# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2008--Do-E-C-Shin-Y-H-Lee-B-J--In # implementation = 2008--Do-E-C--In--LAMMPS--ipr1 # composition = In # 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 2.085517061e+02 nan nan nan nan 0.74 nan nan nan nan nan 1.982196370e+02 nan nan nan nan 0.76 nan nan nan nan nan 1.883610191e+02 nan nan 2.531976595e+02 nan 0.78 nan nan nan nan nan 1.789552241e+02 nan nan 2.395940697e+02 nan 0.80 nan nan nan nan nan 1.699824893e+02 nan nan 2.266833532e+02 nan 0.82 nan nan nan nan nan 1.614238820e+02 nan nan 2.144311893e+02 nan 0.84 nan 4.790984706e+02 nan nan nan 1.532612661e+02 2.532045856e+02 nan 2.028049274e+02 2.516697101e+02 0.86 nan 4.535442084e+02 nan nan nan 1.454772694e+02 2.404533067e+02 nan 1.917735072e+02 2.393251304e+02 0.88 nan 4.292911892e+02 nan nan nan 1.380552523e+02 2.283011619e+02 nan 1.813073817e+02 2.275436157e+02 0.90 nan 4.062751670e+02 nan nan nan 1.309792782e+02 2.167212002e+02 nan 1.713784449e+02 2.163006605e+02 0.92 nan 3.844349896e+02 3.521491376e+02 nan nan 1.242340844e+02 2.056876447e+02 4.581437415e+02 1.619599620e+02 2.055727884e+02 0.94 4.563398266e+02 3.637124535e+02 3.349299912e+02 4.563476863e+02 4.563555459e+02 1.178050548e+02 1.951758426e+02 4.361398504e+02 1.530265039e+02 1.953375104e+02 0.96 4.348446496e+02 3.440521640e+02 3.185051910e+02 4.348525075e+02 4.348603655e+02 1.116781929e+02 1.851622175e+02 4.151380134e+02 1.445538839e+02 1.855732839e+02 0.98 4.143092125e+02 3.254014034e+02 3.028394483e+02 4.143170683e+02 4.143249242e+02 1.058400969e+02 1.756242236e+02 3.950942468e+02 1.365190979e+02 1.762594748e+02 1.00 3.946922242e+02 3.077100038e+02 2.878989978e+02 3.947000777e+02 3.947079311e+02 1.002779351e+02 1.665403017e+02 3.759664403e+02 1.289002677e+02 1.673763195e+02 1.02 3.759541174e+02 2.909302269e+02 2.736515327e+02 3.759619681e+02 3.759698188e+02 9.497942203e+01 1.578898375e+02 3.577142795e+02 1.216765861e+02 1.589048902e+02 1.04 3.580569780e+02 2.750166485e+02 2.600661435e+02 3.580648256e+02 3.580726732e+02 8.993279661e+01 1.496531208e+02 3.402991711e+02 1.148282658e+02 1.508270599e+02 1.06 3.409644780e+02 2.599260494e+02 2.471132591e+02 3.409723221e+02 3.409801663e+02 8.512680004e+01 1.418113073e+02 3.236841712e+02 1.083364896e+02 1.431254699e+02 1.08 3.246418111e+02 2.456173103e+02 2.347645900e+02 3.246496514e+02 3.246574917e+02 8.055065520e+01 1.343463813e+02 3.078339171e+02 1.021833641e+02 1.357834980e+02 1.10 3.090556302e+02 2.320513121e+02 2.229930745e+02 3.090634662e+02 3.090713023e+02 7.619404677e+01 1.272411205e+02 2.927145612e+02 9.635187433e+01 1.287852284e+02 1.12 2.941739882e+02 2.191908411e+02 2.117728262e+02 2.941818197e+02 2.941896512e+02 7.204710208e+01 1.204790617e+02 2.782937076e+02 9.082584188e+01 1.221154226e+02 1.14 2.799662809e+02 2.070004979e+02 2.010790845e+02 2.799741074e+02 2.799819340e+02 6.810037273e+01 1.140444686e+02 2.645403518e+02 8.558988402e+01 1.157594915e+02 1.16 2.664031916e+02 1.954466114e+02 1.908881670e+02 2.664110128e+02 