# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Nichol-A-Ackland-G-J--K # implementation = 2016--Nichol-A--K--LAMMPS--ipr2 # composition = K # 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 nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 6.218189381e+02 nan 0.86 nan nan nan nan nan nan nan nan 5.621403404e+02 nan 0.88 nan nan nan nan nan nan nan nan 5.089799360e+02 nan 0.90 nan nan nan nan nan 4.098140018e+02 nan nan 4.615214898e+02 nan 0.92 nan nan nan nan nan 3.726174991e+02 nan nan 4.190633491e+02 nan 0.94 nan nan nan nan nan 3.392376397e+02 nan nan 3.810159011e+02 nan 0.96 nan nan nan nan nan 3.092362233e+02 nan nan 3.468644825e+02 nan 0.98 nan nan nan nan nan 2.822566484e+02 nan nan 3.161825118e+02 nan 1.00 nan nan nan nan nan 2.579572227e+02 nan nan 2.885739002e+02 nan 1.02 nan nan nan 6.309127656e+02 6.309291566e+02 2.360500699e+02 nan nan 2.636947359e+02 3.952024439e+02 1.04 nan nan nan 5.796639983e+02 5.796757092e+02 2.162649489e+02 nan nan 2.412407506e+02 3.622417006e+02 1.06 nan 3.189399632e+02 nan 5.331377975e+02 5.331445443e+02 1.983686828e+02 3.333882094e+02 nan 2.209417597e+02 3.323940753e+02 1.08 nan 2.926036681e+02 nan 4.908243450e+02 4.908318884e+02 1.821406234e+02 3.061115761e+02 nan 2.025545530e+02 3.053054169e+02 1.10 nan 2.687087350e+02 nan 4.523086504e+02 4.523164124e+02 1.674185113e+02 2.813277112e+02 nan 1.858741594e+02 2.807131111e+02 1.12 nan 2.469986473e+02 nan 4.172015861e+02 4.172066502e+02 1.540392553e+02 2.587837792e+02 nan 1.707157641e+02 2.583612152e+02 1.14 nan 2.272443457e+02 nan 3.851700660e+02 3.851722545e+02 1.418363455e+02 2.382586677e+02 nan 1.569281753e+02 2.380138207e+02 1.16 nan 2.092525867e+02 3.127649255e+02 3.559133056e+02 3.559132304e+02 1.306989886e+02 2.195684151e+02 3.254506792e+02 1.443761497e+02 2.194718224e+02 1.18 3.291723367e+02 1.928414722e+02 2.890175847e+02 3.291589225e+02 3.291574018e+02 1.205261093e+02 2.025317680e+02 3.008040900e+02 1.329399170e+02 2.025509351e+02 1.20 3.046823828e+02 1.778463566e+02 2.672913243e+02 3.046640110e+02 3.046618581e+02 1.112189018e+02 1.869847723e+02 2.782319160e+02 1.225079433e+02 1.870818006e+02 1.22 2.821993642e+02 1.641425429e+02 2.473882987e+02 2.821939961e+02 2.821995647e+02 1.026942411e+02 1.727769566e+02 2.575367194e+02 1.129870213e+02 1.729179455e+02 1.24 2.615606979e+02 1.516094017e+02 2.291160656e+02 2.615739212e+02 2.615904472e+02 9.487763842e+01 1.597733716e+02 2.385557033e+02 1.042957555e+02 1.599377317e+02 1.26 2.426029052e+02 1.401379997e+02 2.123194172e+02 2.426352252e+02 2.426613859e+02 8.770711807e+01 1.478496344e+02 2.211340794e+02 9.635629101e+01 1.480353497e+02 1.28 2.251772697e+02 1.296319232e+02 1.968738094e+02 2.252223463e+02 2.252558794e+02 8.112048853e+01 1.368980453e+02 2.051323914e+02 8.909823238e+01 1.371173624e+02 1.30 2.091510039e+02 1.200016518e+02 1.826778614e+02 2.092004760e+02 2.092363416e+02 7.508259131e+01 1.268369941e+02 1.904245688e+02 