# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Nb2TiW # 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 2025-12-17 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 3.268335744e+03 3.268335744e+03 1.08 2.867073602e+03 2.867073602e+03 1.10 2.515261660e+03 2.515261660e+03 1.12 2.207436405e+03 2.207436405e+03 1.14 1.937602973e+03 1.937602973e+03 1.16 1.701750939e+03 1.701750939e+03 1.18 1.495436893e+03 1.495436893e+03 1.20 1.313896656e+03 1.313896656e+03 1.22 1.154932789e+03 1.154932789e+03 1.24 1.015873277e+03 1.015873277e+03 1.26 8.939438220e+02 8.939438220e+02 1.28 7.874359229e+02 7.874359229e+02 1.30 6.940652196e+02 6.940652196e+02 1.32 6.116949987e+02 6.116949987e+02 1.34 5.391791843e+02 5.391791843e+02 1.36 4.756204016e+02 4.756204016e+02 1.38 4.203524292e+02 4.203524292e+02 1.40 3.718202551e+02 3.718202551e+02 1.42 3.287599676e+02 3.287599676e+02 1.44 2.907248222e+02 2.907248222e+02 1.46 2.571771664e+02 2.571771664e+02 1.48 2.280866068e+02 2.280866068e+02 1.50 2.025335575e+02 2.025335575e+02 1.52 1.797686390e+02 1.797686390e+02 1.54 1.596679741e+02 1.596679741e+02 1.56 1.418392340e+02 1.418392340e+02 1.58 1.260163180e+02 1.260163180e+02 1.60 1.120688949e+02 1.120688949e+02 1.62 9.984135679e+01 9.984135679e+01 1.64 8.894013634e+01 8.894013634e+01 1.66 7.917623183e+01 7.917623183e+01 1.68 7.054909687e+01 7.054909687e+01 1.70 6.294214102e+01 6.294214102e+01 1.72 5.619491644e+01 5.619491644e+01 1.74 5.017042927e+01 5.017042927e+01 1.76 4.480739588e+01 4.480739588e+01 1.78 4.015857627e+01 4.015857627e+01 1.80 3.618553338e+01 3.618553338e+01 1.82 3.250854891e+01 3.250854891e+01 1.84 2.913926881e+01 2.913926881e+01 1.86 2.616028452e+01 2.616028452e+01 1.88 2.350841635e+01 2.350841635e+01 1.90 2.111832150e+01 2.111832150e+01 1.92 1.891510572e+01 1.891510572e+01 1.94 1.684354239e+01 1.684354239e+01 1.96 1.490188807e+01 1.490188807e+01 1.98 1.314827568e+01 1.314827568e+01 2.00 1.164071104e+01 1.164071104e+01 2.02 1.040667278e+01 1.040667278e+01 2.04 9.401184469e+00 9.401184469e+00 2.06 8.418124582e+00 8.418124582e+00 2.08 7.302730708e+00 7.302730708e+00 2.10 6.196300779e+00 6.196300779e+00 2.12 5.145434443e+00 5.145434443e+00 2.14 4.173809712e+00 4.173809712e+00 2.16 3.264223611e+00 3.264223611e+00 2.18 2.292605377e+00 2.292605377e+00 2.20 1.431848173e+00 1.431848173e+00 2.22 6.521595467e-01 6.521595467e-01 2.24 7.973051393e-03 7.973051393e-03 2.26 -5.446441441e-01 -5.446441441e-01 2.28 -1.030482942e+00 -1.030482942e+00 2.30 -1.610490583e+00 -1.610490583e+00 2.32 -2.178903830e+00 -2.178903830e+00 2.34 -2.702233848e+00 -2.702233848e+00 2.36 -3.307894702e+00 -3.307894702e+00 2.38 -3.883576898e+00 -3.883576898e+00 2.40 -4.353442051e+00 -4.353442051e+00 2.42 -4.678546664e+00 -4.678546664e+00 2.44 -4.887478188e+00 -4.887478188e+00 2.46 -5.077291735e+00 -5.077291735e+00 2.48 -5.318496621e+00 -5.318496621e+00 2.50 -5.554707967e+00 -5.554707967e+00 2.52 -5.794181119e+00 -5.794181119e+00 2.54 -6.046063501e+00 -6.046063501e+00 2.56 -6.288575473e+00 -6.288575473e+00 2.58 -6.518963443e+00 -6.518963443e+00 2.60 -6.703946551e+00 -6.703946551e+00 2.62 -6.848364971e+00 -6.848364971e+00 2.64 -6.957453610e+00 -6.957453610e+00 2.66 -7.034302914e+00 -7.034302914e+00 2.68 -7.087301766e+00 -7.087301766e+00 2.70 -7.124847523e+00 -7.124847523e+00 2.72 -7.152130932e+00 -7.152130932e+00 2.74 -7.174066735e+00 -7.174066735e+00 2.76 -7.199425594e+00 -7.199425594e+00 2.78 -7.224609137e+00 -7.224609137e+00 2.80 -7.245422334e+00 -7.245422334e+00 2.82 -7.258369143e+00 -7.258369143e+00 2.84 -7.262160169e+00 -7.262160169e+00 2.86 -7.257149058e+00 -7.257149058e+00 2.88 -7.245536112e+00 -7.245536112e+00 2.90 -7.228595301e+00 -7.228595301e+00 2.92 -7.208945151e+00 -7.208945151e+00 2.94 -7.185138818e+00 -7.185138818e+00 2.96 -7.147200624e+00 -7.147200624e+00 2.98 -7.109493201e+00 -7.109493201e+00 3.00 -7.069412501e+00 -7.069412501e+00 3.02 -7.039923130e+00 -7.039923130e+00 3.04 -7.024697043e+00 -7.024697043e+00 3.06 -7.016263245e+00 -7.016263245e+00 3.08 -7.008894615e+00 -7.008894615e+00 3.10 -6.992146233e+00 -6.992146233e+00 3.12 -6.955516458e+00 -6.955516458e+00 3.14 -6.881772008e+00 -6.881772008e+00 3.16 -6.768486369e+00 -6.768486369e+00 3.18 -6.605385510e+00 -6.605385510e+00 3.20 -6.413051237e+00 -6.413051237e+00 3.22 -6.232883249e+00 -6.232883249e+00 3.24 -6.115538762e+00 -6.115538762e+00 3.26 -6.040139344e+00 -6.040139344e+00 3.28 -5.968398101e+00 -5.968398101e+00 3.30 -5.897567331e+00 -5.897567331e+00 3.32 -5.823796399e+00 -5.823796399e+00 3.34 -5.742274707e+00 -5.742274707e+00 3.36 -5.653200374e+00 -5.653200374e+00 3.38 -5.555209134e+00 -5.555209134e+00 3.40 -5.442711367e+00 -5.442711367e+00 3.42 -5.324260976e+00 -5.324260976e+00 3.44 -5.207063183e+00 -5.207063183e+00 3.46 -5.089334941e+00 -5.089334941e+00 3.48 -4.968841517e+00 -4.968841517e+00 3.50 -4.851187874e+00 -4.851187874e+00 3.52 -4.744861271e+00 -4.744861271e+00 3.54 -4.655952648e+00 -4.655952648e+00 3.56 -4.590875955e+00 -4.590875955e+00 3.58 -4.548737224e+00 -4.548737224e+00 3.60 -4.520422230e+00 -4.520422230e+00 3.62 -4.496109725e+00 -4.496109725e+00 3.64 -4.466065793e+00 -4.466065793e+00 3.66 -4.427202471e+00 -4.427202471e+00 3.68 -4.383110576e+00 -4.383110576e+00 3.70 -4.335722820e+00 -4.335722820e+00 3.72 -4.286951829e+00 -4.286951829e+00 3.74 -4.236423298e+00 -4.236423298e+00 3.76 -4.179123791e+00 -4.179123791e+00 3.78 -4.110497881e+00 -4.110497881e+00 3.80 -4.026559081e+00 -4.026559081e+00 3.82 -3.925027946e+00 -3.925027946e+00 3.84 -3.808470176e+00 -3.808470176e+00 3.86 -3.680572392e+00 -3.680572392e+00 3.88 -3.545664398e+00 -3.545664398e+00 3.90 -3.407472588e+00 -3.407472588e+00 3.92 -3.267985006e+00 -3.267985006e+00 3.94 -3.129876452e+00 -3.129876452e+00 3.96 -2.994372512e+00 -2.994372512e+00 3.98 -2.862096060e+00 -2.862096060e+00 4.00 -2.734521764e+00 -2.734521764e+00 4.02 -2.615682775e+00 -2.615682775e+00 4.04 -2.508958561e+00 -2.508958561e+00 4.06 -2.416401722e+00 -2.416401722e+00 4.08 -2.337395176e+00 -2.337395176e+00 4.10 -2.269290342e+00 -2.269290342e+00 4.12 -2.209863415e+00 -2.209863415e+00 4.14 -2.157443132e+00 -2.157443132e+00 4.16 -2.110805998e+00 -2.110805998e+00 4.18 -2.069802939e+00 -2.069802939e+00 4.20 -2.034189780e+00 -2.034189780e+00 4.22 -2.005002203e+00 -2.005002203e+00 4.24 -1.982615415e+00 -1.982615415e+00 4.26 -1.966482199e+00 -1.966482199e+00 4.28 -1.955941270e+00 -1.955941270e+00 4.30 -1.950333806e+00 -1.950333806e+00 4.32 -1.949047391e+00 -1.949047391e+00 4.34 -1.951455160e+00 -1.951455160e+00 