2.664188340e+02 6.434481707e+01 1.079223004e+02 2.514248223e+02 8.062937530e+01 1.097034685e+02 1.18 2.534566388e+02 1.844971561e+02 1.811774234e+02 2.534644543e+02 2.534722698e+02 6.077178320e+01 1.020981820e+02 2.389187250e+02 7.593041083e+01 1.039339836e+02 1.20 2.410997255e+02 1.741216737e+02 1.719251920e+02 2.411075349e+02 2.411153443e+02 5.737299285e+01 9.655837516e+01 2.269948898e+02 7.147977129e+01 9.843823925e+01 1.22 2.293066906e+02 1.642911979e+02 1.631107572e+02 2.293144935e+02 2.293222963e+02 5.414052575e+01 9.128975151e+01 2.156273190e+02 6.726488971e+01 9.320398618e+01 1.24 2.180528621e+02 1.549781836e+02 1.547143098e+02 2.180606580e+02 2.180684539e+02 5.106680471e+01 8.627976589e+01 2.047911382e+02 6.327381978e+01 8.821950084e+01 1.26 2.073146124e+02 1.461564381e+02 1.467169080e+02 2.073224010e+02 2.073301896e+02 4.814458134e+01 8.151643136e+01 1.944625492e+02 5.949520567e+01 8.347356360e+01 1.28 1.970693157e+02 1.378010571e+02 1.391004403e+02 1.970770965e+02 1.970848774e+02 4.536692224e+01 7.698829506e+01 1.846187848e+02 5.591825334e+01 7.895543772e+01 1.30 1.872953060e+02 1.298883622e+02 1.318475905e+02 1.873030787e+02 1.873108514e+02 4.272719584e+01 7.268441510e+01 1.752380652e+02 5.253270321e+01 7.465484934e+01 1.32 1.779718381e+02 1.223958423e+02 1.249418034e+02 1.779796023e+02 1.779873664e+02 4.021905978e+01 6.859433851e+01 1.662995563e+02 4.932880414e+01 7.056196816e+01 1.34 1.690790496e+02 1.153020974e+02 1.183672522e+02 1.690868047e+02 1.690945598e+02 3.783644869e+01 6.470807999e+01 1.577833302e+02 4.629728867e+01 6.666738892e+01 1.36 1.605979238e+02 1.085867852e+02 1.121088075e+02 1.606056695e+02 1.606134152e+02 3.557356264e+01 6.101610166e+01 1.496703264e+02 4.342934940e+01 6.296211370e+01 1.38 1.525102555e+02 1.022305700e+02 1.061520074e+02 1.525179913e+02 1.525257272e+02 3.342485590e+01 5.750929364e+01 1.419423158e+02 4.071661663e+01 5.943753483e+01 1.40 1.447986169e+02 9.621507419e+01 1.004830287e+02 1.448063424e+02 1.448140679e+02 3.138502624e+01 5.417895541e+01 1.345818647e+02 3.815113693e+01 5.608541859e+01 1.42 1.374463254e+02 9.052283208e+01 9.508865958e+01 1.374540401e+02 1.374617549e+02 2.944900467e+01 5.101677803e+01 1.275723017e+02 3.572535283e+01 5.289788954e+01 1.44 1.304374129e+02 8.513724556e+01 8.995627329e+01 1.304451164e+02 1.304528199e+02 2.761194560e+01 4.801482707e+01 1.208976851e+02 3.343208346e+01 4.986741543e+01 1.46 1.237565958e+02 8.004254227e+01 8.507380300e+01 1.237642877e+02 1.237719795e+02 2.586921731e+01 4.516552627e+01 1.145427719e+02 3.126450617e+01 4.698679284e+01 1.48 1.173892469e+02 7.522373557e+01 8.042971762e+01 1.173969266e+02 1.174046064e+02 2.421639297e+01 4.246164189e+01 1.084929882e+02 2.921613892e+01 4.424913329e+01 1.50 1.113213677e+02 7.066658635e+01 7.601299875e+01 1.113290348e+02 1.113367019e+02 2.264924191e+01 3.989626774e+01 1.027344005e+02 2.728082370e+01 4.164785002e+01 1.52 1.055395624e+02 6.635756679e+01 7.181311850e+01 1.055472164e+02 1.055548704e+02 2.116372127e+01 