8.245520081e+01 1.270991019e+02 1.32 1.943968838e+02 1.111629851e+02 1.696292233e+02 1.944441738e+02 1.944773734e+02 6.955403894e+01 1.175870907e+02 1.769008682e+02 7.636000342e+01 1.178783691e+02 1.34 1.808121288e+02 1.030422509e+02 1.576299880e+02 1.808491567e+02 1.808751552e+02 6.449127672e+01 1.090776803e+02 1.644571250e+02 7.075590953e+01 1.094101277e+02 1.36 1.682969450e+02 9.557635586e+01 1.465856937e+02 1.683118563e+02 1.683227889e+02 5.984943082e+01 1.012474562e+02 1.529926946e+02 6.560078852e+01 1.016293863e+02 1.38 1.567565523e+02 8.870477124e+01 1.364132814e+02 1.567451725e+02 1.567398529e+02 5.558815723e+01 9.404220057e+01 1.424167812e+02 6.084540665e+01 9.447515765e+01 1.40 1.461014104e+02 8.237052783e+01 1.270283187e+02 1.460641730e+02 1.460431510e+02 5.166267940e+01 8.740728682e+01 1.326501681e+02 5.645945876e+01 8.788900184e+01 1.42 1.362463916e+02 7.652674753e+01 1.183640364e+02 1.361915482e+02 1.361576307e+02 4.804702778e+01 8.130087304e+01 1.236172760e+02 5.241110551e+01 8.181467722e+01 1.44 1.271020596e+02 7.113376793e+01 1.103546241e+02 1.270451049e+02 1.270081187e+02 4.471074849e+01 7.567912740e+01 1.152445878e+02 4.867193078e+01 7.618042262e+01 1.46 1.186259097e+02 6.615818837e+01 1.029387937e+02 1.185766702e+02 1.185428260e+02 4.162528880e+01 7.049004673e+01 1.074899942e+02 4.520797216e+01 7.096298433e+01 1.48 1.107694360e+02 6.156198233e+01 9.606137420e+01 1.107348603e+02 1.107085936e+02 3.876517640e+01 6.568731537e+01 1.003044408e+02 4.200321943e+01 6.613167723e+01 1.50 1.034793004e+02 5.731107804e+01 8.967600508e+01 1.034657549e+02 1.034507743e+02 3.610925263e+01 6.124253215e+01 9.364128115e+01 3.903652294e+01 6.165605916e+01 1.52 9.670970008e+01 5.337813559e+01 8.374494899e+01 9.672043883e+01 9.671886192e+01 3.364201505e+01 5.712503107e+01 8.746041362e+01 3.629061386e+01 5.751054925e+01 1.54 9.042152947e+01 4.973948039e+01 7.823462799e+01 9.045584219e+01 9.046808221e+01 3.135054734e+01 5.329683203e+01 8.172727712e+01 3.374948329e+01 5.366857592e+01 1.56 8.458133174e+01 4.637441888e+01 7.311689022e+01 8.463397760e+01 8.465874553e+01 2.922547455e+01 4.974581213e+01 7.640390710e+01 3.139786500e+01 5.010382609e+01 1.58 7.916077750e+01 4.326153845e+01 6.836432348e+01 7.922185237e+01 7.925627682e+01 2.725593443e+01 4.644930721e+01 7.146608117e+01 2.922194094e+01 4.679421895e+01 1.60 7.412400285e+01 4.037707350e+01 6.394763000e+01 7.418469158e+01 7.422627522e+01 2.543069630e+01 4.338607743e+01 6.688405827e+01 2.720953333e+01 4.371510375e+01 1.62 6.944057558e+01 3.770051501e+01 5.984398673e+01 6.949429632e+01 6.954000008e+01 2.373999184e+01 4.053671962e+01 6.262902673e+01 2.534787537e+01 4.084604188e+01 1.64 6.509019505e+01 3.521793626e+01 5.603915445e+01 6.513078652e+01 6.517541520e+01 2.217408345e+01 3.788464168e+01 5.867742511e+01 2.362503582e+01 3.817473553e+01 1.66 6.104624824e+01 3.291287599e+01 5.251505839e+01 6.107084652e+01 6.111015054e+01 2.072425668e+01 3.541277629e+01 