# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Nichol-A-Ackland-G-J--Li # implementation = 2016--Nichol-A--Li--LAMMPS--ipr2 # composition = Li # 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 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 1.572376952e+02 nan 0.64 nan nan nan nan nan nan nan nan 1.396558220e+02 nan 0.66 nan nan nan nan nan nan nan nan 1.241794422e+02 nan 0.68 nan nan nan nan nan 9.540493541e+01 nan nan 1.106391078e+02 nan 0.70 nan nan nan nan nan 8.520652829e+01 nan nan 9.882280126e+01 nan 0.72 nan nan nan nan nan 7.643279701e+01 nan nan 8.857323584e+01 nan 0.74 nan nan nan nan nan 6.865614620e+01 nan nan 7.958082567e+01 nan 0.76 nan nan nan 1.585778179e+02 1.586287759e+02 6.168530439e+01 nan nan 7.159068510e+01 nan 0.78 nan 9.208768039e+01 nan 1.437322994e+02 1.438117858e+02 5.548879040e+01 9.465408577e+01 nan 6.444567612e+01 9.333092807e+01 0.80 nan 8.327714605e+01 nan 1.304594891e+02 1.305036032e+02 5.003944349e+01 8.547673290e+01 nan 5.804894307e+01 8.452680348e+01 0.82 nan 7.547815908e+01 nan 1.185999482e+02 1.185633664e+02 4.527731079e+01 7.736191270e+01 nan 5.234357746e+01 7.679327630e+01 0.84 nan 6.851135269e+01 nan 1.080109263e+02 1.079168933e+02 4.096389970e+01 7.026503705e+01 nan 4.729012398e+01 6.979011121e+01 0.86 9.883029196e+01 6.223906473e+01 8.839860295e+01 9.858688047e+01 9.849255560e+01 3.703713988e+01 6.401287583e+01 9.141620532e+01 4.281662679e+01 6.334555880e+01 0.88 9.019063295e+01 5.652121521e+01 8.068849331e+01 9.014442625e+01 9.010755370e+01 3.340573123e+01 5.834369133e+01 8.328766319e+01 3.881028913e+01 5.746467052e+01 0.90 8.226919974e+01 5.139486325e+01 7.362333687e+01 8.244367715e+01 8.249855626e+01 3.008067607e+01 5.312081815e+01 7.596577425e+01 3.523782869e+01 5.221789083e+01 0.92 7.516848858e+01 4.681710484e+01 6.713548920e+01 7.542255803e+01 7.552493626e+01 2.714166864e+01 4.832979031e+01 6.942919766e+01 3.205570619e+01 4.758771770e+01 0.94 6.887471811e+01 4.272384460e+01 6.132491342e+01 6.905264116e+01 6.915262714e+01 2.459948706e+01 4.398195886e+01 6.361980723e+01 2.922355167e+01 4.348641157e+01 0.96 6.327558643e+01 3.901511474e+01 5.620820481e+01 6.331650101e+01 6.338110743e+01 2.245141815e+01 4.008093314e+01 5.843873479e+01 2.663065120e+01 3.979758003e+01 0.98 5.823912985e+01 3.564979450e+01 5.166019025e+01 5.816653203e+01 5.818071901e+01 2.057102096e+01 3.660894669e+01 5.377027761e+01 2.420557697e+01 3.649342926e+01 1.00 5.366898076e+01 3.260340487e+01 4.756917383e+01 5.351478875e+01 5.346374122e+01 1.886087221e+01 3.354305424e+01 4.947858304e+01 2.196005613e+01 3.354512914e+01 1.02 4.946814133e+01 2.982839603e+01 4.379604066e+01 4.928758190e+01 4.919068953e+01 1.723648498e+01 3.083606800e+01 4.549965628e+01 1.991173155e+01 3.083086328e+01 1.04 4.555838935e+01 2.728418162e+01 4.027530630e+01 4.541640125e+01 4.531209547e+01 1.569820254e+01 2.840307123e+01 4.178809544e+01 1.807908452e+01 2.826372559e+01 1.06 4.186863594e+01 2.495525958e+01 3.699749269e+01 4.182560035e+01 4.176226910e+01 1.426046412e+01 2.615575236e+01 3.833650389e+01 