# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2001--Lee-B-J-Baskes-M-I-Kim-H-Cho-Y-K--Mo # implementation = 2001--Lee-B-J--Mo--LAMMPS--ipr1 # composition = Mo # 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 3.600748885e+02 nan nan nan nan 0.66 nan nan nan nan nan 3.414718888e+02 nan nan nan nan 0.68 nan nan nan nan nan 3.237425740e+02 nan nan 5.593804274e+02 nan 0.70 nan nan nan nan nan 3.068486105e+02 nan nan 5.265156423e+02 nan 0.72 nan nan nan nan nan 2.907532438e+02 nan nan 4.954533160e+02 nan 0.74 nan nan nan nan nan 2.754212399e+02 nan nan 4.660988489e+02 nan 0.76 nan 1.259566286e+03 nan nan nan 2.608188272e+02 8.445375017e+02 nan 4.383624354e+02 5.799458679e+02 0.78 nan 1.183979569e+03 nan nan nan 2.469136409e+02 7.958854286e+02 nan 4.121588301e+02 5.484877706e+02 0.80 nan 1.112664608e+03 nan nan nan 2.336746686e+02 7.498707750e+02 nan 3.874071243e+02 5.186205446e+02 0.82 nan 1.045389165e+03 1.242804893e+03 nan nan 2.210721970e+02 7.063558103e+02 1.186662021e+03 3.640305333e+02 4.902671597e+02 0.84 1.174851348e+03 9.819332892e+02 1.174120204e+03 1.174848295e+03 1.174845242e+03 2.090777617e+02 6.652098115e+02 1.123224481e+03 3.419561929e+02 4.633541995e+02 0.86 1.113245643e+03 9.220886814e+02 1.109010799e+03 1.113242501e+03 1.113239360e+03 1.976640973e+02 6.263087136e+02 1.062968493e+03 3.211149662e+02 4.378116969e+02 0.88 1.054668998e+03 8.656580895e+02 1.047297594e+03 1.054665766e+03 1.054662534e+03 1.868050898e+02 5.895347779e+02 1.005741114e+03 3.014412592e+02 4.135729766e+02 0.90 9.989787159e+02 8.124547334e+02 9.888102423e+02 9.989753910e+02 9.989720661e+02 1.764757313e+02 5.547762762e+02 9.513965331e+02 2.828728448e+02 3.905745046e+02 0.92 9.460386171e+02 7.623017604e+02 9.333867106e+02 9.460351969e+02 9.460317767e+02 1.666520754e+02 5.219271907e+02 8.997957478e+02 2.653506959e+02 3.687557447e+02 0.94 8.957187521e+02 7.150317288e+02 8.808728833e+02 8.957152341e+02 8.957117162e+02 1.573111946e+02 4.908869277e+02 8.508062526e+02 2.488188261e+02 3.480590210e+02 0.96 8.478951210e+02 6.704861173e+02 8.311221830e+02 8.478915028e+02 8.478878846e+02 1.484311397e+02 4.615600469e+02 8.043017418e+02 2.332241377e+02 3.284293858e+02 0.98 8.024494078e+02 6.285148600e+02 7.839952087e+02 8.024456868e+02 8.024419658e+02 1.399908998e+02 4.338560023e+02 7.601618267e+02 2.185162775e+02 3.098144949e+02 1.00 7.592687260e+02 5.889759052e+02 7.393593924e+02 7.592648996e+02 7.592610732e+02 1.319703650e+02 4.076888969e+02 7.182717642e+02 2.046474994e+02 2.921644870e+02 1.02 7.182453752e+02 5.517347969e+02 6.970886706e+02 7.182414407e+02 7.182375062e+02 1.243502892e+02 3.829772492e+02 6.785221987e+02 1.915725338e+02 2.754318696e+02 1.04 6.792766082e+02 5.166642778e+02 6.570631718e+02 6.792725630e+02 6.792685177e+02 1.171122557e+02 3.596437714e+02 6.408089152e+02 1.792484629e+02 2.595714090e+02 1.06 6.422644092e+02 4.836439124e+02 6.191689192e+02 6.422602505e+02 6.422560917e+02 1.102386429e+02 3.376151577e+02 6.050326030e+02 1.676346021e+02 2.445400262e+02 1.08 6.071152809e+02 4.525597301e+02 