# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Starikov-S-Grigorev-P-Olsson-P-A-T--W-Mo-Nb # implementation = 2024--Starikov-S--W-Mo-Nb--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 2024-01-04 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 7.528460837e+02 nan 0.80 nan nan nan nan nan nan nan nan 6.982381408e+02 nan 0.82 nan nan nan nan nan nan nan nan 6.487486125e+02 nan 0.84 nan nan nan nan nan 5.408274346e+02 nan nan 6.044119228e+02 nan 0.86 nan nan nan nan nan 5.072683762e+02 nan nan 5.643551643e+02 nan 0.88 nan nan nan nan nan 4.767906960e+02 nan nan 5.282101462e+02 nan 0.90 nan nan nan nan nan 4.492407383e+02 nan nan 4.956721555e+02 nan 0.92 nan nan nan nan nan 4.244092593e+02 nan nan 4.664998687e+02 nan 0.94 nan nan nan 8.021223843e+02 8.023259066e+02 4.016885236e+02 nan nan 4.402285480e+02 5.723433007e+02 0.96 nan 5.363108124e+02 nan 7.530716975e+02 7.533343938e+02 3.810091892e+02 5.442695364e+02 nan 4.166344930e+02 5.383785264e+02 0.98 nan 5.054998629e+02 nan 7.080471578e+02 7.084494075e+02 3.627209226e+02 5.125120639e+02 nan 3.951914832e+02 5.079459263e+02 1.00 nan 4.776445396e+02 nan 6.666404578e+02 6.670537592e+02 3.459386279e+02 4.835037037e+02 nan 3.756800520e+02 4.802858363e+02 1.02 nan 4.519192750e+02 nan 6.286173255e+02 6.288642244e+02 3.303594810e+02 4.574782817e+02 nan 3.577655643e+02 4.549467608e+02 1.04 nan 4.281854207e+02 nan 5.940609732e+02 5.941705849e+02 3.156918701e+02 4.338212311e+02 nan 3.413584782e+02 4.317175705e+02 1.06 nan 4.062642815e+02 nan 5.618133352e+02 5.617924191e+02 3.023205108e+02 4.121913175e+02 5.311740642e+02 3.261745185e+02 4.106553780e+02 1.08 5.325371027e+02 3.861800709e+02 4.894259665e+02 5.324617359e+02 5.323198974e+02 2.901338979e+02 3.925687763e+02 5.033877330e+02 3.121554174e+02 3.914337950e+02 1.10 5.052917311e+02 3.675638345e+02 4.648259818e+02 5.052253390e+02 5.050490425e+02 2.792371554e+02 3.745674207e+02 4.774381356e+02 2.992332933e+02 3.735167542e+02 1.12 4.797062178e+02 3.504802983e+02 4.417299911e+02 4.797688991e+02 4.795914338e+02 2.690750157e+02 3.580141587e+02 4.533347187e+02 2.873473313e+02 3.570706130e+02 1.14 4.558937318e+02 3.348359339e+02 4.206790463e+02 4.559944434e+02 4.559192131e+02 2.598628867e+02 3.427556519e+02 4.310909537e+02 2.765518962e+02 3.418310008e+02 1.16 4.338371013e+02 3.206915275e+02 4.011500405e+02 4.338191194e+02 4.338674928e+02 2.513767826e+02 3.288021434e+02 4.105793948e+02 2.665551091e+02 3.277139214e+02 1.18 4.132725772e+02 3.078364137e+02 3.828696892e+02 4.133631617e+02 4.134813422e+02 2.433873528e+02 3.159911275e+02 3.917681709e+02 2.573184005e+02 3.146892932e+02 1.20 3.947663368e+02 2.962153750e+02 3.662493294e+02 3.947430179e+02 3.948277925e+02 2.358969158e+02 3.041246733e+02 3.747304827e+02 2.487851165e+02 3.025013084e+02 1.22 3.778311989e+02 2.853062808e+02 3.509885563e+02 3.777073079e+02 3.777175482e+02 2.289613631e+02 2.930089733e+02 3.591101094e+02 2.408073925e+02 2.911638715e+02 1.24 3.621826923e+02 