# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Starikov-S-V-Lopanitsyna-N-Y-Smirnova-D-E-Makarov-S-V--Si-Au # implementation = 2018--Starikov-S-V--Si-Au--LAMMPS--ipr2 # composition = Au # 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 6.884174125e+02 nan 0.80 nan nan nan nan nan nan nan nan 6.298757323e+02 nan 0.82 nan nan nan nan nan nan nan nan 5.772327987e+02 nan 0.84 nan nan nan nan nan 4.582208363e+02 nan nan 5.296799365e+02 nan 0.86 nan nan nan nan nan 4.229729986e+02 nan nan 4.868498257e+02 nan 0.88 nan nan nan nan nan 3.913707270e+02 nan nan 4.483428789e+02 nan 0.90 nan nan nan nan nan 3.630304641e+02 nan nan 4.137678805e+02 nan 0.92 nan nan nan nan nan 3.370212529e+02 nan nan 3.825409997e+02 nan 0.94 nan nan nan 7.432789705e+02 7.436084674e+02 3.136990380e+02 nan nan 3.544553043e+02 4.966669137e+02 0.96 nan 4.617125538e+02 nan 6.916683366e+02 6.921530943e+02 2.921662194e+02 4.674133630e+02 nan 3.291377262e+02 4.605278438e+02 0.98 nan 4.288007277e+02 nan 6.444709640e+02 6.449663430e+02 2.722660669e+02 4.332140386e+02 nan 3.060532081e+02 4.277397068e+02 1.00 nan 3.985486516e+02 nan 6.012401517e+02 6.016222142e+02 2.538811581e+02 4.022046990e+02 nan 2.851039266e+02 3.980001038e+02 1.02 nan 3.703862073e+02 nan 5.606194663e+02 5.609346237e+02 2.369175033e+02 3.740284287e+02 nan 2.659284591e+02 3.706557783e+02 1.04 nan 3.443192282e+02 nan 5.237378194e+02 5.238533113e+02 2.212837429e+02 3.484210734e+02 nan 2.483885867e+02 3.459867118e+02 1.06 nan 3.201872495e+02 nan 4.893643057e+02 4.893299247e+02 2.069073306e+02 3.251593281e+02 4.558544496e+02 2.323555622e+02 3.233479939e+02 1.08 4.574464813e+02 2.979211722e+02 4.109131819e+02 4.573091615e+02 4.571565873e+02 1.931992440e+02 3.038207529e+02 4.256527772e+02 2.174081400e+02 3.025319163e+02 1.10 4.276931730e+02 2.774727742e+02 3.839377484e+02 4.275117710e+02 4.273394996e+02 1.809222489e+02 2.844994240e+02 3.975649339e+02 2.038382736e+02 2.833653341e+02 1.12 3.999794084e+02 2.587574356e+02 3.589940395e+02 3.997918455e+02 3.996277452e+02 1.694150268e+02 2.668109129e+02 3.714949521e+02 1.912429546e+02 2.657099762e+02 1.14 3.742168257e+02 2.416733247e+02 3.359077515e+02 3.740528363e+02 3.739150080e+02 1.586328185e+02 2.505817184e+02 3.473839061e+02 1.795571758e+02 2.494431886e+02 1.16 3.503368055e+02 2.261004967e+02 3.145132210e+02 3.502202553e+02 3.501225842e+02 1.485361732e+02 2.356523901e+02 3.251645687e+02 1.687264845e+02 2.344598921e+02 1.18 3.282753937e+02 2.119066028e+02 2.946761164e+02 3.282184865e+02 3.281667323e+02 1.391007011e+02 2.218922577e+02 3.046499879e+02 1.584184640e+02 2.206638653e+02 1.20 3.079683859e+02 1.989749549e+02 2.763020457e+02 3.079680438e+02 3.079585042e+02 1.303168704e+02 2.088044801e+02 2.858645179e+02 1.490194247e+02 2.079530582e+02 1.22 2.893082610e+02 1.871914157e+02 2.593115567e+02 2.893445510e+02 2.893619747e+02 1.221804092e+02 1.969913120e+02 2.685931951e+02 1.401951236e+02 1.962334279e+02 1.24 2.719799083e+02 