# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2005--Erhart-P-Albe-K--Si-C-II # implementation = 2005--Erhart-P--Si-C-II--LAMMPS--ipr1 # composition = Si # 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 3.982813576e+03 nan nan nan nan 0.58 nan nan nan nan nan 3.528217609e+03 nan nan nan nan 0.60 nan nan nan nan nan 3.136338250e+03 nan nan 3.673961779e+03 nan 0.62 nan nan nan nan nan 2.803317053e+03 nan nan 3.276363527e+03 nan 0.64 nan nan nan nan nan 2.513123977e+03 nan nan 2.927582674e+03 nan 0.66 nan 3.670462394e+03 nan nan nan 2.245089475e+03 3.742301681e+03 nan 2.620028980e+03 3.684645416e+03 0.68 nan 3.307542221e+03 nan nan nan 2.004374255e+03 3.374577655e+03 nan 2.354451881e+03 3.318038085e+03 0.70 nan 2.988036145e+03 nan nan nan 1.797977226e+03 3.046054280e+03 nan 2.124776287e+03 2.989026043e+03 0.72 nan 2.701274912e+03 3.666650821e+03 nan nan 1.622242819e+03 2.747918017e+03 3.784810145e+03 1.917788525e+03 2.702739705e+03 0.74 3.685361999e+03 2.446557785e+03 3.338507973e+03 3.684060181e+03 3.683548790e+03 1.469347510e+03 2.486216038e+03 3.445223998e+03 1.732075855e+03 2.458347208e+03 0.76 3.362216931e+03 2.221994638e+03 3.043115217e+03 3.356602629e+03 3.353696022e+03 1.333965993e+03 2.259981544e+03 3.140105403e+03 1.566376557e+03 2.237066877e+03 0.78 3.071553530e+03 2.020077460e+03 2.774327671e+03 3.064947497e+03 3.062069027e+03 1.208705228e+03 2.059554676e+03 2.862191785e+03 1.419877630e+03 2.031186481e+03 0.80 2.804783667e+03 1.836825906e+03 2.536117427e+03 2.803435437e+03 2.802034856e+03 1.095015912e+03 1.877334845e+03 2.609752404e+03 1.287349593e+03 1.844013392e+03 0.82 2.559126687e+03 1.672563173e+03 2.319528650e+03 2.565220000e+03 2.566116457e+03 9.943345123e+02 1.710334582e+03 2.382863149e+03 1.168211096e+03 1.681426841e+03 0.84 2.341355000e+03 1.526474261e+03 2.116269203e+03 2.348611971e+03 2.350673335e+03 9.035213339e+02 1.558347893e+03 2.180901360e+03 1.059664552e+03 1.538472424e+03 0.86 2.150255175e+03 1.392394744e+03 1.930215745e+03 2.153308819e+03 2.155669742e+03 8.203940991e+02 1.423694881e+03 2.000711974e+03 9.629884078e+02 1.408561645e+03 0.88 1.977705157e+03 1.271341012e+03 1.766861672e+03 1.977203955e+03 1.979698917e+03 7.450188094e+02 1.305199235e+03 1.838242434e+03 8.758367987e+02 1.289322378e+03 0.90 1.820012113e+03 1.165542090e+03 1.628052716e+03 1.817968098e+03 1.820100618e+03 6.801824062e+02 1.199086812e+03 1.690417695e+03 7.974032188e+02 1.178979711e+03 0.92 1.677178161e+03 1.070806189e+03 1.503996531e+03 1.673280507e+03 1.673081579e+03 6.232868997e+02 1.099363523e+03 1.555767836e+03 7.269314446e+02 1.079588460e+03 0.94 1.544987686e+03 9.816824657e+02 1.388540279e+03 1.541157025e+03 1.538485832e+03 5.714828242e+02 1.006737389e+03 1.431036278e+03 6.645509768e+02 9.879073853e+02 0.96 1.422396677e+03 8.989610653e+02 1.279566808e+03 1.421387609e+03 1.417662226e+03 5.227904074e+02 9.217524555e+02 1.317507744e+03 6.093676260e+02 9.030905741e+02 0.98 1.311495472e+03 8.248427069e+02 1.178612237e+03 1.312522998e+03 1.309524142e+03 4.775820010e+02 8.433115670e+02 1.215927622e+03 5.588721669e+02 8.270153111e+02 