# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Beland-L-K-Lu-C-Osetskiy-Y-N-et-al--Ni-Co # implementation = 2016--Beland-L-K--Ni-Co--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 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 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 nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 2.298301774e+05 nan 0.82 nan nan nan nan nan nan nan nan 2.046047239e+05 nan 0.84 nan nan nan nan nan nan nan nan 1.817756878e+05 nan 0.86 nan nan nan nan nan 1.237544132e+05 nan nan 1.610711048e+05 nan 0.88 nan nan nan nan nan 1.074637717e+05 nan nan 1.422126901e+05 nan 0.90 nan nan nan nan nan 9.251742405e+04 nan nan 1.249544008e+05 nan 0.92 nan nan nan nan nan 7.873314091e+04 nan nan 1.090948578e+05 nan 0.94 nan nan nan nan nan 6.600037420e+04 nan nan 9.451020389e+04 nan 0.96 nan nan nan nan nan 5.428085642e+04 nan nan 8.110425346e+04 nan 0.98 nan nan nan 2.398193614e+05 2.398200420e+05 4.353310956e+04 nan nan 6.881690433e+04 1.336774188e+05 1.00 nan 1.184589899e+05 nan 2.184808844e+05 2.184648681e+05 3.369488744e+04 1.219013079e+05 nan 5.756643434e+04 1.185919209e+05 1.02 nan 1.045258456e+05 nan 1.987774519e+05 1.987559058e+05 2.470410975e+04 1.078380672e+05 nan 4.725144031e+04 1.046109599e+05 1.04 nan 9.164980029e+04 nan 1.805610530e+05 1.805457581e+05 1.646207556e+04 9.482032383e+04 nan 3.775694623e+04 9.164341506e+04 1.06 nan 7.974062469e+04 nan 1.637003654e+05 1.637042186e+05 8.976314156e+03 8.271344808e+04 nan 2.896535714e+04 7.964052025e+04 1.08 nan 6.870192751e+04 nan 1.480648406e+05 1.480893906e+05 3.907641125e+03 7.144343961e+04 nan 2.077520231e+04 6.854295049e+04 1.10 nan 5.844816139e+04 nan 1.335481126e+05 1.335834452e+05 1.151768028e+03 6.095630842e+04 1.188109083e+05 1.311100147e+04 5.830167946e+04 1.12 1.199790920e+05 4.891934393e+04 1.001670279e+05 1.200568579e+05 1.200861247e+05 -5.259897601e+01 5.120308703e+04 1.061272983e+05 6.560685065e+03 4.885004754e+04 1.14 1.074494120e+05 4.004259497e+04 8.866752939e+04 1.074902499e+05 1.074962881e+05 -3.902109741e+02 4.216879753e+04 9.434166364e+04 2.570492190e+03 4.009530517e+04 1.16 9.580770372e+04 3.176268764e+04 7.798686940e+04 9.577638510e+04 9.575492952e+04 -3.618177062e+02 3.379740766e+04 8.335752040e+04 5.333007136e+02 3.194428265e+04 1.18 8.493982852e+04 2.403388752e+04 6.803219040e+04 8.484763607e+04 8.480192069e+04 -2.854817280e+02 2.603801543e+04 7.308239847e+04 -2.519143108e+02 2.430858068e+04 1.20 7.476168841e+04 1.680939058e+04 5.869511508e+04 7.463832481e+04 7.458222097e+04 -2.245798635e+02 1.883132123e+04 6.344260921e+04 -3.941003620e+02 1.711682585e+04 1.22 6.519359832e+04 1.006518777e+04 4.992732273e+04 6.508981390e+04 6.504552963e+04 -1.761759539e+02 1.209760925e+04 5.438334607e+04 -3.256275658e+02 1.032295270e+04 1.24 5.619196103e+04 5.028700153e+03 4.165430509e+04 5.614808300e+04 5.613224940e+04 -1.377321979e+02 6.450940382e+03 4.586805039e+04 -2.583167717e+02 5.135573517e+03 1.26 4.770486132e+04 1.990499523e+03 