1.764327928e+02 2.436241802e+02 2.720287910e+02 2.720552089e+02 1.146840198e+02 1.858705089e+02 2.525876068e+02 1.319203375e+02 1.850451171e+02 1.26 2.560968391e+02 1.665759843e+02 2.291886816e+02 2.561345713e+02 2.561528096e+02 1.078287587e+02 1.754298480e+02 2.378851446e+02 1.241941281e+02 1.747856003e+02 1.28 2.414561157e+02 1.575206834e+02 2.159372406e+02 2.414683444e+02 2.414714829e+02 1.015943212e+02 1.656425590e+02 2.243113319e+02 1.169892040e+02 1.652202108e+02 1.30 2.278738473e+02 1.491762119e+02 2.037757799e+02 2.278588418e+02 2.278475785e+02 9.593575504e+01 1.564798826e+02 2.117143745e+02 1.102895706e+02 1.561630355e+02 1.32 2.152454083e+02 1.414742560e+02 1.926040179e+02 2.152113995e+02 2.151915775e+02 9.080441921e+01 1.479080768e+02 1.999994299e+02 1.040713347e+02 1.475765314e+02 1.34 2.034783790e+02 1.343499283e+02 1.823269105e+02 2.034410115e+02 2.034225897e+02 8.615282844e+01 1.398914235e+02 1.890906150e+02 9.831144124e+01 1.394324750e+02 1.36 1.925022829e+02 1.277466216e+02 1.728534968e+02 1.924742935e+02 1.924649559e+02 8.193332048e+01 1.323970260e+02 1.789327544e+02 9.300057218e+01 1.317197275e+02 1.38 1.822662296e+02 1.216357956e+02 1.640946698e+02 1.822532634e+02 1.822551576e+02 7.809695259e+01 1.254038592e+02 1.694863328e+02 8.812500031e+01 1.244375116e+02 1.40 1.727310607e+02 1.159643631e+02 1.559719527e+02 1.727343376e+02 1.727450442e+02 7.459781771e+01 1.189132040e+02 1.607140473e+02 8.365940196e+01 1.175899321e+02 1.42 1.638603278e+02 1.106898304e+02 1.484320296e+02 1.638810648e+02 1.638984777e+02 7.140311125e+01 1.126685146e+02 1.525751949e+02 7.956154284e+01 1.111834819e+02 1.44 1.556217710e+02 1.054998011e+02 1.414236617e+02 1.556578128e+02 1.556800262e+02 6.848178719e+01 1.069952850e+02 1.450284420e+02 7.565544155e+01 1.052230965e+02 1.46 1.479845280e+02 1.008487012e+02 1.349015409e+02 1.480295214e+02 1.480543370e+02 6.580980567e+01 1.016796847e+02 1.380310558e+02 7.214799531e+01 9.970881998e+01 1.48 1.409048197e+02 9.642688635e+01 1.288263260e+02 1.409518679e+02 1.409788603e+02 6.336707376e+01 9.670479221e+01 1.315363855e+02 6.888670355e+01 9.461934717e+01 1.50 1.343342196e+02 9.222146213e+01 1.231625948e+02 1.343773669e+02 1.344064007e+02 6.113267632e+01 9.205236840e+01 1.254980627e+02 6.585380132e+01 8.992356641e+01 1.52 1.282224775e+02 8.822141407e+01 1.176067257e+02 1.282584198e+02 1.282883537e+02 5.908706301e+01 8.770053095e+01 1.198725341e+02 6.303480345e+01 8.558994283e+01 1.54 1.225245041e+02 8.441697161e+01 1.126242445e+02 1.225512991e+02 1.225807375e+02 5.721170202e+01 8.363854379e+01 1.146262802e+02 6.041677564e+01 8.159164423e+01 1.56 1.172052540e+02 8.079697634e+01 1.078822019e+02 1.172231769e+02 1.172502897e+02 5.548923303e+01 7.984122895e+01 1.097316965e+02 5.798622411e+01 7.790418272e+01 1.58 1.122351858e+02 7.707969007e+01 1.033699355e+02 1.122456813e+02 1.122688364e+02 5.390557199e+01 7.629169849e+01 1.051605077e+02 5.573114072e+01 7.450475419e+01 1.60 1.075871970e+02 