# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = AlNi3 # 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 2025-07-01 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 6.312236631e+02 nan nan 0.92 5.704728606e+02 nan nan 0.94 5.149028790e+02 nan nan 0.96 4.643940225e+02 nan nan 0.98 4.186986285e+02 5.843484617e+02 nan 1.00 3.774962930e+02 5.365339132e+02 nan 1.02 3.404325412e+02 4.925710137e+02 6.061497290e+02 1.04 3.068436448e+02 4.514429029e+02 5.583231517e+02 1.06 2.761952002e+02 4.124364083e+02 5.122825625e+02 1.08 2.483489919e+02 3.758406861e+02 4.685845211e+02 1.10 2.231329376e+02 3.417946527e+02 4.275566177e+02 1.12 2.003569990e+02 3.103283985e+02 3.893568375e+02 1.14 1.798250368e+02 2.813967602e+02 3.540224046e+02 1.16 1.613427979e+02 2.549043348e+02 3.215066324e+02 1.18 1.447230966e+02 2.307239194e+02 2.917064749e+02 1.20 1.297889945e+02 2.087099690e+02 2.644829616e+02 1.22 1.163755669e+02 1.887082749e+02 2.396761774e+02 1.24 1.043306859e+02 1.705627897e+02 2.171160794e+02 1.26 9.351513777e+01 1.541203256e+02 1.966301710e+02 1.28 8.380230277e+01 1.392336661e+02 1.780488037e+02 1.30 7.507755941e+01 1.257635178e+02 1.612087135e+02 1.32 6.723753062e+01 1.135796161e+02 1.459552526e+02 1.34 6.018924940e+01 1.025612264e+02 1.321436676e+02 1.36 5.384930172e+01 9.259722591e+01 1.196396968e+02 1.38 4.814297958e+01 8.358589384e+01 1.083196850e+02 1.40 4.300346959e+01 7.543451618e+01 9.807037002e+01 1.42 3.837108924e+01 6.805887487e+01 8.878845579e+01 1.44 3.419257794e+01 6.138267307e+01 8.038004890e+01 1.46 3.042044627e+01 5.533693637e+01 7.276002545e+01 1.48 2.701238220e+01 4.985941323e+01 6.585136613e+01 1.50 2.393071270e+01 4.489399245e+01 5.958448992e+01 1.52 2.114191749e+01 4.039014977e+01 5.389660846e+01 1.54 1.861619105e+01 3.630242818e+01 4.873111031e+01 1.56 1.632704862e+01 3.258995613e+01 4.403698476e+01 1.58 1.425097288e+01 2.921600515e+01 3.976828901e+01 1.60 1.236709646e+01 2.614758465e+01 3.588365773e+01 1.62 1.065691746e+01 2.335507392e+01 3.234585659e+01 1.64 9.104043989e+00 2.081188862e+01 2.912137672e+01 1.66 7.693930996e+00 1.849417871e+01 2.618006740e+01 1.68 6.413538504e+00 1.638055630e+01 2.349480560e+01 1.70 5.251120096e+00 1.445184992e+01 2.104119781e+01 1.72 4.196102481e+00 1.269088274e+01 1.879731146e+01 1.74 3.238977226e+00 1.108226018e+01 1.674343386e+01 1.76 2.371201475e+00 9.612142601e+00 1.486185472e+01 1.78 1.585106013e+00 8.268053891e+00 1.313667052e+01 1.80 8.737772244e-01 7.038741662e+00 1.155360854e+01 1.82 2.309123992e-01 5.914061540e+00 1.009986774e+01 1.84 -3.492506425e-01 4.884872885e+00 8.763975510e+00 1.86 -8.719800109e-01 3.942944307e+00 7.535658193e+00 1.88 -1.342092093e+00 3.080867837e+00 6.405723827e+00 1.90 -1.763990166e+00 2.291981187e+00 5.365956236e+00 1.92 -2.141699693e+00 1.570297032e+00 4.409018932e+00 1.94 -2.478900577e+00 9.104386480e-01 3.528367904e+00 1.96 -2.778956632e+00 3.075814416e-01 2.718172614e+00 1.98 -3.044942558e+00 -2.426004457e-01 1.973244012e+00 2.00 -3.279668640e+00 -7.439878911e-01 1.288961481e+00 2.02 -3.485704624e+00 -1.200094000e+00 6.611640742e-01 2.04 -3.665414287e+00 -1.614155134e+00 8.602055874e-02 2.06 -3.820985558e+00 -1.989191486e+00 -4.400553203e-01 2.08 -3.954444223e+00 -2.328024394e+00 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-3.140152251e+00 3.16 -2.041804663e+00 -2.756301866e+00 -3.081464914e+00 3.18 -1.994203656e+00 -2.701013856e+00 -3.023321587e+00 3.20 -1.947534618e+00 -2.646464914e+00 -2.965762379e+00 3.22 -1.901791342e+00 -2.592673839e+00 -2.908822821e+00 3.24 -1.856966508e+00 -2.539656462e+00 -2.852534223e+00 3.26 -1.813051811e+00 -2.487425894e+00 -2.796924002e+00 3.28 -1.770038083e+00 -2.435992758e+00 -2.742015990e+00 3.30 -1.727915396e+00 -2.385365403e+00 -2.687830722e+00 3.32 -1.686673165e+00 -2.335550103e+00 -2.634385702e+00 3.34 -1.646300231e+00 -2.286551242e+00 -2.581695647e+00 3.36 -1.606784952e+00 -2.238371482e+00 -2.529772723e+00 3.38 -1.568115267e+00 -2.191011924e+00 -2.478626756e+00 3.40 -1.530278772e+00 -2.144472248e+00 -2.428265430e+00 3.42 -1.493262772e+00 -2.098750855e+00 -2.378694473e+00 3.44 -1.457054345e+00 -2.053844984e+00 -2.329917827e+00 3.46 -1.421640385e+00 -2.009750832e+00 -2.281937807e+00 3.48 -1.387007651e+00 -1.966463656e+00 -2.234757472e+00 3.50 -1.353142806e+00 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-8.598329314e-01 -1.286779843e+00 -1.484107070e+00 3.88 -8.380841945e-01 -1.257842132e+00 -1.451686432e+00 3.90 -8.168519701e-01 -1.229514660e+00 -1.419909847e+00 3.92 -7.961253482e-01 -1.201786882e+00 -1.388766927e+00 3.94 -7.758936084e-01 -1.174648321e+00 -1.358247277e+00 3.96 -7.561462195e-01 -1.148088576e+00 -1.328340510e+00 3.98 -7.368728397e-01 -1.122097338e+00 -1.299036269e+00 4.00 -7.180633152e-01 -1.096664390e+00 -1.270324237e+00 4.02 -7.000734659e-01 -1.071779623e+00 -1.242194154e+00 4.04 -6.882066959e-01 -1.047433035e+00 -1.214635826e+00 4.06 -7.033757817e-01 -1.023614743e+00 -1.187639137e+00 4.08 -7.844698686e-01 -1.000314981e+00 -1.161194058e+00 4.10 -7.715905125e-01 -9.775241120e-01 -1.135290657e+00 4.12 -7.552984175e-01 -9.552326248e-01 -1.109919103e+00 4.14 -7.393470732e-01 -9.334311400e-01 -1.085069675e+00 4.16 -7.237295690e-01 -9.121104115e-01 -1.060732767e+00 4.18 -7.084391266e-01 -8.912613287e-01 -1.036898890e+00 4.20 -6.934690988e-01 -8.708749171e-01 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