5.500443085e+01 2.202757756e+01 3.568618996e+01 1.68 5.728235520e+01 3.077161441e+01 4.922654057e+01 5.728614112e+01 5.731187518e+01 1.936493410e+01 3.310690668e+01 5.158745836e+01 2.054855515e+01 3.336679442e+01 1.70 5.377453975e+01 2.878206290e+01 4.617128816e+01 5.376012588e+01 5.377035561e+01 1.810140221e+01 3.095631568e+01 4.840544253e+01 1.917859912e+01 3.120402865e+01 1.72 5.050281552e+01 2.691767338e+01 4.333034184e+01 5.047397041e+01 5.046845589e+01 1.692692485e+01 2.894899062e+01 4.543953032e+01 1.790920434e+01 2.918659307e+01 1.74 4.744985802e+01 2.518024713e+01 4.068508108e+01 4.741026483e+01 4.738987294e+01 1.583393819e+01 2.707485111e+01 4.267250374e+01 1.673295276e+01 2.730454506e+01 1.76 4.459896218e+01 2.355970968e+01 3.821804017e+01 4.455246010e+01 4.451925191e+01 1.481487419e+01 2.532412379e+01 4.008867421e+01 1.564291216e+01 2.554832891e+01 1.78 4.193473717e+01 2.204029447e+01 3.591231882e+01 4.188558558e+01 4.184269359e+01 1.386209169e+01 2.368810520e+01 3.766786007e+01 1.463003736e+01 2.391038182e+01 1.80 3.944400409e+01 2.061652546e+01 3.375286487e+01 3.939632018e+01 3.934769068e+01 1.296881935e+01 2.215892854e+01 3.540221959e+01 1.368707972e+01 2.238501075e+01 1.82 3.711320363e+01 1.928333857e+01 3.172806246e+01 3.707117222e+01 3.702126630e+01 1.213044525e+01 2.073026722e+01 3.328072168e+01 1.280973760e+01 2.096527189e+01 1.84 3.492691639e+01 1.803460928e+01 2.982879597e+01 3.489461431e+01 3.484833867e+01 1.134423490e+01 1.939681329e+01 3.127634316e+01 1.199187598e+01 1.964354040e+01 1.86 3.285427505e+01 1.686311456e+01 2.804618909e+01 3.283659070e+01 3.280052112e+01 1.060760970e+01 1.815322316e+01 2.939634062e+01 1.122801899e+01 1.840640054e+01 1.88 3.090996746e+01 1.576576978e+01 2.637197139e+01 3.090681972e+01 3.088336721e+01 9.918027153e+00 1.699389316e+01 2.763212641e+01 1.051309782e+01 1.725794318e+01 1.90 2.908631356e+01 1.473772942e+01 2.479897247e+01 2.909587123e+01 2.908614700e+01 9.273341429e+00 1.591390088e+01 2.597616505e+01 9.842500760e+00 1.619337538e+01 1.92 2.737439386e+01 1.377456593e+01 2.331991548e+01 2.739421968e+01 2.739840049e+01 8.671065223e+00 1.490887127e+01 2.442053993e+01 9.212471498e+00 1.520642806e+01 1.94 2.576559163e+01 1.287193735e+01 2.192813426e+01 2.579346094e+01 2.581102317e+01 8.108668376e+00 1.397484808e+01 2.295832822e+01 8.620246308e+00 1.429009123e+01 1.96 2.425261103e+01 1.202613061e+01 2.060996518e+01 2.428617725e+01 2.431520076e+01 7.572364677e+00 1.310285684e+01 2.158340632e+01 8.059988929e+00 1.343761015e+01 1.98 2.282908575e+01 1.123417651e+01 1.936180409e+01 2.286640324e+01 2.290437889e+01 7.062369578e+00 1.229279808e+01 2.029052456e+01 7.526725157e+00 1.264307233e+01 2.00 2.148964995e+01 1.049360127e+01 1.818640834e+01 2.152899570e+01 2.157351149e+01 6.586618250e+00 1.154032262e+01 1.907507095e+01 7.024293057e+00 1.190139062e+01 2.02 2.022925292e+01 9.802170681e+00 1.708028540e+01 2.026875241e+01 2.031724318e+01 