1.641964434e+01 2.575693680e+01 1.08 3.847644622e+01 2.282898997e+01 3.398599032e+01 3.854123296e+01 3.853271606e+01 1.294115064e+01 2.399445951e+01 3.519992436e+01 1.490461690e+01 2.346412462e+01 1.10 3.537070446e+01 2.088209588e+01 3.121742709e+01 3.552259811e+01 3.556097978e+01 1.174119557e+01 2.195113892e+01 3.238211287e+01 1.352718395e+01 2.143562872e+01 1.12 3.256597844e+01 1.912076202e+01 2.869302024e+01 3.274841088e+01 3.281355580e+01 1.067437107e+01 2.003863619e+01 2.986070757e+01 1.227898821e+01 1.965489373e+01 1.14 3.008989468e+01 1.753188500e+01 2.639570558e+01 3.021489439e+01 3.028165552e+01 9.727914465e+00 1.829293226e+01 2.758786292e+01 1.115394054e+01 1.806895108e+01 1.16 2.788551295e+01 1.609124471e+01 2.432741568e+01 2.790619101e+01 2.795814931e+01 8.878098643e+00 1.673172249e+01 2.551670383e+01 1.014142083e+01 1.660435274e+01 1.18 2.584975522e+01 1.475249023e+01 2.248167287e+01 2.577740063e+01 2.581487555e+01 8.116314472e+00 1.533878154e+01 2.359684776e+01 9.231782889e+00 1.520640837e+01 1.20 2.395217936e+01 1.352988179e+01 2.088297017e+01 2.383804406e+01 2.385853175e+01 7.444973663e+00 1.408097507e+01 2.181149276e+01 8.418978567e+00 1.388963200e+01 1.22 2.216611054e+01 1.242601520e+01 1.943641402e+01 2.205726536e+01 2.205374312e+01 6.826874827e+00 1.289835833e+01 2.015277097e+01 7.675075022e+00 1.267091599e+01 1.24 2.049333760e+01 1.142524829e+01 1.804395781e+01 2.041034595e+01 2.037469312e+01 6.228462665e+00 1.177845857e+01 1.861447626e+01 7.002758702e+00 1.156568202e+01 1.26 1.892605019e+01 1.045557525e+01 1.670202900e+01 1.889143361e+01 1.883437878e+01 5.672582660e+00 1.071521352e+01 1.719361834e+01 6.393502292e+00 1.055683404e+01 1.28 1.748711701e+01 9.549121706e+00 1.539209159e+01 1.749662929e+01 1.742872211e+01 5.143145072e+00 9.723223012e+00 1.589489943e+01 5.840471121e+00 9.647985598e+00 1.30 1.618034535e+01 8.683352189e+00 1.413032959e+01 1.621863239e+01 1.615491435e+01 4.636660752e+00 8.817671522e+00 1.469508812e+01 5.330790717e+00 8.835556292e+00 1.32 1.499325315e+01 7.874637221e+00 1.293434771e+01 1.504866979e+01 1.500634431e+01 4.150813905e+00 8.009019766e+00 1.359317966e+01 4.850394539e+00 8.106109652e+00 1.34 1.392320898e+01 7.137660098e+00 1.182847789e+01 1.397670348e+01 1.396306477e+01 3.694020923e+00 7.295592330e+00 1.254617316e+01 4.399234143e+00 7.457936605e+00 1.36 1.286683261e+01 6.457866087e+00 1.083847395e+01 1.290903893e+01 1.293246254e+01 3.285744078e+00 6.669531384e+00 1.155729506e+01 3.975757791e+00 6.851045816e+00 1.38 1.189060029e+01 5.829783556e+00 9.959223485e+00 1.190926644e+01 1.195938647e+01 2.930500155e+00 6.120954652e+00 1.062480599e+01 3.578108102e+00 6.305682748e+00 1.40 1.097405143e+01 5.238906634e+00 9.172698572e+00 1.096794577e+01 1.103109644e+01 2.626174538e+00 5.635604709e+00 9.735363346e+00 3.205974334e+00 5.812095305e+00 1.42 1.009325774e+01 4.683579355e+00 8.460362032e+00 1.007850541e+01 1.014521523e+01 2.369853840e+00 5.201022480e+00 8.885714116e+00 2.860824338e+00 5.356574397e+00 1.44 9.238495952e+00 4.173979221e+00 7.758206049e+00 9.231454972e+00 