1.00 1.211380570e+03 7.590228768e+02 1.085112066e+03 1.213244859e+03 1.211896175e+03 4.342457461e+02 7.713682867e+02 1.124875473e+03 5.125750547e+02 7.577458972e+02 1.02 1.123368651e+03 6.987547666e+02 1.000891931e+03 1.123764849e+03 1.123472914e+03 3.940860745e+02 7.061248025e+02 1.042401579e+03 4.709929032e+02 6.971446975e+02 1.04 1.043991391e+03 6.408523101e+02 9.246192852e+02 1.042435806e+03 1.042855035e+03 3.573557295e+02 6.483456572e+02 9.642500828e+02 4.330980324e+02 6.429771995e+02 1.06 9.675923245e+02 5.851847692e+02 8.558740665e+02 9.662063354e+02 9.675382206e+02 3.250580273e+02 5.978839060e+02 8.882495574e+02 3.971098277e+02 5.939960986e+02 1.08 8.925807965e+02 5.340943216e+02 7.943248729e+02 8.930371343e+02 8.953417961e+02 2.989356477e+02 5.533051039e+02 8.163126792e+02 3.626924913e+02 5.504768734e+02 1.10 8.210032140e+02 4.887742042e+02 7.358430490e+02 8.235059450e+02 8.262682355e+02 2.765744244e+02 5.119728865e+02 7.508629606e+02 3.302864663e+02 5.110681310e+02 1.12 7.551896530e+02 4.501002427e+02 6.777880523e+02 7.590487828e+02 7.617896553e+02 2.546685848e+02 4.730318915e+02 6.932560104e+02 3.011597552e+02 4.746716358e+02 1.14 6.974510959e+02 4.171795724e+02 6.214875446e+02 7.012496963e+02 7.034150890e+02 2.333024518e+02 4.366209008e+02 6.426864693e+02 2.759481526e+02 4.399492430e+02 1.16 6.485889889e+02 3.872720197e+02 5.692166429e+02 6.504698713e+02 6.516482856e+02 2.130907301e+02 4.030581406e+02 5.974772539e+02 2.531732023e+02 4.055021962e+02 1.18 6.040030214e+02 3.595375550e+02 5.235701545e+02 6.040016552e+02 6.041791963e+02 1.947149273e+02 3.728071839e+02 5.554875241e+02 2.317585660e+02 3.722543550e+02 1.20 5.625312545e+02 3.333237292e+02 4.850182233e+02 5.611202770e+02 5.601792023e+02 1.787131054e+02 3.459033529e+02 5.161745758e+02 2.113394776e+02 3.412395053e+02 1.22 5.243970368e+02 3.079348135e+02 4.514231954e+02 5.218954554e+02 5.196059807e+02 1.647005592e+02 3.210851153e+02 4.799174903e+02 1.920056353e+02 3.135012521e+02 1.24 4.893155204e+02 2.830460549e+02 4.202155471e+02 4.858709679e+02 4.824605776e+02 1.514920240e+02 2.974637797e+02 4.460523739e+02 1.744642823e+02 2.895276521e+02 1.26 4.551604351e+02 2.588346621e+02 3.909482662e+02 4.515471170e+02 4.479555787e+02 1.390224543e+02 2.751309828e+02 4.133236294e+02 1.590161174e+02 2.670574732e+02 1.28 4.216217344e+02 2.360092349e+02 3.638095501e+02 4.188211455e+02 4.160342352e+02 1.275560680e+02 2.536268868e+02 3.823190815e+02 1.449502001e+02 2.444871455e+02 1.30 3.894686950e+02 2.154259668e+02 3.389290705e+02 3.880172580e+02 3.865681625e+02 1.173287821e+02 2.328321974e+02 3.537130300e+02 1.320636879e+02 2.224487230e+02 1.32 3.595707424e+02 1.975583054e+02 3.163190209e+02 3.593922773e+02 3.592035377e+02 1.084682769e+02 2.131425618e+02 3.275056912e+02 1.204764681e+02 2.017851726e+02 1.34 3.328155151e+02 1.823981494e+02 2.955641725e+02 3.335792061e+02 3.343223278e+02 1.006166673e+02 1.941762746e+02 3.039845808e+02 1.099569903e+02 1.835529077e+02 1.36 3.098824513e+02 1.690250623e+02 2.762044628e+02 3.110221557e+02 3.121368369e+02 9.334091752e+01 1.758100394e+02 