7.373403328e+01 9.907090000e+01 1.075929802e+02 1.076116906e+02 5.244461221e+01 7.297633428e+01 1.008860125e+02 5.363948879e+01 7.137008983e+01 1.62 1.032388055e+02 7.049815439e+01 9.496884669e+01 1.032408065e+02 1.032537401e+02 5.109011913e+01 6.987575582e+01 9.688439706e+01 5.170073087e+01 6.847821574e+01 1.64 9.916804347e+01 6.738090898e+01 9.105257565e+01 9.916635434e+01 9.917325277e+01 4.982863012e+01 6.698381935e+01 9.313781909e+01 4.990674184e+01 6.580687088e+01 1.66 9.535178186e+01 6.439217030e+01 8.731773197e+01 9.534732108e+01 9.534834439e+01 4.865184623e+01 6.419887251e+01 8.962411884e+01 4.825315582e+01 6.333414835e+01 1.68 9.176836342e+01 6.154202908e+01 8.376064354e+01 9.176250212e+01 9.175857246e+01 4.684899572e+01 6.168628419e+01 8.632636938e+01 4.673586077e+01 6.104356845e+01 1.70 8.839806486e+01 5.883734523e+01 8.037829800e+01 8.839359800e+01 8.838643562e+01 4.193713179e+01 5.933788104e+01 8.309329559e+01 4.534585184e+01 5.892263869e+01 1.72 8.522359709e+01 5.627884342e+01 7.717049671e+01 8.522372855e+01 8.521535707e+01 3.749648508e+01 5.714505365e+01 7.989408334e+01 4.407256511e+01 5.695951400e+01 1.74 8.223498475e+01 5.387247741e+01 7.413674401e+01 8.223879496e+01 8.223156446e+01 3.351364786e+01 5.509906397e+01 7.700475115e+01 4.290466819e+01 5.514468960e+01 1.76 7.887662446e+01 5.153183293e+01 7.091196806e+01 7.888321243e+01 7.887867299e+01 2.967921650e+01 5.300885882e+01 7.402047315e+01 4.169548690e+01 5.319559185e+01 1.78 7.610790387e+01 4.939732559e+01 6.814191259e+01 7.611642981e+01 7.611547386e+01 2.648302291e+01 5.118357387e+01 7.125424640e+01 3.725891390e+01 5.158750927e+01 1.80 7.337805956e+01 4.738936482e+01 6.545964969e+01 7.338813524e+01 7.339122403e+01 2.360210316e+01 4.943606715e+01 6.853288291e+01 3.288779588e+01 5.004048170e+01 1.82 7.068780197e+01 4.550771311e+01 6.286258176e+01 7.069830797e+01 7.070480229e+01 2.099970476e+01 4.776322173e+01 6.586288846e+01 2.891114287e+01 4.854981715e+01 1.84 6.804059529e+01 4.374509115e+01 6.035351870e+01 6.804981334e+01 6.805863830e+01 1.864979085e+01 4.616568105e+01 6.325145647e+01 2.530957045e+01 4.711181097e+01 1.86 6.543971918e+01 4.210333813e+01 5.793424199e+01 6.544749995e+01 6.545797191e+01 1.652399642e+01 4.464274085e+01 6.070452270e+01 2.205722737e+01 4.572252502e+01 1.88 6.288930262e+01 4.057998551e+01 5.560644723e+01 6.289683775e+01 6.290881765e+01 1.459320159e+01 4.319343165e+01 5.822935548e+01 1.912223218e+01 4.437905754e+01 1.90 6.039693706e+01 3.916755275e+01 5.337219259e+01 6.040479411e+01 6.041789510e+01 1.283474650e+01 4.181744348e+01 5.583327442e+01 1.647340379e+01 4.308313498e+01 1.92 5.797075913e+01 3.785961790e+01 5.123371969e+01 5.797878154e+01 5.799229994e+01 1.123247557e+01 4.051560807e+01 5.352457310e+01 1.408277355e+01 4.183688983e+01 1.94 5.561940649e+01 3.606174762e+01 4.919285211e+01 5.562737112e+01 5.564057041e+01 9.772805257e+00 3.928824230e+01 5.131187314e+01 1.193314951e+01 4.064221812e+01 1.96 