# 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 = MoTa2W # 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 4.019214887e+02 4.019214887e+02 1.30 3.722475237e+02 3.722475237e+02 1.32 3.448097090e+02 3.448097090e+02 1.34 3.194164190e+02 3.194164190e+02 1.36 2.958936379e+02 2.958936379e+02 1.38 2.740840575e+02 2.740840575e+02 1.40 2.538467869e+02 2.538467869e+02 1.42 2.350566154e+02 2.350566154e+02 1.44 2.176020394e+02 2.176020394e+02 1.46 2.013823841e+02 2.013823841e+02 1.48 1.863050616e+02 1.863050616e+02 1.50 1.722839087e+02 1.722839087e+02 1.52 1.592389196e+02 1.592389196e+02 1.54 1.470969736e+02 1.470969736e+02 1.56 1.357926806e+02 1.357926806e+02 1.58 1.252684917e+02 1.252684917e+02 1.60 1.154737262e+02 1.154737262e+02 1.62 1.063628265e+02 1.063628265e+02 1.64 9.789350580e+01 9.789350580e+01 1.66 9.002536186e+01 9.002536186e+01 1.68 8.271918154e+01 8.271918154e+01 1.70 7.593683439e+01 7.593683439e+01 1.72 6.964149797e+01 6.964149797e+01 1.74 6.379797606e+01 6.379797606e+01 1.76 5.837297675e+01 5.837297675e+01 1.78 5.333532190e+01 5.333532190e+01 1.80 4.865610898e+01 4.865610898e+01 1.82 4.430883423e+01 4.430883423e+01 1.84 4.026944345e+01 4.026944345e+01 1.86 3.651625023e+01 3.651625023e+01 1.88 3.302968274e+01 3.302968274e+01 1.90 2.979188027e+01 2.979188027e+01 1.92 2.678622126e+01 2.678622126e+01 1.94 2.399689049e+01 2.399689049e+01 1.96 2.140989798e+01 2.140989798e+01 1.98 1.901771321e+01 1.901771321e+01 2.00 1.680785583e+01 1.680785583e+01 2.02 1.476692871e+01 1.476692871e+01 2.04 1.288093954e+01 1.288093954e+01 2.06 1.113700696e+01 1.113700696e+01 2.08 9.523427215e+00 9.523427215e+00 2.10 8.029648018e+00 8.029648018e+00 2.12 6.646188303e+00 6.646188303e+00 2.14 5.364548567e+00 5.364548567e+00 2.16 4.177135354e+00 4.177135354e+00 2.18 3.077196012e+00 3.077196012e+00 2.20 2.058745444e+00 2.058745444e+00 2.22 1.116469827e+00 1.116469827e+00 2.24 2.456056391e-01 2.456056391e-01 2.26 -5.581947389e-01 -5.581947389e-01 2.28 -1.298992958e+00 -1.298992958e+00 2.30 -1.980672529e+00 -1.980672529e+00 2.32 -2.607011573e+00 -2.607011573e+00 2.34 -3.181714475e+00 -3.181714475e+00 2.36 -3.708404217e+00 -3.708404217e+00 2.38 -4.190584682e+00 -4.190584682e+00 2.40 -4.631587630e+00 -4.631587630e+00 2.42 -5.034520534e+00 -5.034520534e+00 2.44 -5.402228440e+00 -5.402228440e+00 2.46 -5.737276671e+00 -5.737276671e+00 2.48 -6.041954411e+00 -6.041954411e+00 2.50 -6.318294260e+00 -6.318294260e+00 2.52 -6.568100954e+00 -6.568100954e+00 2.54 -6.792983174e+00 -6.792983174e+00 2.56 -6.994384340e+00 -6.994384340e+00 2.58 -7.173610456e+00 -7.173610456e+00 2.60 -7.331854580e+00 -7.331854580e+00 2.62 -7.470218176e+00 -7.470218176e+00 2.64 -7.589729669e+00 -7.589729669e+00 2.66 -7.691360228e+00 -7.691360228e+00 2.68 -7.775984496e+00 -7.775984496e+00 2.70 -7.844482420e+00 -7.844482420e+00 2.72 -7.897634344e+00 -7.897634344e+00 2.74 -7.936353735e+00 -7.936353735e+00 2.76 -7.961660584e+00 -7.961660584e+00 2.78 -7.974519697e+00 -7.974519697e+00 2.80 -7.975843294e+00 -7.975843294e+00 2.82 -7.966493889e+00 -7.966493889e+00 2.84 -7.947165981e+00 -7.947165981e+00 2.86 -7.918424633e+00 -7.918424633e+00 2.88 -7.880816513e+00 -7.880816513e+00 2.90 -7.834621315e+00 -7.834621315e+00 2.92 -7.779982484e+00 -7.779982484e+00 2.94 -7.717117212e+00 -7.717117212e+00 2.96 -7.646304023e+00 -7.646304023e+00 2.98 -7.567840389e+00 -7.567840389e+00 3.00 -7.481812469e+00 -7.481812469e+00 3.02 -7.388216773e+00 -7.388216773e+00 3.04 -7.287104861e+00 -7.287104861e+00 3.06 -7.178561305e+00 -7.178561305e+00 3.08 -7.062681848e+00 -7.062681848e+00 3.10 -6.939556728e+00 -6.939556728e+00 3.12 -6.809260914e+00 -6.809260914e+00 3.14 -6.671852200e+00 -6.671852200e+00 3.16 -6.527377218e+00 -6.527377218e+00 3.18 -6.375884660e+00 -6.375884660e+00 3.20 -6.217444330e+00 -6.217444330e+00 3.22 -6.052170208e+00 -6.052170208e+00 3.24 -5.880245384e+00 -5.880245384e+00 3.26 -5.701946477e+00 -5.701946477e+00 3.28 -5.517665076e+00 -5.517665076e+00 3.30 -5.327923831e+00 -5.327923831e+00 3.32 -5.133385111e+00 -5.133385111e+00 3.34 -4.934850718e+00 -4.934850718e+00 3.36 -4.733251858e+00 -4.733251858e+00 3.38 -4.529629410e+00 -4.529629410e+00 3.40 -4.325105335e+00 -4.325105335e+00 3.42 -4.120846805e+00 -4.120846805e+00 3.44 -3.918025269e+00 -3.918025269e+00 3.46 -3.717773156e+00 -3.717773156e+00 3.48 -3.521141328e+00 -3.521141328e+00 3.50 -3.329060527e+00 -3.329060527e+00 3.52 -3.142309981e+00 -3.142309981e+00 3.54 -2.961495794e+00 -2.961495794e+00 3.56 -2.787040948e+00 -2.787040948e+00 3.58 -2.619187549e+00 -2.619187549e+00 3.60 -2.458010774e+00 -2.458010774e+00 3.62 -2.303442807e+00 -2.303442807e+00 3.64 -2.155304200e+00 -2.155304200e+00 3.66 -2.013339578e+00 -2.013339578e+00 3.68 -1.877254493e+00 -1.877254493e+00 3.70 -1.746750393e+00 -1.746750393e+00 3.72 -1.621555079e+00 -1.621555079e+00 3.74 -1.501446611e+00 -1.501446611e+00 3.76 -1.386269263e+00 -1.386269263e+00 3.78 -1.275940833e+00 -1.275940833e+00 3.80 -1.170451366e+00 -1.170451366e+00 3.82 -1.069854071e+00 -1.069854071e+00 3.84 -9.742498970e-01 -9.742498970e-01 3.86 -8.837677556e-01 -8.837677556e-01 3.88 -7.985427300e-01 -7.985427300e-01 3.90 -7.186946455e-01 -7.186946455e-01 3.92 -6.443091622e-01 -6.443091622e-01 3.94 -5.754230528e-01 -5.754230528e-01 3.96 -5.120146770e-01 -5.120146770e-01 3.98 -4.539999214e-01 -4.539999214e-01 4.00 -4.012333044e-01 -4.012333044e-01 4.02 -3.535133593e-01 -3.535133593e-01 4.04 -3.105911354e-01 -3.105911354e-01 4.06 -2.721805596e-01 -2.721805596e-01 4.08 -2.379695512e-01 -2.379695512e-01 4.10 -2.076305518e-01 -2.076305518e-01 4.12 -1.808310409e-01 -1.808310409e-01 4.14 -1.572422160e-01 -1.572422160e-01 4.16 -1.365451865e-01 -1.365451865e-01 4.18 -1.184362683e-01 -1.184362683e-01 4.20 -1.026306778e-01 -1.026306778e-01 4.22 -8.886482508e-02 -8.886482508e-02 4.24 -7.689744341e-02 -7.689744341e-02 4.26 -6.650979726e-02 -6.650979726e-02 4.28 -5.750519374e-02 -5.750519374e-02 4.30 -4.970799557e-02 -4.970799557e-02 4.32 -4.296231350e-02 -4.296231350e-02 4.34 -3.713049377e-02 -3.713049377e-02 4.36 -3.209151486e-02 -3.209151486e-02 4.38 -2.773936678e-02 -2.773936678e-02 4.40 -2.398149722e-02 -2.398149722e-02 4.42 -2.073732311e-02 -2.073732311e-02 