2.753896396e+02 3.367047947e+02 3.621154757e+02 3.621124173e+02 2.225037003e+02 2.824470949e+02 3.446959097e+02 2.335977762e+02 2.807749501e+02 1.26 3.479155276e+02 2.662462639e+02 3.235950329e+02 3.478099828e+02 3.477570623e+02 2.165547833e+02 2.727535183e+02 3.313484183e+02 2.269833911e+02 2.712775183e+02 1.28 3.344180031e+02 2.577139440e+02 3.116962524e+02 3.343414016e+02 3.342316917e+02 2.112155157e+02 2.637114090e+02 3.188343087e+02 2.208202736e+02 2.622817052e+02 1.30 3.219588673e+02 2.499700944e+02 3.008124984e+02 3.219176105e+02 3.217792663e+02 2.064048354e+02 2.553920638e+02 3.072987486e+02 2.151176259e+02 2.542054009e+02 1.32 3.104969421e+02 2.427909540e+02 2.907090129e+02 3.104274624e+02 3.102761848e+02 2.020266423e+02 2.475786110e+02 2.967106310e+02 2.098705517e+02 2.466874945e+02 1.34 2.998385189e+02 2.360102975e+02 2.811987189e+02 2.997813764e+02 2.996599675e+02 1.979744169e+02 2.401230047e+02 2.868552443e+02 2.049959400e+02 2.395812043e+02 1.36 2.899340356e+02 2.297544690e+02 2.722744836e+02 2.899246532e+02 2.898615525e+02 1.940931687e+02 2.330885707e+02 2.776474178e+02 2.005029060e+02 2.328552319e+02 1.38 2.807587455e+02 2.239613409e+02 2.640087203e+02 2.807417399e+02 2.807413025e+02 1.904214612e+02 2.265389051e+02 2.690469964e+02 1.964344948e+02 2.265672277e+02 1.40 2.720830846e+02 2.184805903e+02 2.564283631e+02 2.720776524e+02 2.721310795e+02 1.870641758e+02 2.205488541e+02 2.609196525e+02 1.926522939e+02 2.207591908e+02 1.42 2.637953468e+02 2.133099344e+02 2.493088129e+02 2.638905759e+02 2.639867666e+02 1.839292210e+02 2.152102978e+02 2.532881962e+02 1.891705565e+02 2.153289241e+02 1.44 2.560372765e+02 2.085799514e+02 2.426634314e+02 2.562191685e+02 2.563603639e+02 1.810772388e+02 2.104176613e+02 2.461391761e+02 1.860348575e+02 2.103164572e+02 1.46 2.488583688e+02 2.042877029e+02 2.363869215e+02 2.490590479e+02 2.492364832e+02 1.784723621e+02 2.059021002e+02 2.395052604e+02 1.831282865e+02 2.057845863e+02 1.48 2.422831867e+02 2.001404353e+02 2.303203267e+02 2.424114685e+02 2.425817462e+02 1.759855289e+02 2.017770270e+02 2.333821289e+02 1.802958065e+02 2.016150566e+02 1.50 2.361370766e+02 1.963122358e+02 2.246829596e+02 2.362244457e+02 2.363853102e+02 1.736627259e+02 1.979328607e+02 2.276239899e+02 1.777051156e+02 1.977052610e+02 1.52 2.303018495e+02 1.927225786e+02 2.195148072e+02 2.304274632e+02 2.305950841e+02 1.715467597e+02 1.943601453e+02 2.222237248e+02 1.753101810e+02 1.941575106e+02 1.54 2.247790285e+02 1.893903885e+02 2.146425450e+02 2.249781213e+02 2.251312624e+02 1.695696945e+02 1.910521332e+02 2.172805094e+02 1.730704871e+02 1.909092041e+02 1.56 2.196676797e+02 1.863159825e+02 2.101368899e+02 2.198843488e+02 2.199948000e+02 1.677746524e+02 1.879421188e+02 2.127255948e+02 1.709478678e+02 1.878402550e+02 1.58 2.150020605e+02 1.834764551e+02 2.058793381e+02 2.151538265e+02 2.152196027e+02 1.661606567e+02 1.850198096e+02 2.084892854e+02 1.689291298e+02 1.849592595e+02 1.60 2.107565094e+02 