5.335142839e+01 3.155319052e+01 4.725099550e+01 5.335996870e+01 5.337227697e+01 8.443321713e+00 3.692057221e+01 4.920400635e+01 1.000690701e+01 3.705746897e+01 1.98 5.117615873e+01 2.742823988e+01 4.540996605e+01 5.118528601e+01 5.119617821e+01 7.233685688e+00 3.263757346e+01 4.720885172e+01 8.289621892e+00 3.272478786e+01 2.00 4.910264216e+01 2.371408054e+01 4.367175454e+01 4.911150427e+01 4.912032338e+01 6.135208577e+00 2.870609595e+01 4.533448456e+01 6.765541971e+00 2.874801584e+01 2.02 4.713873274e+01 2.036099780e+01 4.203885651e+01 4.714663573e+01 4.715318691e+01 5.144432770e+00 2.511142404e+01 4.358035848e+01 5.418261112e+00 2.510971695e+01 2.04 4.529117070e+01 1.733623930e+01 4.051381705e+01 4.529781992e+01 4.530225010e+01 4.259069810e+00 2.183624528e+01 4.194498354e+01 4.233249197e+00 2.179454706e+01 2.06 4.356488128e+01 1.460819316e+01 3.909934872e+01 4.357038056e+01 4.357301159e+01 3.476167572e+00 1.885983238e+01 4.042636256e+01 3.197204806e+00 1.878611921e+01 2.08 4.195695211e+01 1.215511112e+01 3.779315388e+01 4.196072152e+01 4.196161068e+01 2.790186326e+00 1.615924715e+01 3.902144443e+01 2.296008177e+00 1.606707768e+01 2.10 4.046260977e+01 9.959537620e+00 3.659110511e+01 4.046415400e+01 4.046319697e+01 2.194615693e+00 1.370954949e+01 3.772347999e+01 1.517733211e+00 1.362719629e+01 2.12 3.907643615e+01 8.003745503e+00 3.479652153e+01 3.907583186e+01 3.907303581e+01 1.680467240e+00 1.149163694e+01 3.652712654e+01 8.509561316e-01 1.144401912e+01 2.14 3.779322863e+01 6.269311663e+00 3.074403612e+01 3.779076566e+01 3.778623541e+01 1.241054905e+00 9.489081876e+00 3.467227261e+01 2.863690211e-01 9.495008719e+00 2.16 3.660828327e+01 4.738674709e+00 2.704963637e+01 3.660418939e+01 3.659837928e+01 7.687788993e-01 7.687165586e+00 3.043511271e+01 -1.857699678e-01 7.759777292e+00 2.18 3.518292080e+01 3.394762269e+00 2.366990465e+01 3.515000607e+01 3.512333362e+01 2.964853356e-01 6.070306945e+00 2.659027135e+01 -5.713531887e-01 6.219482710e+00 2.20 3.095260302e+01 2.221200567e+00 2.057162445e+01 3.096818394e+01 3.096887397e+01 -1.391795434e-01 4.628818495e+00 2.311199334e+01 -8.780982270e-01 4.855458042e+00 2.22 2.710878108e+01 1.203345725e+00 1.774016416e+01 2.716163088e+01 2.718486450e+01 -5.267740505e-01 3.352465086e+00 1.997445591e+01 -1.128667646e+00 3.652556169e+00 2.24 2.363455831e+01 3.250564501e-01 1.515786648e+01 2.370887424e+01 2.374956288e+01 -8.682876682e-01 2.231190505e+00 1.714730699e+01 -1.439456398e+00 2.595920972e+00 2.26 2.050252582e+01 -4.283123333e-01 1.281209632e+01 2.058397330e+01 2.063754241e+01 -1.170154127e+00 1.256269995e+00 1.459785551e+01 -1.742390829e+00 1.671888488e+00 2.28 1.767592546e+01 -1.068121194e+00 1.069265182e+01 1.775570192e+01 1.781888904e+01 -1.439312699e+00 4.187535739e-01 1.230183416e+01 -2.004211087e+00 8.680325897e-01 2.30 1.512151418e+01 -1.605972448e+00 8.788149116e+00 1.519581427e+01 1.526634588e+01 -1.681650235e+00 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