4.44 -1.793675448e-02 -1.793675448e-02 4.46 -1.551867709e-02 -1.551867709e-02 4.48 -1.343086298e-02 -1.343086298e-02 4.50 -1.162812327e-02 -1.162812327e-02 4.52 -1.007132138e-02 -1.007132138e-02 4.54 -8.726623472e-03 -8.726623472e-03 4.56 -7.564819113e-03 -7.564819113e-03 4.58 -6.560713979e-03 -6.560713979e-03 4.60 -5.692592654e-03 -5.692592654e-03 4.62 -4.941746933e-03 -4.941746933e-03 4.64 -4.292063947e-03 -4.292063947e-03 4.66 -3.729668065e-03 -3.729668065e-03 4.68 -3.242610538e-03 -3.242610538e-03 4.70 -2.820601181e-03 -2.820601181e-03 4.72 -2.454776839e-03 -2.454776839e-03 4.74 -2.137501857e-03 -2.137501857e-03 4.76 -1.862196334e-03 -1.862196334e-03 4.78 -1.623188392e-03 -1.623188392e-03 4.80 -1.415587043e-03 -1.415587043e-03 4.82 -1.235173611e-03 -1.235173611e-03 4.84 -1.078307101e-03 -1.078307101e-03 4.86 -9.418442528e-04 -9.418442528e-04 4.88 -8.230701835e-04 -8.230701835e-04 4.90 -7.196389436e-04 -7.196389436e-04 4.92 -6.295224333e-04 -6.295224333e-04 4.94 -5.509665023e-04 -5.509665023e-04 4.96 -4.824532104e-04 -4.824532104e-04 4.98 -4.226683745e-04 -4.226683745e-04 5.00 -3.704736543e-04 -3.704736543e-04 5.02 -3.248825302e-04 -3.248825302e-04 5.04 -2.850396258e-04 -2.850396258e-04 5.06 -2.502028998e-04 -2.502028998e-04 5.08 -2.197283043e-04 -2.197283043e-04 5.10 -1.930565610e-04 -1.930565610e-04 5.12 -1.697017582e-04 -1.697017582e-04 5.14 -1.492415129e-04 -1.492415129e-04 5.16 -1.313084804e-04 -1.313084804e-04 5.18 -1.155830220e-04 -1.155830220e-04 5.20 -1.017868698e-04 -1.017868698e-04 5.22 -8.967765188e-05 -8.967765188e-05 5.24 -7.904415656e-05 -7.904415656e-05 5.26 -6.970223570e-05 -6.970223570e-05 5.28 -6.149125800e-05 -6.149125800e-05 5.30 -5.427103741e-05 -5.427103741e-05 5.32 -4.791917146e-05 -4.791917146e-05 5.34 -4.232873384e-05 -4.232873384e-05 5.36 -3.740627290e-05 -3.740627290e-05 5.38 -3.307007480e-05 -3.307007480e-05 5.40 -2.924865544e-05 -2.924865544e-05 5.42 -2.587945057e-05 -2.587945057e-05 5.44 -2.290767721e-05 -2.290767721e-05 5.46 -2.028534383e-05 -2.028534383e-05 5.48 -1.797038907e-05 -1.797038907e-05 5.50 -1.592593228e-05 -1.592593228e-05 5.52 -1.411962081e-05 -1.411962081e-05 5.54 -1.252306137e-05 -1.252306137e-05 5.56 -1.111132447e-05 -1.111132447e-05 5.58 -9.862512156e-06 -9.862512156e-06 5.60 -8.757381031e-06 -8.757381031e-06 5.62 -7.779013083e-06 -7.779013083e-06 5.64 -6.912528320e-06 -6.912528320e-06 5.66 -6.144833673e-06 -6.144833673e-06 5.68 -5.464403543e-06 -5.464403543e-06 5.70 -4.861087890e-06 -4.861087890e-06 5.72 -4.325944351e-06 -4.325944351e-06 5.74 -3.851091293e-06 -3.851091293e-06 5.76 -3.429579156e-06 -3.429579156e-06 5.78 -3.055277733e-06 -3.055277733e-06 5.80 -2.722777399e-06 -2.722777399e-06 5.82 -2.427302502e-06 -2.427302502e-06 5.84 -2.164635395e-06 -2.164635395e-06 5.86 -1.931049777e-06 -1.931049777e-06 5.88 -1.723252169e-06 -1.723252169e-06 5.90 -1.538330516e-06 -1.538330516e-06 5.92 -1.373709028e-06 -1.373709028e-06 5.94 -1.227108481e-06 -1.227108481e-06 5.96 -1.096511318e-06 -1.096511318e-06 5.98 -9.801309323e-07 -9.801309323e-07 6.00 -8.763846492e-07 -8.763846492e-07