3.384191679e+04 4.775208912e+04 4.777277526e+04 -1.070224749e+02 2.854244597e+03 3.787594487e+04 -2.054308898e+02 2.005720905e+03 1.28 3.975800905e+04 4.066014880e+02 2.651460656e+04 3.987233908e+04 3.992725454e+04 -8.272665567e+01 8.291191839e+02 3.040334512e+04 -1.637330313e+02 3.861988548e+02 1.30 3.230376762e+04 -2.460005723e+02 1.963505395e+04 3.245766997e+04 3.253254987e+04 -6.351355296e+01 -9.969700934e+01 2.341830889e+04 -1.306336046e+02 -2.619521311e+02 1.32 2.533275980e+04 -3.908872273e+02 1.320741560e+04 2.548908181e+04 2.556775947e+04 -4.838317795e+01 -3.803429907e+02 1.690023587e+04 -1.041926080e+02 -3.938245122e+02 1.34 1.882965972e+04 -3.379907294e+02 7.561135502e+03 1.893574324e+04 1.899582320e+04 -3.645000505e+01 -3.622512672e+02 1.080608214e+04 -8.288943278e+01 -3.372446081e+02 1.36 1.274336246e+04 -2.721215039e+02 3.782714520e+03 1.277155994e+04 1.279608489e+04 -2.702467229e+01 -2.918542905e+02 5.958393370e+03 -6.549370493e+01 -2.737625679e+02 1.38 7.415669098e+03 -2.187465720e+02 1.492392486e+03 7.368940385e+03 7.354653860e+03 -1.952721526e+01 -2.351626175e+02 2.815304493e+03 -5.114508064e+01 -2.228212094e+02 1.40 3.799045799e+03 -1.753816683e+02 2.744618940e+02 3.723853109e+03 3.690816260e+03 -1.352173955e+01 -1.896534813e+02 9.573861780e+02 -3.925850143e+01 -1.818398138e+02 1.42 1.544947191e+03 -1.400992292e+02 -2.545068380e+02 1.483144166e+03 1.452046417e+03 -8.672929043e+00 -1.531133782e+02 1.924240082e+01 -2.943241558e+01 -1.485182407e+02 1.44 3.108547958e+02 -1.113995471e+02 -3.895462094e+02 2.770540374e+02 2.582127768e+02 -4.759074268e+00 -1.236673566e+02 -3.401235654e+02 -2.133361487e+01 -1.210962131e+02 1.46 -2.413831181e+02 -8.808535764e+01 -3.500617985e+02 -2.522163593e+02 -2.590806167e+02 -1.591683115e+00 -9.981523029e+01 -3.859170474e+02 -1.474685859e+01 -9.830444302e+01 1.48 -3.901724637e+02 -6.910393280e+01 -2.871841292e+02 -3.906395002e+02 -3.909887967e+02 9.154558585e-01 -8.033139882e+01 -3.239257212e+02 -9.452421784e+00 -7.931066260e+01 1.50 -3.544525368e+02 -5.367744721e+01 -2.344582218e+02 -3.540732742e+02 -3.533596602e+02 2.882897791e+00 -6.432190345e+01 -2.647565458e+02 -5.289478646e+00 -6.342548875e+01 1.52 -2.911037637e+02 -4.115372922e+01 -1.904493703e+02 -2.921079562e+02 -2.921772332e+02 4.382484881e+00 -5.110324553e+01 -2.158140018e+02 -2.103024490e+00 -5.015426751e+01 1.54 -2.383926516e+02 -3.106308327e+01 -1.539313106e+02 -2.402804922e+02 -2.409865342e+02 5.488816284e+00 -4.014047138e+01 -1.755066627e+02 2.462057181e-01 -3.904769851e+01 1.56 -1.948815482e+02 -2.295708086e+01 -1.238014857e+02 -1.971092420e+02 -1.982227833e+02 6.269314963e+00 -3.104142370e+01 -1.424144333e+02 1.906985088e+00 -2.980622100e+01 1.58 -1.589997021e+02 -1.651395636e+01 -9.904395987e+01 -1.612048638e+02 -1.625013315e+02 6.789311042e+00 -2.353578511e+01 -1.152981021e+02 3.012105991e+00 -2.211949102e+01 1.60 -1.295232734e+02 -1.146685799e+01 -7.886425317e+01 -1.313659297e+02 -1.326348394e+02 7.099416808e+00 -1.735999915e+01 -9.308186462e+01 3.675605711e+00 -1.577447227e+01 1.62 -1.052899099e+02 -7.619785796e+00 -6.249649041e+01 -1.066106567e+02 -1.077140206e+02 7.243575405e+00 -1.230499605e+01 -7.484613848e+01 4.001361972e+00 -1.057431069e+01 1.64 -8.532496148e+01 -4.757564152e+00 -4.928258886e+01 -8.608641639e+01 -8.692156656e+01 7.255534773e+00 -8.168115347e+00 -5.986429375e+01 4.090072829e+00 -6.359695528e+00 1.66 -6.887168718e+01 -2.625711916e+00 -3.864534099e+01 -6.908482358e+01 -6.960368904e+01 7.161690539e+00 -4.841659129e+00 -4.750536120e+01 4.046912179e+00 -2.997624533e+00 1.68 -5.523014669e+01 -1.088080136e+00 -3.010910965e+01 -5.501219558e+01 -5.522306607e+01 6.982397064e+00 -2.219790049e+00 -3.729197731e+01 3.911389903e+00 -3.742465043e-01 1.70 -4.389849262e+01 -4.694095449e-02 -2.327109223e+01 -4.337380863e+01 -4.331041569e+01 6.733020668e+00 -2.097985823e-01 -2.883762454e+01 3.710443703e+00 1.614549886e+00 1.72 -3.446895435e+01 5.896332101e-01 -1.780067862e+01 -3.376301382e+01 -3.348099149e+01 6.425623150e+00 1.272012998e+00 -2.185138063e+01 3.462071302e+00 3.055696799e+00 1.74 -2.661816647e+01 8.919846904e-01 -1.342967496e+01 -2.585342784e+01 -2.541942065e+01 6.069323046e+00 2.312631187e+00 -1.610714371e+01 3.179919480e+00 4.043469435e+00 1.76 -2.007906809e+01 9.308915520e-01 -9.879056828e+00 -1.935888351e+01 -1.884300680e+01 5.671239971e+00 2.981000437e+00 -1.140678794e+01 2.873229692e+00 4.656971301e+00 1.78 -1.469819685e+01 7.624385609e-01 -6.979706771e+00 -1.407476230e+01 -1.353843012e+01 5.237448075e+00 3.344565325e+00 -7.624372632e+00 2.547872738e+00 4.965838018e+00 1.80 -1.028141271e+01 4.500204031e-01 -4.634994282e+00 -9.797526644e+00 -9.295245725e+00 4.773258207e+00 3.461819506e+00 -4.621182127e+00 2.208780756e+00 5.036420902e+00 1.82 -6.710523555e+00 1.096334776e-01 -2.763751963e+00 -6.387678128e+00 -5.960995101e+00 4.283948667e+00 3.383812987e+00 -2.320397082e+00 1.858901325e+00 4.921348400e+00 1.84 -3.910824239e+00 -2.374641591e-01 -1.332642207e+00 -3.725485811e+00 -3.394048466e+00 3.775093671e+00 3.152678274e+00 -6.215396185e-01 1.500298826e+00 4.662046622e+00 1.86 -1.768565755e+00 -5.819125612e-01 -2.711830942e-01 -1.696731276e+00 -1.470597454e+00 3.252589919e+00 2.801362988e+00 5.532998200e-01 1.134388835e+00 4.293831192e+00 1.88 -2.054269947e-01 -9.199824237e-01 4.486855691e-01 -2.203917204e-01 -9.707782689e-02 2.722924132e+00 2.359832610e+00 1.271202393e+00 7.622949575e-01 3.843159976e+00 1.90 8.599779761e-01 -1.249490374e+00 8.743138434e-01 7.847495161e-01 8.185201160e-01 2.191824173e+00 1.858864856e+00 1.603447761e+00 3.849838465e-01 3.331472381e+00 1.92 1.484081412e+00 -1.568525448e+00 1.043061796e+00 1.377657678e+00 1.342429568e+00 1.664658882e+00 1.337671482e+00 1.610856558e+00 3.546426453e-03 2.773080842e+00 1.94 1.747879385e+00 -1.876735004e+00 9.956267103e-01 1.627673163e+00 1.544092294e+00 1.145653834e+00 8.066378054e-01 1.352410137e+00 -3.806203884e-01 2.182462411e+00 1.96 1.709039007e+00 -2.174386915e+00 