1.807826492e+02 2.019368728e+02 2.107546199e+02 2.107495637e+02 1.646311832e+02 1.822838356e+02 2.045487466e+02 1.670477529e+02 1.823169909e+02 1.62 2.067715877e+02 1.780775811e+02 1.981637438e+02 2.066558275e+02 2.065722167e+02 1.631580027e+02 1.797151282e+02 2.008475470e+02 1.652874986e+02 1.798206779e+02 1.64 2.030286584e+02 1.756371176e+02 1.946962586e+02 2.028435042e+02 2.026875464e+02 1.617999597e+02 1.773179630e+02 1.973596741e+02 1.635991731e+02 1.774207997e+02 1.66 1.995852717e+02 1.733075001e+02 1.915529699e+02 1.993015921e+02 1.990946929e+02 1.605682170e+02 1.751570742e+02 1.940790111e+02 1.620294651e+02 1.751936645e+02 1.68 1.962716662e+02 1.710881555e+02 1.886174684e+02 1.959809945e+02 1.957748675e+02 1.594303173e+02 1.731912207e+02 1.909774213e+02 1.606153785e+02 1.730790760e+02 1.70 1.929884739e+02 1.690454563e+02 1.857962681e+02 1.928276162e+02 1.926616980e+02 1.583715901e+02 1.713070056e+02 1.880559285e+02 1.592950775e+02 1.710358306e+02 1.72 1.899395949e+02 1.671551239e+02 1.831061708e+02 1.898682843e+02 1.897406578e+02 1.573864807e+02 1.694863449e+02 1.853504143e+02 1.580211972e+02 1.691682682e+02 1.74 1.871748361e+02 1.653630736e+02 1.806262112e+02 1.871050263e+02 1.870055119e+02 1.565078744e+02 1.677957024e+02 1.828241320e+02 1.568290013e+02 1.674758217e+02 1.76 1.845467717e+02 1.636514207e+02 1.783310759e+02 1.844994002e+02 1.844340020e+02 1.557289629e+02 1.661626527e+02 1.803038256e+02 1.557486999e+02 1.658555610e+02 1.78 1.820568879e+02 1.620418491e+02 1.761215035e+02 1.820635160e+02 1.820265973e+02 1.549693637e+02 1.645725955e+02 1.781118688e+02 1.547610387e+02 1.643107071e+02 1.80 1.798126323e+02 1.605396947e+02 1.740231964e+02 1.798278903e+02 1.797993897e+02 1.542167240e+02 1.630591820e+02 1.760857067e+02 1.538447214e+02 1.629253489e+02 1.82 1.775185352e+02 1.591009468e+02 1.719409989e+02 1.775229735e+02 1.775097476e+02 1.534534731e+02 1.615426272e+02 1.740943722e+02 1.529417108e+02 1.615474066e+02 1.84 1.755709823e+02 1.578209109e+02 1.701940398e+02 1.756068433e+02 1.756372457e+02 1.528553976e+02 1.601876776e+02 1.722454460e+02 1.521809521e+02 1.603274259e+02 1.86 1.736817426e+02 1.566896625e+02 1.685538730e+02 1.737895276e+02 1.738750370e+02 1.523008149e+02 1.589171387e+02 1.704254810e+02 1.514687237e+02 1.591145593e+02 1.88 1.718977362e+02 1.556770603e+02 1.670063635e+02 1.720467933e+02 1.721656883e+02 1.517758892e+02 1.577018391e+02 1.686596939e+02 1.507869687e+02 1.579866001e+02 1.90 1.702106094e+02 1.547490268e+02 1.655690274e+02 1.703425248e+02 1.704703485e+02 1.512957339e+02 1.565216149e+02 1.669578712e+02 1.501370135e+02 1.569646518e+02 1.92 1.685487334e+02 1.538889070e+02 1.641886196e+02 1.686416323e+02 1.687694996e+02 1.508367517e+02 1.553945639e+02 1.653052007e+02 1.495245521e+02 1.559834614e+02 1.94 1.668599860e+02 1.530847522e+02 1.627896511e+02 1.669370195e+02 1.670630504e+02 1.503596539e+02 1.543392290e+02 1.636929079e+02 1.450143743e+02 1.549709518e+02 1.96 1.651817688e+02 1.523115585e+02 