5.832975467e+02 6.071110057e+02 6.071067306e+02 1.037125918e+02 3.168218843e+02 5.710986313e+02 1.566923881e+02 2.302966967e+02 1.10 5.737400414e+02 4.233038861e+02 5.493460293e+02 5.737356470e+02 5.737312527e+02 9.751797505e+01 2.971980184e+02 5.389168337e+02 1.463852708e+02 2.168023551e+02 1.12 5.420536304e+02 3.957743401e+02 5.172164251e+02 5.420491140e+02 5.420445975e+02 9.163936695e+01 2.786810367e+02 5.084013032e+02 1.366786122e+02 2.040198045e+02 1.14 5.119749234e+02 3.698745515e+02 4.868156305e+02 5.119702819e+02 5.119656404e+02 8.606201431e+01 2.612116535e+02 4.794701959e+02 1.275395891e+02 1.919136289e+02 1.16 4.834265541e+02 3.455131899e+02 4.580551469e+02 4.834217845e+02 4.834170149e+02 8.077180888e+01 2.447336564e+02 4.520455443e+02 1.189371009e+02 1.804501108e+02 1.18 4.563347451e+02 3.226038616e+02 4.308508574e+02 4.563298443e+02 4.563249436e+02 7.575526070e+01 2.291937510e+02 4.260530778e+02 1.108416822e+02 1.695971515e+02 1.20 4.306291458e+02 3.010648488e+02 4.051228161e+02 4.306241108e+02 4.306190758e+02 7.099947248e+01 2.145414128e+02 4.014220529e+02 1.032254194e+02 1.593241956e+02 1.22 4.062426777e+02 2.808188636e+02 3.807950450e+02 4.062375054e+02 4.062323330e+02 6.649211502e+01 2.007287468e+02 3.780850897e+02 9.606187137e+01 1.496021589e+02 1.24 3.831113862e+02 2.617928138e+02 3.577953429e+02 3.831060732e+02 3.831007602e+02 6.222140354e+01 1.877103536e+02 3.559780167e+02 8.932599453e+01 1.404033595e+02 1.26 3.611742988e+02 2.439175812e+02 3.360551014e+02 3.611688420e+02 3.611633852e+02 5.817607498e+01 1.754432028e+02 3.350397220e+02 8.299407098e+01 1.317014519e+02 1.28 3.403732908e+02 2.271278114e+02 3.155091312e+02 3.403676868e+02 3.403620829e+02 5.434536627e+01 1.638865121e+02 3.152120117e+02 7.704364072e+01 1.234713640e+02 1.30 3.206529553e+02 2.113617148e+02 2.960954955e+02 3.206472009e+02 3.206414464e+02 5.071899333e+01 1.530016329e+02 2.964394746e+02 7.145343701e+01 1.156892382e+02 1.32 3.019604801e+02 1.965608769e+02 2.777553522e+02 3.019545718e+02 3.019486635e+02 4.728713102e+01 1.427519413e+02 2.786693527e+02 6.620332501e+01 1.083323729e+02 1.34 2.842455297e+02 1.826700795e+02 2.604328031e+02 2.842394642e+02 2.842333986e+02 4.404039379e+01 1.331027350e+02 2.618514183e+02 6.127424346e+01 1.013791692e+02 1.36 2.674601326e+02 1.696371309e+02 2.440747505e+02 2.674539063e+02 2.674476800e+02 4.096981723e+01 1.240211347e+02 2.459378558e+02 5.664814933e+01 9.480907814e+01 1.38 2.515585733e+02 1.574127049e+02 2.286307606e+02 2.515521828e+02 2.515457923e+02 3.806684022e+01 1.154759908e+02 2.308831498e+02 5.230796518e+01 8.860255143e+01 1.40 2.364972900e+02 1.459501877e+02 2.140529336e+02 2.364907317e+02 2.364841735e+02 3.532328793e+01 1.074377951e+02 2.166439775e+02 4.823752927e+01 8.274099409e+01 1.42 2.222347757e+02 1.352055338e+02 2.002957797e+02 2.222280461e+02 2.222213165e+02 3.273135544e+01 9.987859628e+01 2.031791063e+02 4.442154801e+01 7.720671926e+01 1.44 2.087314845e+02 1.251371283e+02 1.873161013e+02 2.087245800e+02 2.087176755e+02 3.028359195e+01 