3.746281085e+01 9.725368869e+01 2.545271054e+01 3.917664520e+01 1.54 1.000310126e+02 6.228382571e+01 6.782001833e+01 1.000386530e+02 1.000462935e+02 1.975596800e+01 3.515497774e+01 9.203811969e+01 2.372624249e+01 3.682949777e+01 1.56 9.478345318e+01 5.843315563e+01 6.402408869e+01 9.479107959e+01 9.479870600e+01 1.842229125e+01 3.296676126e+01 8.707552236e+01 2.209614118e+01 3.460065172e+01 1.58 8.978514943e+01 5.479396143e+01 6.041614962e+01 8.979276130e+01 8.980037317e+01 1.715916496e+01 3.089242803e+01 8.235426352e+01 2.055739319e+01 3.248460484e+01 1.60 8.502487444e+01 5.135523041e+01 5.698743208e+01 8.503247128e+01 8.504006811e+01 1.596322084e+01 2.892650639e+01 7.786322490e+01 1.910523695e+01 3.047609798e+01 1.62 8.049188802e+01 4.810650388e+01 5.372956014e+01 8.049946931e+01 8.050705061e+01 1.483124160e+01 2.706377485e+01 7.359178103e+01 1.773515042e+01 2.857010470e+01 1.64 7.617591620e+01 4.503785000e+01 5.063453387e+01 7.618348144e+01 7.619104669e+01 1.376015448e+01 2.529925111e+01 6.952977811e+01 1.644283928e+01 2.676182141e+01 1.66 7.206713165e+01 4.213983802e+01 4.769471300e+01 7.207468033e+01 7.208222901e+01 1.274702508e+01 2.362818142e+01 6.566751373e+01 1.522422568e+01 2.504665782e+01 1.68 6.815613487e+01 3.940351366e+01 4.490280125e+01 6.816366647e+01 6.817119806e+01 1.178905134e+01 2.204603056e+01 6.199571744e+01 1.407543761e+01 2.342022789e+01 1.70 6.443393616e+01 3.682037577e+01 4.225183129e+01 6.444145015e+01 6.444896413e+01 1.088355788e+01 2.054847209e+01 5.850553212e+01 1.299279870e+01 2.187834108e+01 1.72 6.089193833e+01 3.438235397e+01 3.973515043e+01 6.089943418e+01 6.090693002e+01 1.002799053e+01 1.913137913e+01 5.518849618e+01 1.197281858e+01 2.041699398e+01 1.74 5.752192012e+01 3.208178752e+01 3.734640681e+01 5.752939729e+01 5.753687446e+01 9.219911090e+00 1.779081550e+01 5.203652642e+01 1.101218369e+01 1.903236233e+01 1.76 5.431602031e+01 2.991140509e+01 3.507953631e+01 5.432347825e+01 5.433093619e+01 8.456992289e+00 1.652302723e+01 4.904190172e+01 1.010774854e+01 1.772079328e+01 1.78 5.126672242e+01 2.786430552e+01 3.292874983e+01 5.127416058e+01 5.128159875e+01 7.737013003e+00 1.532443446e+01 4.619724732e+01 9.256527348e+00 1.647879806e+01 1.80 4.836684015e+01 2.593393958e+01 3.088852132e+01 4.837425799e+01 4.838167582e+01 7.057853629e+00 1.419162365e+01 4.349551981e+01 8.455686167e+00 1.530304490e+01 1.82 4.560950336e+01 2.411409250e+01 2.895357618e+01 4.561690029e+01 4.562429723e+01 6.417491672e+00 1.312134021e+01 4.092999274e+01 7.702535339e+00 1.419035228e+01 1.84 4.298814455e+01 2.239886744e+01 2.711888021e+01 4.299552002e+01 4.300289549e+01 5.813997508e+00 1.211048132e+01 3.849424284e+01 6.994522332e+00 1.313768242e+01 1.86 4.049648610e+01 2.078266967e+01 2.537962902e+01 4.050383952e+01 4.051119295e+01 5.245530335e+00 1.115608921e+01 3.618213681e+01 6.329224929e+00 1.214213511e+01 1.88 3.812852779e+01 1.926019161e+01 2.373123787e+01 3.813585859e+01 3.814318939e+01 4.710334284e+00 1.025534460e+01 3.398781868e+01 