1.613559296e+02 1.652533261e+02 1.653674094e+02 1.248918841e+02 1.533391710e+02 1.621476283e+02 1.021661368e+02 1.539445823e+02 1.98 1.635744537e+02 1.515535216e+02 1.599412570e+02 1.636380263e+02 1.637293220e+02 8.422351080e+01 1.523867878e+02 1.607011536e+02 7.063923593e+01 1.529622860e+02 2.00 1.620648738e+02 1.508227649e+02 1.586081328e+02 1.621187835e+02 1.621883283e+02 5.299106128e+01 1.515103801e+02 1.593606450e+02 4.686763263e+01 1.520545352e+02 2.02 1.606442058e+02 1.501372444e+02 1.573740998e+02 1.606818637e+02 1.607307640e+02 3.139841591e+01 1.507139039e+02 1.581105820e+02 2.940368940e+01 1.512129870e+02 2.04 1.593003497e+02 1.464831190e+02 1.562156299e+02 1.593263642e+02 1.593574268e+02 1.894903415e+01 1.499694073e+02 1.569391458e+02 1.867742984e+01 1.504105819e+02 2.06 1.580581966e+02 1.161590706e+02 1.551359353e+02 1.580754900e+02 1.580897101e+02 9.948413524e+00 1.492748982e+02 1.558710944e+02 1.040108844e+01 1.496589269e+02 2.08 1.569268037e+02 7.973958668e+01 1.541469001e+02 1.569366384e+02 1.569322084e+02 4.167314765e+00 1.400574616e+02 1.549104103e+02 4.522605343e+00 1.489858498e+02 2.10 1.558670863e+02 5.438276872e+01 1.532409094e+02 1.558785344e+02 1.558560557e+02 4.938509210e-01 9.485908960e+01 1.540262095e+02 4.719184722e-01 1.007106797e+02 2.12 1.548825000e+02 3.704522444e+01 1.524182358e+02 1.548913570e+02 1.548500362e+02 -1.565362225e+00 6.134631996e+01 1.532054062e+02 -2.023810199e+00 6.573097234e+01 2.14 1.540009771e+02 2.396062827e+01 1.516509219e+02 1.539936141e+02 1.539330463e+02 -2.629769768e+00 3.707724402e+01 1.524395651e+02 -3.314444425e+00 4.159528940e+01 2.16 1.532374785e+02 1.350942417e+01 1.509120705e+02 1.531953572e+02 1.531147225e+02 -3.088513796e+00 2.068082121e+01 1.517178061e+02 -3.951205248e+00 2.504885910e+01 2.18 1.525422506e+02 6.068854490e+00 1.502189463e+02 1.524626678e+02 1.523695235e+02 -3.359845711e+00 1.088564542e+01 1.510249065e+02 -4.267566398e+00 1.459277829e+01 2.20 1.518518410e+02 1.510869502e+00 1.496038057e+02 1.517583039e+02 1.516690513e+02 -3.558425210e+00 4.924961380e+00 1.503502273e+02 -4.442050376e+00 8.430304038e+00 2.22 1.511432999e+02 -1.429525766e+00 1.297124490e+02 1.510640604e+02 1.509969352e+02 -3.805618775e+00 1.235224177e+00 1.496918109e+02 -4.574266417e+00 4.168698871e+00 2.24 1.504448434e+02 -3.327375970e+00 1.013916344e+02 1.503876885e+02 1.503491549e+02 -4.016191369e+00 -1.019865202e+00 1.227968888e+02 -4.680384172e+00 1.045054730e+00 2.26 1.497858899e+02 -4.432879656e+00 8.047692573e+01 1.497437856e+02 1.497284171e+02 -4.190902475e+00 -2.403931128e+00 8.818768853e+01 -4.761933260e+00 -1.171272394e+00 2.28 1.356231454e+02 -5.004062441e+00 6.408063441e+01 1.363379725e+02 1.427626658e+02 -4.350263351e+00 -3.314039760e+00 6.185907097e+01 -4.887475211e+00 -2.626565678e+00 2.30 9.512599872e+01 -5.319398768e+00 4.983323630e+01 1.006113072e+02 1.073151985e+02 -4.504761428e+00 -4.002453001e+00 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