7.694592344e-01 1.589250864e+00 1.477427318e+00 6.380044643e-01 2.728249476e-01 9.403565273e-01 -7.655584165e-01 1.569248955e+00 1.98 1.420725244e+00 -2.461594520e+00 4.020770658e-01 1.306900317e+00 1.184085137e+00 1.432931722e-01 -2.586403260e-01 4.703494774e-01 -1.148927027e+00 9.412145993e-01 2.00 9.319598534e-01 -2.738276497e+00 -7.566945189e-02 8.297794108e-01 7.093772948e-01 -3.376299311e-01 -7.835753464e-01 -3.982545504e-02 -1.528006720e+00 3.046903734e-01 2.02 3.709430302e-01 -2.992784160e+00 -5.770553148e-01 2.846746259e-01 1.758771771e-01 -7.742311379e-01 -1.268569247e+00 -5.460918257e-01 -1.876904262e+00 -2.902756347e-01 2.04 -1.530113358e-01 -3.215916944e+00 -1.034017444e+00 -2.227037357e-01 -3.140983591e-01 -1.143218942e+00 -1.688195432e+00 -1.011224354e+00 -2.175332585e+00 -8.046438706e-01 2.06 -6.390851463e-01 -3.410679868e+00 -1.448208878e+00 -6.933030571e-01 -7.655865483e-01 -1.454096352e+00 -2.050443036e+00 -1.436591167e+00 -2.427644394e+00 -1.249782672e+00 2.08 -1.086862880e+00 -3.579448772e+00 -1.822282916e+00 -1.126391192e+00 -1.179253096e+00 -1.715037114e+00 -2.362513610e+00 -1.822319617e+00 -2.637822092e+00 -1.635777678e+00 2.10 -1.495106343e+00 -3.724368776e+00 -2.158780945e+00 -1.522150688e+00 -1.557351379e+00 -1.933029641e+00 -2.630973538e+00 -2.169635369e+00 -2.809797566e+00 -1.971702198e+00 2.12 -1.868632055e+00 -3.847088947e+00 -2.462851785e+00 -1.883803907e+00 -1.903518108e+00 -2.114039829e+00 -2.861573058e+00 -2.481608380e+00 -2.947612626e+00 -2.264746354e+00 2.14 -2.205306163e+00 -3.949414477e+00 -2.736028179e+00 -2.211135548e+00 -2.218583218e+00 -2.263173991e+00 -3.059306398e+00 -2.759298431e+00 -3.055269264e+00 -2.521756461e+00 2.16 -2.507490342e+00 -4.032934173e+00 -2.981424770e+00 -2.506269268e+00 -2.504710680e+00 -2.384793659e+00 -3.228707953e+00 -3.005204124e+00 -3.136755614e+00 -2.747876508e+00 2.18 -2.777337563e+00 -4.099240880e+00 -3.201430512e+00 -2.771246667e+00 -2.763800726e+00 -2.482656675e+00 -3.373312091e+00 -3.221779537e+00 -3.195724879e+00 -2.946914793e+00 2.20 -3.016949276e+00 -4.149925284e+00 -3.397837493e+00 -3.008037745e+00 -2.997545300e+00 -2.560004409e+00 -3.496335441e+00 -3.411472569e+00 -3.235437504e+00 -3.121470931e+00 2.22 -3.228473546e+00 -4.186523047e+00 -3.572001613e+00 -3.218783436e+00 -3.207699076e+00 -2.619635885e+00 -3.600106013e+00 -3.576730340e+00 -3.258808314e+00 -3.273156134e+00 2.24 -3.414118369e+00 -4.210509513e+00 -3.725064650e+00 -3.405361884e+00 -3.395686453e+00 -2.663906663e+00 -3.686539158e+00 -3.719983289e+00 -3.268347872e+00 -3.402971448e+00 2.26 -3.576207815e+00 -4.222905085e+00 -3.857774497e+00 -3.569794652e+00 -3.562993211e+00 -2.695090142e+00 -3.757284864e+00 -3.843589278e+00 -3.266235070e+00 -3.511208806e+00 2.28 -3.717021261e+00 -4.224940185e+00 -3.971202628e+00 -3.713979090e+00 -3.710995924e+00 -2.714848484e+00 -3.813397450e+00 -3.949795725e+00 -3.254352615e+00 -3.598479365e+00 2.30 -3.838863572e+00 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