# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti # implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1 # composition = Co # 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 2024-03-01 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 nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan -6.820595029e+02 nan 0.76 nan nan nan nan nan nan nan nan -6.302139404e+02 nan 0.78 nan nan nan nan nan nan nan nan -5.842219972e+02 nan 0.80 nan nan nan nan nan -4.635634533e+02 nan nan -5.422637939e+02 nan 0.82 nan nan nan nan nan -4.289459641e+02 nan nan -5.024642684e+02 nan 0.84 nan nan nan nan nan -3.958173453e+02 nan nan -4.648008752e+02 nan 0.86 nan nan nan nan nan -3.647940613e+02 nan nan -4.301469633e+02 nan 0.88 nan nan nan nan nan -3.362407637e+02 nan nan -3.981618611e+02 nan 0.90 nan -5.029192630e+02 nan -7.248081913e+02 -7.261007648e+02 -3.108319942e+02 nan nan -3.687789169e+02 -5.102681695e+02 0.92 nan -4.692143686e+02 nan -6.752180698e+02 -6.758934632e+02 -2.879874041e+02 -4.818796891e+02 nan -3.423706712e+02 -4.771266928e+02 0.94 nan -4.387725904e+02 nan -6.304532332e+02 -6.305594974e+02 -2.660953446e+02 -4.523641833e+02 nan -3.185941603e+02 -4.447489593e+02 0.96 nan -4.114142784e+02 nan -5.901821645e+02 -5.899857133e+02 -2.447644977e+02 -4.242444854e+02 nan -2.966429830e+02 -4.134227331e+02 0.98 nan -3.862799602e+02 nan -5.532968527e+02 -5.527390853e+02 -2.246213695e+02 -3.966675177e+02 nan -2.761498143e+02 -3.847718941e+02 1.00 nan -3.627010180e+02 nan -5.192631132e+02 -5.181056624e+02 -2.057891319e+02 -3.698895980e+02 nan -2.573012706e+02 -3.589806571e+02 1.02 -4.888477120e+02 -3.405492464e+02 -4.477159946e+02 -4.884184155e+02 -4.867608989e+02 -1.880809701e+02 -3.447907941e+02 -4.617598089e+02 -2.399755849e+02 -3.354498896e+02 1.04 -4.622535836e+02 -3.196881004e+02 -4.234335162e+02 -4.606142395e+02 -4.589068810e+02 -1.713480987e+02 -3.217088590e+02 -4.361504220e+02 -2.238490669e+02 -3.141480644e+02 1.06 -4.371687357e+02 -3.000859122e+02 -4.005219858e+02 -4.348601536e+02 -4.334969622e+02 -1.556407691e+02 -3.008079449e+02 -4.113991288e+02 -2.087501768e+02 -2.950434109e+02 1.08 -4.125571679e+02 -2.817814890e+02 -3.791141691e+02 -4.106009423e+02 -4.099200555e+02 -1.411735692e+02 -2.822079966e+02 -3.871631362e+02 -1.946037153e+02 -2.772926907e+02 1.10 -3.884744135e+02 -2.645570916e+02 -3.586089663e+02 -3.879433796e+02 -3.881904040e+02 -1.278804588e+02 -2.653929012e+02 -3.637494458e+02 -1.812153106e+02 -2.603101142e+02 1.12 -3.653293558e+02 -2.482543061e+02 -3.382583763e+02 -3.667568984e+02 -3.679569062e+02 -1.154943585e+02 -2.494667183e+02 -3.417667181e+02 -1.684192163e+02 -2.445354414e+02 1.14 -3.436168981e+02 -2.331381742e+02 -3.180199441e+02 -3.464723155e+02 -3.484203500e+02 -1.041364436e+02 -2.341054616e+02 -3.215095383e+02 -1.560782370e+02 -2.303952829e+02 1.16 -3.235349031e+02 -2.194371936e+02 -2.981580297e+02 -3.267938627e+02 -3.291165435e+02 -9.412969402e+01 -2.197198278e+02 -3.029427781e+02 -1.441736318e+02 -2.176222799e+02 1.18 -3.051184027e+02 -2.070887747e+02 -2.792862900e+02 -3.079608560e+02 -3.101538108e+02 -8.568159284e+01 -2.067129840e+02 -2.860723303e+02 -1.327878522e+02 -2.056100717e+02 1.20 -2.886146704e+02 -1.956972301e+02 -2.621748667e+02 -2.904011904e+02 -2.919529682e+02 -7.879493118e+01 -1.950244919e+02 -2.709891563e+02 -1.219171858e+02 -1.938350483e+02 1.22 -2.740519430e+02 -1.847621198e+02 -2.469548689e+02 -2.743720824e+02 -2.749984036e+02 -7.321904143e+01 -1.842613504e+02 -2.573981076e+02 -1.113618022e+02 -1.821287608e+02 1.24 -2.608433820e+02 -1.739627062e+02 -2.331736125e+02 -2.597830199e+02 -2.594906390e+02 -6.840155376e+01 -1.740768622e+02 -2.446943269e+02 -1.009974130e+02 -1.706109539e+02 1.26 -2.482711173e+02 -1.632393251e+02 -2.205437768e+02 -2.463174149e+02 -2.452431669e+02 -6.386258463e+01 -1.643559106e+02 -2.323738284e+02 -9.088190970e+01 -1.593306628e+02 1.28 -2.358797088e+02 -1.527758801e+02 -2.091181423e+02 -2.335938793e+02 -2.319229086e+02 -5.948577214e+01 -1.550573054e+02 -2.202603971e+02 -8.122993020e+01 -1.481658440e+02 1.30 -2.236658506e+02 -1.426967656e+02 -1.987159122e+02 -2.214087501e+02 -2.193836419e+02 -5.532184891e+01 -1.460306116e+02 -2.083888785e+02 -7.229688609e+01 -1.370059939e+02 1.32 -2.117303721e+02 -1.329215589e+02 -1.889199473e+02 -2.097509401e+02 -2.077016954e+02 -5.139400614e+01 -1.369806470e+02 -1.968124217e+02 -6.422966406e+01 -1.258058181e+02 1.34 -2.001112720e+02 -1.234363803e+02 -1.793744042e+02 -1.986822029e+02 -1.969658171e+02 -4.757352193e+01 -1.275820473e+02 -1.856325454e+02 -5.697880505e+01 -1.146174276e+02 1.36 -1.889588597e+02 -1.143431838e+02 -1.701350580e+02 -1.882625484e+02 -1.871260813e+02 -4.376911896e+01 -1.176708964e+02 -1.750237161e+02 -5.043164526e+01 -1.037404596e+02 1.38 -1.783862541e+02 -1.056476888e+02 -1.614536973e+02 -1.784447823e+02 -1.779651088e+02 -4.004515209e+01 -1.073889273e+02 -1.650723790e+02 -4.449070510e+01 -9.357561170e+01 1.40 -1.683527598e+02 -9.727624500e+01 -1.533422703e+02 -1.690733006e+02 -1.692027500e+02 -3.650129812e+01 -9.709349841e+01 -1.557639595e+02 -3.911256332e+01 -8.445030941e+01 1.42 -1.588050749e+02 -8.923044936e+01 -1.454979546e+02 -1.600362320e+02 -1.606730845e+02 -3.312822356e+01 -8.714574974e+01 -1.470385023e+02 -3.430725139e+01 -7.645297596e+01 1.44 -1.499027330e+02 -8.167104576e+01 -1.376364783e+02 -1.513610389e+02 -1.523585454e+02 -2.985428476e+01 -7.776520374e+01 -1.388615904e+02 -3.004833605e+01 -6.943034026e+01 1.46 -1.418153955e+02 -7.460388423e+01 -1.296110887e+02 -1.430915876e+02 -1.442718298e+02 -2.654709382e+01 -6.903538523e+01 -1.311526908e+02 -2.624073790e+01 -6.305988776e+01 1.48 -1.344397684e+02 -6.780501250e+01 -1.214358838e+02 -1.351990278e+02 -1.363804765e+02 -2.307417208e+01 -6.095065529e+01 -1.237460928e+02 -2.279655915e+01 -5.707666675e+01 1.50 -1.274293545e+02 -6.101555698e+01 -1.132621740e+02 -1.276086906e+02 -1.286566801e+02 -1.939266592e+01 -5.351201626e+01 -1.164435899e+02 -1.966974859e+01 -5.140714487e+01 1.52 -1.203712347e+02 -5.418451335e+01 -1.052546586e+02 -1.202032679e+02 -1.210479458e+02 -1.554958817e+01 -4.674245018e+01 -1.091057286e+02 -1.682040102e+01 -4.607751676e+01 1.54 -1.130961785e+02 -4.747526457e+01 -9.749493641e+01 -1.129085070e+02 -1.135283170e+02 -1.202166656e+01 -4.059546253e+01 -1.017346968e+02 -1.418546854e+01 -4.111775396e+01 1.56 -1.057049793e+02 -4.105829994e+01 -8.989619404e+01 -1.056941707e+02 -1.060849038e+02 -9.175740094e+00 -3.494095843e+01 -9.439239076e+01 -1.186392355e+01 -3.654154986e+01 1.58 -9.836156281e+01 -3.496824241e+01 -8.225968056e+01 -9.852774953e+01 -9.868446038e+01 -6.895970031e+00 -2.965774261e+01 -8.709777767e+01 -9.927538726e+00 -3.235648399e+01 1.60 -9.113681345e+01 -2.911539608e+01 -7.442606592e+01 -9.137165629e+01 -9.128868745e+01 -5.072275340e+00 -2.470743537e+01 -7.982807480e+01 -8.293502699e+00 -2.855893677e+01 1.62 -8.396976044e+01 -2.338497743e+01 -6.642762678e+01 -8.417913392e+01 -8.387237686e+01 -3.644250440e+00 -2.015660799e+01 -7.253171796e+01 -6.916083298e+00 -2.507781048e+01 1.64 -7.680518010e+01 -1.774787592e+01 -5.849340619e+01 -7.695830858e+01 -7.648541480e+01 -2.571458124e+00 -1.611968207e+01 -6.524283338e+01 -5.766765140e+00 -2.183113548e+01 1.66 -6.968156445e+01 -1.229236501e+01 -5.088475420e+01 -6.979535234e+01 -6.926183735e+01 -1.793787333e+00 -1.266036103e+01 -5.805358496e+01 -4.816315915e+00 -1.878286353e+01 1.68 -6.263713203e+01 -7.825894320e+00 -4.373463247e+01 -6.274900877e+01 -6.228550009e+01 -1.230665092e+00 -9.975005814e+00 -5.105050695e+01 -4.028862098e+00 -1.591597775e+01 1.70 -5.570903835e+01 -4.602999558e+00 -3.704634712e+01 -5.583139662e+01 -5.554345293e+01 -8.010861673e-01 -8.049006179e+00 -4.428611754e+01 -3.374307070e+00 -1.323936377e+01 1.72 -4.892941879e+01 -2.531962577e+00 -3.082178534e+01 -4.903596742e+01 -4.896934126e+01 -4.358321473e-01 -6.640227209e+00 -3.777222654e+01 -2.839482070e+00 -1.095405297e+01 1.74 -4.234361306e+01 -1.326651292e+00 -2.509494196e+01 -4.239033504e+01 -4.252505824e+01 -1.609473293e-01 -5.589840470e+00 -3.152956256e+01 -2.423423050e+00 -9.053362062e+00 1.76 -3.602913157e+01 -7.061476901e-01 -1.988080640e+01 -3.596930307e+01 -3.623196456e+01 -5.564299697e-02 -4.793076350e+00 -2.561212989e+01 -2.121087992e+00 -7.485567512e+00 1.78 -3.003606933e+01 -4.717288058e-01 -1.511868730e+01 -2.984818934e+01 -3.015152713e+01 -6.871816830e-02 -4.176413508e+00 -2.007016694e+01 -1.912376158e+00 -6.201591851e+00 1.80 -2.437439160e+01 -4.830611983e-01 -1.071098621e+01 -2.408731714e+01 -2.436838252e+01 -1.331716345e-01 -3.693664568e+00 -1.492430470e+01 -1.766414077e+00 -5.142818091e+00 1.82 -1.903244008e+01 -6.433156138e-01 -6.960993914e+00 -1.873084594e+01 -1.896320621e+01 -2.007275670e-01 -3.312733516e+00 -1.019090036e+01 -1.652637112e+00 -4.255616099e+00 1.84 -1.402889399e+01 -8.858895655e-01 -4.259385391e+00 -1.381344642e+01 -1.399066099e+01 -2.580548214e-01 -3.007338386e+00 -6.331150415e+00 -1.555421014e+00 -3.511250416e+00 1.86 -9.412090905e+00 -1.164556513e+00 -2.411017423e+00 -9.346287922e+00 -9.458351816e+00 -3.096987988e-01 -2.756656695e+00 -3.695080999e+00 -1.516962275e+00 -2.900156519e+00 1.88 -5.812673193e+00 -1.450640035e+00 -1.231011172e+00 -5.859640350e+00 -5.885254608e+00 -3.614241811e-01 -2.549312731e+00 -1.983627063e+00 -1.577128059e+00 -2.417227840e+00 1.90 -3.381749305e+00 -1.733218715e+00 -5.461148731e-01 -3.451715711e+00 -3.408793410e+00 -4.188434297e-01 -2.382455619e+00 -9.469054058e-01 -1.710303627e+00 -2.050874953e+00 1.92 -1.811478408e+00 -2.009048538e+00 -2.087094309e-01 -1.852925827e+00 -1.762957576e+00 -4.860098218e-01 -2.259478447e+00 -3.824304479e-01 -1.875590899e+00 -1.784692541e+00 1.94 -8.538709476e-01 -2.272991675e+00 -1.110295235e-01 -8.541812637e-01 -7.389594424e-01 -5.648019482e-01 -2.184722281e+00 -1.358321879e-01 -2.036644388e+00 -1.603960132e+00 1.96 -3.290867083e-01 -2.517500576e+00 -1.795459865e-01 -2.934834467e-01 -1.696082404e-01 -6.545594934e-01 -2.158152156e+00 -9.950307683e-02 -2.172027061e+00 -1.497533134e+00 1.98 -1.078924652e-01 -2.736557062e+00 -3.593674396e-01 -4.409355927e-02 7.849659862e-02 -7.533045330e-01 -2.172650095e+00 -1.994907201e-01 -2.284375077e+00 -1.452278724e+00 2.00 -8.875375337e-02 -2.929971827e+00 -6.091145176e-01 -5.457220603e-03 1.092508057e-01 -8.589891254e-01 -2.216197878e+00 -3.862051081e-01 -2.380545863e+00 -1.449245535e+00 2.02 -1.975933830e-01 -3.101734830e+00 -8.986490146e-01 -1.050522700e-01 -3.588625016e-03 -9.698425804e-01 -2.273915879e+00 -6.290003616e-01 -2.466315044e+00 -1.466210286e+00 2.04 -3.843125145e-01 -3.256941911e+00 -1.207951718e+00 -2.943015990e-01 -2.104883251e-01 -1.084496948e+00 -2.332528207e+00 -9.088901423e-01 -2.545662494e+00 -1.519741893e+00 2.06 -6.189477087e-01 -3.399805811e+00 -1.524136573e+00 -5.424359945e-01 -4.787023752e-01 -1.201858537e+00 -2.405266529e+00 -1.212781213e+00 -2.620045700e+00 -1.660154854e+00 2.08 -8.863013845e-01 -3.532422057e+00 -1.838605717e+00 -8.300894086e-01 -7.862900828e-01 -1.320572413e+00 -2.518799579e+00 -1.529261121e+00 -2.688947800e+00 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