5.704344746e+00 1.120094168e+01 1.90 3.587853504e+01 1.782639851e+01 2.216933203e+01 3.588584263e+01 3.589315022e+01 4.206734700e+00 9.405560497e+00 3.190569774e+01 5.117701068e+00 1.031145937e+01 1.92 3.374102755e+01 1.647651486e+01 2.068973745e+01 3.374831133e+01 3.375559511e+01 3.733134581e+00 8.604176270e+00 2.993043686e+01 4.567224987e+00 9.471165817e+00 1.94 3.171076839e+01 1.520601147e+01 1.928847188e+01 3.171802775e+01 3.172528712e+01 3.288011155e+00 7.848751922e+00 2.805694148e+01 4.050953829e+00 8.677653821e+00 1.96 2.978275357e+01 1.401059316e+01 1.796173639e+01 2.978998791e+01 2.979722225e+01 2.869912618e+00 7.136962672e+00 2.628034893e+01 3.567025844e+00 7.928626338e+00 1.98 2.795220207e+01 1.288618704e+01 1.670590721e+01 2.795941078e+01 2.796661948e+01 2.477455002e+00 6.466593737e+00 2.459601825e+01 3.113675170e+00 7.221891663e+00 2.00 2.621454626e+01 1.182893142e+01 1.551752795e+01 2.622172871e+01 2.622891115e+01 2.109319170e+00 5.835535366e+00 2.299952045e+01 2.689227034e+00 6.555358825e+00 2.02 2.456542270e+01 1.083516513e+01 1.439330217e+01 2.457257825e+01 2.457973381e+01 1.764247951e+00 5.241778070e+00 2.148662920e+01 2.292093194e+00 5.927033177e+00 2.04 2.300066333e+01 9.901417532e+00 1.333008623e+01 2.300779136e+01 2.301491939e+01 1.441043386e+00 4.683408076e+00 2.005331184e+01 1.920767598e+00 5.335012167e+00 2.06 2.151628709e+01 9.024398879e+00 1.232488247e+01 2.152338694e+01 2.153048680e+01 1.138564099e+00 4.158602972e+00 1.869572091e+01 1.573822266e+00 4.777481293e+00 2.08 2.010849178e+01 8.200991222e+00 1.137483270e+01 2.011556282e+01 2.012263386e+01 8.557227703e-01 3.665627549e+00 1.741018588e+01 1.249903364e+00 4.252710226e+00 2.10 1.877364637e+01 7.428239735e+00 1.047721195e+01 1.878068793e+01 1.878772949e+01 5.914837315e-01 3.202829819e+00 1.619320540e+01 9.477274812e-01 3.759049096e+00 2.12 1.750828357e+01 6.703344473e+00 9.629422498e+00 1.751529498e+01 1.752230640e+01 3.448606489e-01 2.768637216e+00 1.504143971e+01 6.660780829e-01 3.294924939e+00 2.14 1.630909268e+01 6.023652531e+00 8.828988173e+00 1.631607328e+01 1.632305388e+01 1.149143157e-01 2.361552960e+00 1.395170353e+01 4.038021414e-01 2.858838292e+00 2.16 1.517291287e+01 5.386650591e+00 8.073548867e+00 1.517986198e+01 1.518681108e+01 -9.924946498e-02 1.980152578e+00 1.292095918e+01 1.598069331e-01 2.449359937e+00 2.18 1.409672659e+01 4.789957835e+00 7.360855330e+00 1.410364351e+01 1.411056043e+01 -2.984819057e-01 1.623080587e+00 1.194630997e+01 -6.694300699e-02 2.065127774e+00 2.20 1.307765333e+01 4.231319205e+00 6.688764162e+00 1.308453738e+01 1.309142142e+01 -4.835931725e-01 1.289047319e+00 1.102499396e+01 -2.774287796e-01 1.704843843e+00 2.22 1.211294369e+01 3.708599006e+00 6.055233042e+00 1.211979416e+01 1.212664462e+01 -6.553542403e-01 9.768258839e-01 1.015437789e+01 -4.725798733e-01 1.367271456e+00 2.24 1.119997359e+01 3.219774807e+00 5.458316151e+00 1.120678976e+01 1.121360594e+01 -8.144986670e-01 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