9.277192017e+01 1.904492964e+02 4.084555098e+01 7.198290521e+01 1.46 1.959497418e+02 1.157056574e+02 1.750728806e+02 1.959426587e+02 1.959355757e+02 2.797288581e+01 8.609269368e+01 1.784172072e+02 3.749584813e+01 6.705355427e+01 1.48 1.838536586e+02 1.068739849e+02 1.635271731e+02 1.838463934e+02 1.838391282e+02 2.579245001e+01 7.981717274e+01 1.670473086e+02 3.435948915e+01 6.240345370e+01 1.50 1.724090498e+02 9.860703548e+01 1.526420053e+02 1.724015987e+02 1.723941476e+02 2.373580833e+01 7.392287387e+01 1.563057960e+02 3.142422493e+01 5.801813838e+01 1.52 1.615833554e+02 9.087168427e+01 1.423822784e+02 1.615757148e+02 1.615680741e+02 2.179678200e+01 6.838850911e+01 1.461605091e+02 2.867847091e+01 5.388385518e+01 1.54 1.513455663e+02 8.363665175e+01 1.327146758e+02 1.513377325e+02 1.513298986e+02 1.996947697e+01 6.319392432e+01 1.365808548e+02 2.611127240e+01 4.998752901e+01 1.56 1.416661529e+02 7.687240458e+01 1.236075754e+02 1.416581221e+02 1.416500913e+02 1.824827169e+01 5.832004056e+01 1.275377332e+02 2.371227153e+01 4.631673055e+01 1.58 1.325169965e+02 7.055106142e+01 1.150309660e+02 1.325087651e+02 1.325005336e+02 1.662780536e+01 5.374879847e+01 1.190034677e+02 2.147167602e+01 4.285964531e+01 1.60 1.238713246e+02 6.464630375e+01 1.069563680e+02 1.238628888e+02 1.238544530e+02 1.510296671e+01 4.946310542e+01 1.109517371e+02 1.938022942e+01 3.960504427e+01 1.62 1.157036486e+02 5.913329145e+01 9.935675753e+01 1.156950047e+02 1.156863608e+02 1.366888319e+01 4.544678534e+01 1.033575122e+02 1.742918297e+01 3.654225585e+01 1.64 1.079897041e+02 5.398858268e+01 9.220649456e+01 1.079808484e+02 1.079719928e+02 1.232091068e+01 4.168453116e+01 9.619699416e+01 1.561026882e+01 3.366113914e+01 1.66 1.007063948e+02 4.919005816e+01 8.548125422e+01 1.006973237e+02 1.006882525e+02 1.105462356e+01 3.816185963e+01 8.944755660e+01 1.391567468e+01 3.095205850e+01 1.68 9.383173780e+01 4.471684929e+01 7.915796172e+01 9.382244757e+01 9.381315735e+01 9.865805285e+00 3.486506840e+01 8.308768979e+01 1.233801976e+01 2.840585922e+01 1.70 8.734481220e+01 4.054927020e+01 7.321473019e+01 8.733529923e+01 8.732578627e+01 8.750439244e+00 3.178119531e+01 7.709694759e+01 1.087033194e+01 2.601384443e+01 1.72 8.122570950e+01 3.666875327e+01 6.763080167e+01 8.121597021e+01 8.120623092e+01 7.704700099e+00 2.889797981e+01 7.145589692e+01 9.506026060e+00 2.376775301e+01 1.74 7.545548662e+01 3.305778821e+01 6.238649088e+01 7.544551747e+01 7.543554831e+01 6.724945454e+00 2.620382623e+01 6.614606944e+01 8.238883459e+00 2.165973858e+01 1.76 7.001612083e+01 2.969986419e+01 5.746313180e+01 7.000591831e+01 6.999571580e+01 5.807707886e+00 2.368776907e+01 6.114991558e+01 7.063032443e+00 1.968234950e+01 1.78 6.489046676e+01 2.657941524e+01 5.284302677e+01 6.488002747e+01 6.486958817e+01 4.949687320e+00 2.133943991e+01 5.645076058e+01 5.972929832e+00 1.782850977e+01 1.80 6.006221542e+01 2.368176840e+01 4.850939808e+01 6.005153599e+01 6.004085656e+01 4.147743723e+00 1.914903612e+01 5.203276270e+01 4.963343438e+00 1.609150082e+01 1.82 5.551585498e+01 