9.291808539e+00 2.086936123e+00 4.795369252e+00 8.083152784e+00 2.515900096e+00 4.927634055e+00 1.46 8.420327481e+00 3.719535060e+00 7.093479157e+00 8.432073776e+00 8.480873838e+00 1.833375967e+00 4.415517403e+00 7.343460911e+00 2.189920152e+00 4.521223726e+00 1.48 7.655084909e+00 3.327355513e+00 6.462488846e+00 7.686737692e+00 7.721102884e+00 1.602324589e+00 4.051211915e+00 6.680456852e+00 1.892761571e+00 4.134694039e+00 1.50 6.958104187e+00 2.999720168e+00 5.860852253e+00 7.001870499e+00 7.019837943e+00 1.381085577e+00 3.699049493e+00 6.100673566e+00 1.627955207e+00 3.764222959e+00 1.52 6.342085206e+00 2.726418139e+00 5.289630449e+00 6.385448671e+00 6.385517939e+00 1.161508376e+00 3.358623537e+00 5.602530871e+00 1.399355206e+00 3.404796179e+00 1.54 5.818006434e+00 2.488373130e+00 4.757053297e+00 5.844337001e+00 5.825255695e+00 9.425310145e-01 3.035164522e+00 5.173861943e+00 1.205139456e+00 3.054630080e+00 1.56 5.376146554e+00 2.269189874e+00 4.278017131e+00 5.373215558e+00 5.335828042e+00 7.300613494e-01 2.734119236e+00 4.787133579e+00 1.027312267e+00 2.718692098e+00 1.58 4.993459958e+00 2.054191971e+00 3.863688470e+00 4.958146316e+00 4.906395625e+00 5.293636364e-01 2.458682795e+00 4.423140771e+00 8.440959361e-01 2.402326434e+00 1.60 4.646784672e+00 1.834869586e+00 3.510781058e+00 4.583117316e+00 4.521552202e+00 3.440206218e-01 2.184503881e+00 4.072028748e+00 6.728419827e-01 2.110973713e+00 1.62 4.314481059e+00 1.609824711e+00 3.216070504e+00 4.234389243e+00 4.168737817e+00 1.799256562e-01 1.923696956e+00 3.728835696e+00 5.081572922e-01 1.850145157e+00 1.64 3.982001507e+00 1.382076623e+00 2.965795741e+00 3.900578970e+00 3.837083482e+00 3.709728969e-02 1.683682669e+00 3.395664192e+00 3.506972815e-01 1.624546754e+00 1.66 3.628359034e+00 1.158355067e+00 2.740858028e+00 3.556671277e+00 3.500312227e+00 -8.860060001e-02 1.458756907e+00 3.059896545e+00 2.036265064e-01 1.377333648e+00 1.68 3.278849426e+00 9.457602544e-01 2.525440757e+00 3.224099739e+00 3.179028722e+00 -2.014781704e-01 1.243996716e+00 2.739124301e+00 6.981297454e-02 1.157880424e+00 1.70 2.940647166e+00 7.505194235e-01 2.312176660e+00 2.907922787e+00 2.878621878e+00 -3.054129826e-01 1.036057319e+00 2.437593877e+00 -4.910288116e-02 9.639425974e-01 1.72 2.620257986e+00 5.787116938e-01 2.097692427e+00 2.611621271e+00 2.601967683e+00 -4.028457972e-01 8.344544308e-01 2.159320399e+00 -1.526853793e-01 7.891674538e-01 1.74 2.323367509e+00 4.341285220e-01 1.886256091e+00 2.337542907e+00 2.348829701e+00 -4.924209070e-01 6.423635499e-01 1.903106540e+00 -2.417962968e-01 6.273315364e-01 1.76 2.047632832e+00 3.178542058e-01 1.684330709e+00 2.082335349e+00 2.114028184e+00 -5.717834617e-01 4.640547198e-01 1.668243810e+00 -3.198102665e-01 4.725600325e-01 1.78 1.794715926e+00 2.298709681e-01 1.495806648e+00 1.846221723e+00 1.895454358e+00 -6.406675761e-01 3.028524853e-01 1.454953116e+00 -3.899198289e-01 3.262683485e-01 1.80 1.568886143e+00 1.661463501e-01 1.321252964e+00 1.631198363e+00 1.692287031e+00 -7.001711608e-01 1.601518782e-01 1.263467854e+00 -4.538595191e-01 