431229e-01 -7.328431229e-01 2.46 -1.042082319e+00 -1.042082319e+00 2.48 -1.322694693e+00 -1.322694693e+00 2.50 -1.576567391e+00 -1.576567391e+00 2.52 -1.805514482e+00 -1.805514482e+00 2.54 -2.011276388e+00 -2.011276388e+00 2.56 -2.195522417e+00 -2.195522417e+00 2.58 -2.359854109e+00 -2.359854109e+00 2.60 -2.505805834e+00 -2.505805834e+00 2.62 -2.634839154e+00 -2.634839154e+00 2.64 -2.748330747e+00 -2.748330747e+00 2.66 -2.847555029e+00 -2.847555029e+00 2.68 -2.933670182e+00 -2.933670182e+00 2.70 -3.007711361e+00 -3.007711361e+00 2.72 -3.070594667e+00 -3.070594667e+00 2.74 -3.123130284e+00 -3.123130284e+00 2.76 -3.166040622e+00 -3.166040622e+00 2.78 -3.199978901e+00 -3.199978901e+00 2.80 -3.225545881e+00 -3.225545881e+00 2.82 -3.243301661e+00 -3.243301661e+00 2.84 -3.253775435e+00 -3.253775435e+00 2.86 -3.257471914e+00 -3.257471914e+00 2.88 -3.254876233e+00 -3.254876233e+00 2.90 -3.246457793e+00 -3.246457793e+00 2.92 -3.232673357e+00 -3.232673357e+00 2.94 -3.213993909e+00 -3.213993909e+00 2.96 -3.191049192e+00 -3.191049192e+00 2.98 -3.164126258e+00 -3.164126258e+00 3.00 -3.133449333e+00 -3.133449333e+00 3.02 -3.099265710e+00 -3.099265710e+00 3.04 -3.061835934e+00 -3.061835934e+00 3.06 -3.021424891e+00 -3.021424891e+00 3.08 -2.978289546e+00 -2.978289546e+00 3.10 -2.932671959e+00 -2.932671959e+00 3.12 -2.884825023e+00 -2.884825023e+00 3.14 -2.834959085e+00 -2.834959085e+00 3.16 -2.783188461e+00 -2.783188461e+00 3.18 -2.729614660e+00 -2.729614660e+00 3.20 -2.674325030e+00 -2.674325030e+00 3.22 -2.617393219e+00 -2.617393219e+00 3.24 -2.558854956e+00 -2.558854956e+00 3.26 -2.498706268e+00 -2.498706268e+00 3.28 -2.436973284e+00 -2.436973284e+00 3.30 -2.373717248e+00 -2.373717248e+00 3.32 -2.309034508e+00 -2.309034508e+00 3.34 -2.243058023e+00 -2.243058023e+00 3.36 -2.175959163e+00 -2.175959163e+00 3.38 -2.107948826e+00 -2.107948826e+00 3.40 -2.039276933e+00 -2.039276933e+00 3.42 -1.970229864e+00 -1.970229864e+00 3.44 -1.901124659e+00 -1.901124659e+00 3.46 -1.832300803e+00 -1.832300803e+00 3.48 -1.764109172e+00 -1.764109172e+00 3.50 -1.696899183e+00 -1.696899183e+00 3.52 -1.631005236e+00 -1.631005236e+00 3.54 -1.566733725e+00 -1.566733725e+00 3.56 -1.504351878e+00 -1.504351878e+00 3.58 -1.444079386e+00 -1.444079386e+00 3.60 -1.386083447e+00 -1.386083447e+00 3.62 -1.330477325e+00 -1.330477325e+00 3.64 -1.277322146e+00 -1.277322146e+00 3.66 -1.226631345e+00 -1.226631345e+00 3.68 -1.178376983e+00 -1.178376983e+00 3.70 -1.132497132e+00 -1.132497132e+00 3.72 -1.088903594e+00 -1.088903594e+00 3.74 -1.047489375e+00 -1.047489375e+00 3.76 -1.008135468e+00 -1.008135468e+00 3.78 -9.707167017e-01 -9.707167017e-01 3.80 -9.351065138e-01 -9.351065138e-01 3.82 -9.011806410e-01 -9.011806410e-01 3.84 -8.688197679e-01 -8.688197679e-01 3.86 -8.379112471e-01 -8.379112471e-01 3.88 -8.083500286e-01 -8.083500286e-01 3.90 -7.800389629e-01 -7.800389629e-01 3.92 -7.528885173e-01 -7.528885173e-01 3.94 -7.268169094e-01 -7.268169094e-01 3.96 -7.017486404e-01 -7.017486404e-01 3.98 -6.776145388e-01 -6.776145388e-01 4.00 -6.543510458e-01 -6.543510458e-01 4.02 -6.318997563e-01 -6.318997563e-01 4.04 -6.102070547e-01 -6.102070547e-01 4.06 -5.892238437e-01 -5.892238437e-01 4.08 -5.689053562e-01 -5.689053562e-01 4.10 -5.492107502e-01 -5.492107502e-01 4.12 -5.301043174e-01 -5.301043174e-01 4.14 -5.115535380e-01 -5.115535380e-01 4.16 -4.935305522e-01 -4.935305522e-01 4.18 -4.760118925e-01 -4.760118925e-01 4.20 -4.589785796e-01 -4.589785796e-01 4.22 -4.424161640e-01 -4.424161640e-01 4.24 -4.263146568e-01 -4.263146568e-01 4.26 -4.106682952e-01 -4.106682952e-01 4.28 -3.954750961e-01 -3.954750961e-01 4.30 -3.807361719e-01 -3.807361719e-01 4.32 -3.664548156e-01 -3.664548156e-01 4.34 -3.526354000e-01 -3.526354000e-01 4.36 -3.392821722e-01 -3.392821722e-01 4.38 -3.263980540e-01 -3.263980540e-01 4.40 -3.139835641e-01 -3.139835641e-01 4.42 -3.020359693e-01 -3.020359693e-01 4.44 -2.905487398e-01 -2.905487398e-01 4.46 -2.795113376e-01 -2.795113376e-01 4.48 -2.689093257e-01 -2.689093257e-01 4.50 -2.587247434e-01 -2.587247434e-01 4.52 -2.489366737e-01 -2.489366737e-01 4.54 -2.395219183e-01 -2.395219183e-01 4.56 -2.304557042e-01 -2.304557042e-01 4.58 -2.217123619e-01 -2.217123619e-01 4.60 -2.132659355e-01 -2.132659355e-01 4.62 -2.050907071e-01 -2.050907071e-01 4.64 -1.971616308e-01 -1.971616308e-01 4.66 -1.894546904e-01 -1.894546904e-01 4.68 -1.819471939e-01 -1.819471939e-01 4.70 -1.746180297e-01 -1.746180297e-01 4.72 -1.674479001e-01 -1.674479001e-01 4.74 -1.604195510e-01 -1.604195510e-01 4.76 -1.535180082e-01 -1.535180082e-01 4.78 -1.467308242e-01 -1.467308242e-01 4.80 -1.400481375e-01 -1.400481375e-01 4.82 -1.334637405e-01 -1.334637405e-01 4.84 -1.269740264e-01 -1.269740264e-01 4.86 -1.205790671e-01 -1.205790671e-01 4.88 -1.142824745e-01 -1.142824745e-01 4.90 -1.080913837e-01 -1.080913837e-01 4.92 -1.020162892e-01 -1.020162892e-01 4.94 -9.607070769e-02 -9.607070769e-02 4.96 -9.027065941e-02 -9.027065941e-02 4.98 -8.463397110e-02 -8.463397110e-02 5.00 -7.917943186e-02 -7.917943186e-02 5.02 -7.392584937e-02 -7.392584937e-02 5.04 -6.889107292e-02 -6.889107292e-02 5.06 -6.409105815e-02 -6.409105815e-02 5.08 -5.953905123e-02 -5.953905123e-02 5.10 -5.524494861e-02 -5.524494861e-02 5.12 -5.121487459e-02 -5.121487459e-02 5.14 -4.745102260e-02 -4.745102260e-02 5.16 -4.395172296e-02 -4.395172296e-02 5.18 -4.071171853e-02 -4.071171853e-02 5.20 -3.772227549e-02 -3.772227549e-02 5.22 -3.497188366e-02 -3.497188366e-02 5.24 -3.244809177e-02 -3.244809177e-02 5.26 -3.013687477e-02 -3.013687477e-02 5.28 -2.802311949e-02 -2.802311949e-02 5.30 -2.609140480e-02 -2.609140480e-02 5.32 -2.432647641e-02 -2.432647641e-02 5.34 -2.271351174e-02 -2.271351174e-02 5.36 -2.123838068e-02 -2.123838068e-02 5.38 -1.988790377e-02 -1.988790377e-02 5.40 -1.864997667e-02 -1.864997667e-02 5.42 -1.751359788e-02 -1.751359788e-02 5.44 -1.646886701e-02 -1.646886701e-02 5.46 -1.550694051e-02 -1.550694051e-02 5.48 -1.461995670e-02 -1.461995670e-02 5.50 -1.380094124e-02 -1.380094124e-02 5.52 -1.304370254e-02 -1.304370254e-02 5.54 -1.234272589e-02 -1.234272589e-02 5.56 -1.169307283e-02 -1.169307283e-02 5.58 -1.109029086e-02 -1.109029086e-02 5.60 -1.053033637e-02 -1.053033637e-02 5.62 -1.000951199e-02 -1.000951199e-02 5.64 -9.524417985e-03 -9.524417985e-03 5.66 -9.071915905e-03 -9.071915905e-03 5.68 -8.649102342e-03 -8.649102342e-03 5.70 -8.253290131e-03 -8.253290131e-03 5.72 -7.881994586e-03 -7.881994586e-03 5.74 -7.532922692e-03 -7.532922692e-03 5.76 -7.203963690e-03 -7.203963690e-03 5.78 -6.893180013e-03 -6.893180013e-03 5.80 -6.598797975e-03 -6.598797975e-03 5.82 -6.319198011e-03 -6.319198011e-03 5.84 -6.052904514e-03 -6.052904514e-03 5.86 -5.798575480e-03 -5.798575480e-03 5.88 -5.554992248e-03 -5.554992248e-03 5.90 -5.321049659e-03 -5.321049659e-03 5.92 -5.095746930e-03 -5.095746930e-03 5.94 -4.878179493e-03 -4.878179493e-03 5.96 -4.667532007e-03 -4.667532007e-03 5.98 -4.463072681e-03 -4.463072681e-03 6.00 -4.264149001e-03 -4.264149001e-03