2.099309466e+01 4.444634196e+01 5.550493215e+01 5.549400932e+01 3.398890133e+00 1.710729116e+01 4.788087328e+01 4.029335461e+00 1.446494423e+01 1.84 5.123663344e+01 1.850036260e+01 4.063878479e+01 5.122546404e+01 5.121429464e+01 2.700285985e+00 1.520544633e+01 4.398079866e+01 3.166246744e+00 1.294278518e+01 1.86 4.721052296e+01 1.619129442e+01 3.707244141e+01 4.719910392e+01 4.718768488e+01 2.049230741e+00 1.343522406e+01 4.031896392e+01 2.369681852e+00 1.151927675e+01 1.88 4.342418575e+01 1.405432429e+01 3.373377553e+01 4.341251412e+01 4.340084249e+01 1.443157788e+00 1.178880252e+01 3.688247831e+01 1.635494919e+00 1.018896493e+01 1.90 3.986494158e+01 1.207855903e+01 3.060996200e+01 3.985301456e+01 3.984108753e+01 8.796286281e-01 1.025879153e+01 3.365910220e+01 9.597762421e-01 8.946674312e+00 1.92 3.652073682e+01 1.025374083e+01 2.768885101e+01 3.650855173e+01 3.649636664e+01 3.563273293e-01 8.838209754e+00 3.063721571e+01 3.388396824e-01 7.787494552e+00 1.94 3.338011476e+01 8.570211964e+00 2.495893397e+01 3.336766910e+01 3.335522344e+01 -1.289402192e-01 7.520462997e+00 2.780578867e+01 -2.307752434e-01 6.706767366e+00 1.96 3.043218743e+01 7.018881418e+00 2.240931114e+01 3.041947887e+01 3.040677031e+01 -5.775850137e-01 6.299323702e+00 2.515435213e+01 -7.523068979e-01 5.700074218e+00 1.98 2.766660857e+01 5.591193319e+00 2.002966073e+01 2.765363498e+01 2.764066139e+01 -9.897486799e-01 5.168911442e+00 2.267297106e+01 -1.228949028e+00 4.763224555e+00 2.00 2.507354800e+01 4.279097042e+00 1.781020965e+01 2.506030746e+01 2.504706692e+01 -1.372872536e+00 4.123674449e+00 2.035221842e+01 -1.663507656e+00 3.892244622e+00 2.02 2.264366701e+01 3.075018947e+00 1.574170562e+01 2.263015784e+01 2.261664867e+01 -1.726084010e+00 3.158372093e+00 1.818315047e+01 -2.058784104e+00 3.083366798e+00 2.04 2.036809500e+01 1.971835627e+00 1.381539067e+01 2.035431576e+01 2.034053652e+01 -2.050673498e+00 2.268058267e+00 1.615728313e+01 -2.417375527e+00 2.333019450e+00 2.06 1.823840712e+01 9.628486139e-01 1.202297598e+01 1.822435665e+01 1.821030619e+01 -2.348230479e+00 1.448065631e+00 1.426656956e+01 -2.741667845e+00 1.637817264e+00 2.08 1.624660297e+01 4.176044763e-02 1.035661789e+01 1.623228042e+01 1.621795787e+01 -2.620257881e+00 6.939906766e-01 1.250337877e+01 -3.033874304e+00 9.945520337e-01 2.10 1.438508630e+01 -7.973479570e-01 8.808895156e+00 1.437049112e+01 1.435589594e+01 -2.868175503e+00 1.679563011e-03 1.086047518e+01 -3.295585467e+00 4.001839005e-01 2.12 1.264664560e+01 -1.560038709e+00 7.372787320e+00 1.263177759e+01 1.261690958e+01 -3.093323216e+00 -6.327853026e-01 9.330999256e+00 -3.529540097e+00 -1.481669911e-01 2.14 1.102443563e+01 -2.251537183e+00 6.041654146e+00 1.100929498e+01 1.099415432e+01 -3.296963974e+00 -1.213097993e+00 7.908448965e+00 -3.738193310e+00 -6.532284253e-01 2.16 9.511959786e+00 -2.876751153e+00 4.809216066e+00 9.496547072e+00 9.481134357e+00 -3.480286614e+00 -1.742741126e+00 6.586662151e+00 -3.922680751e+00 -1.117560707e+00 2.18 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