1.946598416e-01 1.82 1.373699472e+00 1.208107401e-01 1.159954039e+00 1.439061516e+00 1.504021460e+00 -7.513960870e-01 3.805299718e-02 1.092888865e+00 -5.121236013e-01 8.335171073e-02 1.84 1.205925490e+00 8.650365565e-02 1.010044782e+00 1.267820663e+00 1.329654505e+00 -7.960675220e-01 -6.209032436e-02 9.398003568e-01 -5.648275650e-01 -8.781000332e-03 1.86 1.058749541e+00 5.647929825e-02 8.663463626e-01 1.112553416e+00 1.166357172e+00 -8.383610620e-01 -1.439945722e-01 8.011342280e-01 -6.132940135e-01 -8.639739151e-02 1.88 9.255479056e-01 2.551719292e-02 7.256382498e-01 9.685483437e-01 1.011548782e+00 -8.806369627e-01 -2.270960992e-01 6.736460117e-01 -6.585584590e-01 -1.543202992e-01 1.90 8.005577075e-01 -1.696863078e-02 5.880508711e-01 8.318529041e-01 8.631481008e-01 -9.228539432e-01 -2.937054974e-01 5.546168581e-01 -7.130743571e-01 -2.186197895e-01 1.92 6.790421782e-01 -9.230182173e-02 4.541005653e-01 6.993024250e-01 7.195626718e-01 -9.648392916e-01 -3.462995265e-01 4.422668298e-01 -7.724406897e-01 -2.848248442e-01 1.94 5.590806843e-01 -1.699522509e-01 3.243295635e-01 5.696764268e-01 5.802721694e-01 -1.006400019e+00 -3.878474463e-01 3.371302274e-01 -8.306969766e-01 -3.554960968e-01 1.96 4.429984052e-01 -2.477115170e-01 1.996797083e-01 4.445169460e-01 4.460354868e-01 -1.047133219e+00 -4.230798348e-01 2.415587900e-01 -8.879160308e-01 -4.285366042e-01 1.98 3.334069325e-01 -3.236504449e-01 8.349807023e-02 3.260697677e-01 3.187326029e-01 -1.085420540e+00 -4.562733168e-01 1.569251428e-01 -9.431245538e-01 -5.013536683e-01 2.00 2.329726916e-01 -3.960063365e-01 -2.012052388e-02 2.168554247e-01 2.007381577e-01 -1.119366240e+00 -4.897506179e-01 8.265612917e-02 -9.954795056e-01 -5.713125244e-01 2.02 1.444216866e-01 -4.627064979e-01 -1.227530031e-01 1.194397567e-01 9.445782677e-02 -1.147526273e+00 -5.250038368e-01 1.765132733e-02 -1.044301235e+00 -6.357377827e-01 2.04 6.968836287e-02 -5.220987879e-01 -2.238623292e-01 3.579377998e-02 1.899197088e-03 -1.168524798e+00 -5.632010791e-01 -3.944130614e-02 -1.089549292e+00 -6.923408101e-01 2.06 7.766781037e-03 -5.739800344e-01 -3.054048440e-01 -3.432370434e-02 -7.641418971e-02 -1.181051644e+00 -6.046424170e-01 -9.114857220e-02 -1.130368185e+00 -7.405009929e-01 2.08 -4.445591526e-02 -6.260657253e-01 -3.670831732e-01 -9.276235526e-02 -1.410687952e-01 -1.184097503e+00 -6.485479197e-01 -1.406869413e-01 -1.165996447e+00 -7.815482420e-01 2.10 -9.056428203e-02 -7.058354457e-01 -4.087737577e-01 -1.417425787e-01 -1.929208754e-01 -1.176772993e+00 -6.923478016e-01 -1.901628342e-01 -1.196016176e+00 -8.172800149e-01 2.12 -1.341438985e-01 -7.784145923e-01 -4.306701660e-01 -1.835615681e-01 -2.329792378e-01 -1.158348853e+00 -7.342977948e-01 -2.400592609e-01 -1.220548387e+00 -8.494719686e-01 2.14 -1.789071219e-01 -8.435393024e-01 -4.365453814e-01 -2.216929689e-01 -2.644788160e-01 -1.130029224e+00 -7.739101516e-01 -2.907199726e-01 -1.240017440e+00 -8.806516168e-01 2.16 -2.279051736e-01 -9.005888334e-01 -4.327064767e-01 -2.598644671e-01 -2.918237606e-01 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