6.143381095e+00 1.084091176e+01 1.793268247e+01 6.550777154e+00 1.120756873e+01 2.04 1.904260686e+01 9.157386456e+00 1.603933722e+01 1.908080433e+01 1.913079147e+01 5.730307974e+00 1.019030839e+01 1.685925762e+01 6.104644982e+00 1.055615238e+01 2.06 1.792492850e+01 8.557220670e+00 1.505966030e+01 1.796089007e+01 1.800994205e+01 5.345023930e+00 9.583890892e+00 1.585166001e+01 5.684769657e+00 9.942093017e+00 2.08 1.687253765e+01 7.999673431e+00 1.413768745e+01 1.690541145e+01 1.695104526e+01 4.985250615e+00 9.017433361e+00 1.490702302e+01 5.289936095e+00 9.361300200e+00 2.10 1.588290623e+01 7.481818346e+00 1.327025047e+01 1.591156280e+01 1.595129549e+01 4.648886541e+00 8.487056285e+00 1.402225682e+01 4.919214194e+00 8.811133936e+00 2.12 1.495392764e+01 7.000484644e+00 1.245452937e+01 1.497683650e+01 1.500831866e+01 4.333925934e+00 7.989160739e+00 1.319423382e+01 4.571765938e+00 8.289434517e+00 2.14 1.408348173e+01 6.552067863e+00 1.168784829e+01 1.409885473e+01 1.412007936e+01 4.038411959e+00 7.520755082e+00 1.241714350e+01 4.241922403e+00 7.793957706e+00 2.16 1.326863732e+01 6.133152790e+00 1.096760068e+01 1.327505344e+01 1.328466858e+01 3.760400742e+00 7.079260803e+00 1.168895835e+01 3.928196137e+00 7.322677483e+00 2.18 1.250508223e+01 5.740675090e+00 1.029172947e+01 1.250212272e+01 1.249971688e+01 3.498156053e+00 6.659766239e+00 1.100610293e+01 3.634522633e+00 6.873974602e+00 2.20 1.178903686e+01 5.372090317e+00 9.659190057e+00 1.177695535e+01 1.176297396e+01 3.250494867e+00 6.254172621e+00 1.036534348e+01 3.359835539e+00 6.446880840e+00 2.22 1.111705118e+01 5.025147198e+00 9.068834813e+00 1.109658766e+01 1.107217386e+01 3.016890622e+00 5.869652267e+00 9.763574348e+00 3.102951875e+00 6.040661891e+00 2.24 1.048564509e+01 4.697943122e+00 8.518785861e+00 1.045790939e+01 1.042465219e+01 2.796791209e+00 5.504727591e+00 9.197713822e+00 2.862645831e+00 5.654471052e+00 2.26 9.888043591e+00 4.389323667e+00 8.007019644e+00 9.854423611e+00 9.814212460e+00 2.589568859e+00 5.158032139e+00 8.662583622e+00 2.637792805e+00 5.279101200e+00 2.28 9.320787219e+00 4.098088439e+00 7.530843281e+00 9.282746581e+00 9.237655955e+00 2.394287931e+00 4.828081578e+00 8.155378610e+00 2.427417796e+00 4.913128731e+00 2.30 8.785339206e+00 3.822882597e+00 7.087477607e+00 8.744342276e+00 8.696458910e+00 2.210124926e+00 4.513560721e+00 7.676409174e+00 2.230700554e+00 4.566170654e+00 2.32 8.279675148e+00 3.562641880e+00 6.674389948e+00 8.237154979e+00 8.188508151e+00 2.036464446e+00 4.213434032e+00 7.223629909e+00 2.047033084e+00 4.238702894e+00 2.34 7.801652429e+00 3.316490140e+00 6.289204947e+00 7.759095399e+00 7.711633286e+00 1.872875006e+00 3.926929288e+00 6.795128909e+00 1.875886645e+00 3.930441825e+00 2.36 7.349308823e+00 3.083716562e+00 5.929481844e+00 7.308239591e+00 7.263802569e+00 1.718886117e+00 3.653401454e+00 6.389295730e+00 1.716591639e+00 3.640566029e+00 2.38 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