2.828799862e+02 1.007075296e+02 1.688231201e+02 1.38 2.900505140e+02 1.569662140e+02 2.581201851e+02 2.911311399e+02 2.921873509e+02 8.659673978e+01 1.587860115e+02 2.633410949e+02 9.275781940e+01 1.570249695e+02 1.40 2.708101313e+02 1.454141210e+02 2.408081142e+02 2.720165486e+02 2.732005466e+02 8.034375626e+01 1.438286831e+02 2.445267901e+02 8.570050176e+01 1.456720132e+02 1.42 2.519865978e+02 1.342850713e+02 2.241775969e+02 2.535302199e+02 2.550548579e+02 7.454479419e+01 1.308567881e+02 2.265996205e+02 7.916031496e+01 1.346191369e+02 1.44 2.338534552e+02 1.236978577e+02 2.083434916e+02 2.358523817e+02 2.378367276e+02 6.915103442e+01 1.197024412e+02 2.098613079e+02 7.299502020e+01 1.240110159e+02 1.46 2.167122903e+02 1.137825086e+02 1.924069715e+02 2.189032108e+02 2.210843214e+02 6.366195271e+01 1.102469984e+02 1.945902572e+02 6.708260360e+01 1.140149363e+02 1.48 2.008675642e+02 1.045586946e+02 1.762516362e+02 2.028262406e+02 2.047795386e+02 5.796635847e+01 1.016016697e+02 1.809818220e+02 6.141425813e+01 1.048038392e+02 1.50 1.865845218e+02 9.556369598e+01 1.603654865e+02 1.879213550e+02 1.892561352e+02 5.223410436e+01 9.337602354e+01 1.687469125e+02 5.602975865e+01 9.652783194e+01 1.52 1.740178769e+02 8.690820077e+01 1.452717925e+02 1.744359050e+02 1.748534370e+02 4.664004500e+01 8.567942985e+01 1.575628063e+02 5.100271053e+01 8.927164655e+01 1.54 1.628883122e+02 7.856784949e+01 1.314058812e+02 1.623214117e+02 1.617540993e+02 4.138754999e+01 7.861854644e+01 1.471600728e+02 4.638085480e+01 8.287288138e+01 1.56 1.524863895e+02 7.018161964e+01 1.189929066e+02 1.511894209e+02 1.498920827e+02 3.673821548e+01 7.227622435e+01 1.369891589e+02 4.209752470e+01 7.692409989e+01 1.58 1.427379178e+02 6.198126011e+01 1.087289217e+02 1.410789703e+02 1.394197110e+02 3.298528772e+01 6.668631298e+01 1.270388436e+02 3.819702662e+01 7.137936282e+01 1.60 1.333421265e+02 5.431196961e+01 1.009512325e+02 1.317275268e+02 1.301124875e+02 3.025542600e+01 6.167441334e+01 1.167731083e+02 3.460035696e+01 6.612192846e+01 1.62 1.233805000e+02 4.760530560e+01 9.409107200e+01 1.219947412e+02 1.206075899e+02 2.789177140e+01 5.700669665e+01 1.062991379e+02 3.128860680e+01 6.082332328e+01 1.64 1.130103575e+02 4.221585776e+01 8.766522225e+01 1.119364245e+02 1.108595971e+02 2.569357092e+01 5.265920266e+01 9.588571590e+01 2.825686047e+01 5.553636752e+01 1.66 1.024876517e+02 3.745695705e+01 8.164669636e+01 1.017899684e+02 1.010880624e+02 2.364942260e+01 4.861063799e+01 8.582997409e+01 2.552347026e+01 5.036250173e+01 1.68 9.206114891e+01 3.331290008e+01 7.601019809e+01 9.179486685e+01 9.152453020e+01 2.174872617e+01 4.483958790e+01 7.652477914e+01 2.311177967e+01 4.541216334e+01 1.70 8.202494209e+01 2.986664655e+01 7.051734781e+01 8.221373997e+01 8.240180064e+01 1.984282030e+01 4.121514681e+01 6.844819004e+01 2.097437459e+01 4.080585704e+01 1.72 7.281693175e+01 2.678798863e+01 6.477285016e+01 7.339635092e+01 7.398172341e+01 1.768321815e+01 3.768332686e+01 6.164284798e+01 1.885524348e+01 3.667033511e+01 1.74 6.507308363e+01 2.402427018e+01 5.887759118e+01 6.587314519e+01 6.668598606e+01 