4.36 -1.956931927e+00 -1.956931927e+00 4.38 -1.964924516e+00 -1.964924516e+00 4.40 -1.974900197e+00 -1.974900197e+00 4.42 -1.986332162e+00 -1.986332162e+00 4.44 -1.998687311e+00 -1.998687311e+00 4.46 -2.011238587e+00 -2.011238587e+00 4.48 -2.023228312e+00 -2.023228312e+00 4.50 -2.034646340e+00 -2.034646340e+00 4.52 -2.045586480e+00 -2.045586480e+00 4.54 -2.056156769e+00 -2.056156769e+00 4.56 -2.066482221e+00 -2.066482221e+00 4.58 -2.076735060e+00 -2.076735060e+00 4.60 -2.087042944e+00 -2.087042944e+00 4.62 -2.096661808e+00 -2.096661808e+00 4.64 -2.104043198e+00 -2.104043198e+00 4.66 -2.107566703e+00 -2.107566703e+00 4.68 -2.105572855e+00 -2.105572855e+00 4.70 -2.096540969e+00 -2.096540969e+00 4.72 -2.079125552e+00 -2.079125552e+00 4.74 -2.052251863e+00 -2.052251863e+00 4.76 -2.016916914e+00 -2.016916914e+00 4.78 -1.975123035e+00 -1.975123035e+00 4.80 -1.929197277e+00 -1.929197277e+00 4.82 -1.881459971e+00 -1.881459971e+00 4.84 -1.834072244e+00 -1.834072244e+00 4.86 -1.788973458e+00 -1.788973458e+00 4.88 -1.747283070e+00 -1.747283070e+00 4.90 -1.707619091e+00 -1.707619091e+00 4.92 -1.668191611e+00 -1.668191611e+00 4.94 -1.628944271e+00 -1.628944271e+00 4.96 -1.590834832e+00 -1.590834832e+00 4.98 -1.554847990e+00 -1.554847990e+00 5.00 -1.521989914e+00 -1.521989914e+00 5.02 -1.494473756e+00 -1.494473756e+00 5.04 -1.474958550e+00 -1.474958550e+00 5.06 -1.462015491e+00 -1.462015491e+00 5.08 -1.452616411e+00 -1.452616411e+00 5.10 -1.444184471e+00 -1.444184471e+00 5.12 -1.434790188e+00 -1.434790188e+00 5.14 -1.422665354e+00 -1.422665354e+00 5.16 -1.406137871e+00 -1.406137871e+00 5.18 -1.385919113e+00 -1.385919113e+00 5.20 -1.363361548e+00 -1.363361548e+00 5.22 -1.339984625e+00 -1.339984625e+00 5.24 -1.317117977e+00 -1.317117977e+00 5.26 -1.295979787e+00 -1.295979787e+00 5.28 -1.277277679e+00 -1.277277679e+00 5.30 -1.260691248e+00 -1.260691248e+00 5.32 -1.245833647e+00 -1.245833647e+00 5.34 -1.232421569e+00 -1.232421569e+00 5.36 -1.220261206e+00 -1.220261206e+00 5.38 -1.208351499e+00 -1.208351499e+00 5.40 -1.193449595e+00 -1.193449595e+00 5.42 -1.174662652e+00 -1.174662652e+00 5.44 -1.151845595e+00 -1.151845595e+00 5.46 -1.125084620e+00 -1.125084620e+00 5.48 -1.094709338e+00 -1.094709338e+00 5.50 -1.061393646e+00 -1.061393646e+00 5.52 -1.026203167e+00 -1.026203167e+00 5.54 -9.905257149e-01 -9.905257149e-01 5.56 -9.546592555e-01 -9.546592555e-01 5.58 -9.174535330e-01 -9.174535330e-01 5.60 -8.772012259e-01 -8.772012259e-01 5.62 -8.316367181e-01 -8.316367181e-01 5.64 -7.778282311e-01 -7.778282311e-01 5.66 -7.119451914e-01 -7.119451914e-01 5.68 -6.304384885e-01 -6.304384885e-01 5.70 -5.397377003e-01 -5.397377003e-01 5.72 -4.496688619e-01 -4.496688619e-01 5.74 -3.670030286e-01 -3.670030286e-01 5.76 -2.993356207e-01 -2.993356207e-01 5.78 -2.580229301e-01 -2.580229301e-01 5.80 -2.526544766e-01 -2.526544766e-01 5.82 -2.861006662e-01 -2.861006662e-01 5.84 -3.480959804e-01 -3.480959804e-01 5.86 -4.231557403e-01 -4.231557403e-01 5.88 -5.004015560e-01 -5.004015560e-01 5.90 -5.698835789e-01 -5.698835789e-01 5.92 -6.220612571e-01 -6.220612571e-01 5.94 -6.474885672e-01 -6.474885672e-01 5.96 -6.433651822e-01 -6.433651822e-01 5.98 -6.145380888e-01 -6.145380888e-01 6.00 -5.661856947e-01 -5.661856947e-01