1.533026750e+01 3.427868847e+01 5.636160544e+01 1.673175847e+01 3.311952230e+01 1.76 5.943102978e+01 2.160260173e+01 5.295180932e+01 6.016761588e+01 6.091788149e+01 1.282943874e+01 3.103968202e+01 5.221931679e+01 1.465310122e+01 3.021790847e+01 1.78 5.518509913e+01 1.944339394e+01 4.712692204e+01 5.568946867e+01 5.620370982e+01 1.019957648e+01 2.800589335e+01 4.835249214e+01 1.266848832e+01 2.775141923e+01 1.80 5.120460603e+01 1.744280275e+01 4.156352654e+01 5.149611856e+01 5.179389052e+01 7.456899365e+00 2.521519320e+01 4.473165990e+01 1.082699861e+01 2.545579944e+01 1.82 4.747193741e+01 1.559022145e+01 3.647147217e+01 4.759038924e+01 4.771207118e+01 4.692106322e+00 2.269962545e+01 4.134206977e+01 9.177597527e+00 2.331942569e+01 1.84 4.397252585e+01 1.387587306e+01 3.210431107e+01 4.397302241e+01 4.397462372e+01 2.203700153e+00 2.047956935e+01 3.816418159e+01 7.765678508e+00 2.133186988e+01 1.86 4.069264233e+01 1.229059356e+01 2.869271729e+01 4.063859531e+01 4.058463307e+01 5.373553669e-01 1.855742203e+01 3.511692184e+01 6.549144469e+00 1.948337608e+01 1.88 3.761934803e+01 1.082579449e+01 2.616701351e+01 3.756283731e+01 3.750632659e+01 -1.067927350e-01 1.684772866e+01 3.218466697e+01 5.451387931e+00 1.776481712e+01 1.90 3.474044899e+01 9.473427771e+00 2.387043405e+01 3.468607868e+01 3.463170837e+01 -6.092843438e-01 1.514586286e+01 2.937992798e+01 4.350152910e+00 1.616765398e+01 1.92 3.204445337e+01 8.225952689e+00 2.172732367e+01 3.199214004e+01 3.193982671e+01 -1.069521849e+00 1.337157429e+01 2.671788335e+01 3.240205110e+00 1.468389780e+01 1.94 2.952053118e+01 7.076304804e+00 1.972840307e+01 2.947019476e+01 2.941985834e+01 -1.490204161e+00 1.156796018e+01 2.421479625e+01 2.146981017e+00 1.330607443e+01 1.96 2.709108849e+01 6.017866786e+00 1.786492834e+01 2.704354841e+01 2.699600832e+01 -1.873874769e+00 9.776965112e+00 2.184180474e+01 1.098595374e+00 1.194844596e+01 1.98 2.461549405e+01 5.044440984e+00 1.612866076e+01 2.457345227e+01 2.453141050e+01 -2.222930245e+00 8.038911155e+00 1.952234717e+01 1.319543135e-01 1.045805722e+01 2.00 2.212150911e+01 4.150223659e+00 1.451183836e+01 2.208749789e+01 2.205348668e+01 -2.539628298e+00 6.394891855e+00 1.728647456e+01 -7.033177063e-01 8.880492410e+00 2.02 1.964592834e+01 3.329780770e+00 1.300714898e+01 1.962222435e+01 1.959852035e+01 -2.826095400e+00 4.890856023e+00 1.516911502e+01 -1.350821264e+00 7.262401037e+00 2.04 1.722835983e+01 2.578025221e+00 1.160770491e+01 1.721687476e+01 1.720538970e+01 -3.084334003e+00 3.579645946e+00 1.319993518e+01 -1.767966704e+00 5.640407351e+00 2.06 1.491240107e+01 1.890195486e+00 1.030701886e+01 1.491443875e+01 1.491647644e+01 -3.316229376e+00 2.515142059e+00 1.135100645e+01 -2.035640572e+00 4.042486687e+00 2.08 1.274690157e+01 1.261835525e+00 9.098981361e+00 1.276278464e+01 1.277866772e+01 -3.523556069e+00 1.735302323e+00 9.635610549e+00 -2.275605739e+00 2.497705170e+00 2.10 1.078518432e+01 6.887759161e-01 7.977839357e+00 1.081382937e+01 1.084247443e+01 -3.707984035e+00 1.174885420e+00 8.085284168e+00 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