# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1999--Hauch-J-A-Holland-D-Marder-M-P-Swinney-H-L--Si # implementation = SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_002 # 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 2024-11-27 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 6.133953808e+04 nan nan nan nan 0.66 nan nan nan nan nan 5.086903585e+04 nan nan nan nan 0.68 nan nan nan nan nan 4.238635089e+04 nan nan 5.611070544e+04 nan 0.70 nan nan nan nan nan 3.545689725e+04 nan nan 4.699277252e+04 nan 0.72 nan nan nan nan nan 2.976101933e+04 nan nan 3.958345909e+04 nan 0.74 nan 6.034702545e+04 nan nan nan 2.507573275e+04 nan nan 3.352043920e+04 6.033806344e+04 0.76 nan 5.129604634e+04 nan nan nan 2.125291567e+04 5.282435516e+04 nan 2.851847518e+04 5.125285452e+04 0.78 nan 4.378605658e+04 nan nan nan 1.814960924e+04 4.500393020e+04 nan 2.435155644e+04 4.376398473e+04 0.80 nan 3.750754105e+04 nan nan nan 1.560502280e+04 3.851348223e+04 nan 2.084310302e+04 3.754498945e+04 0.82 nan 3.223202158e+04 5.502566615e+04 nan nan 1.346820255e+04 3.311602238e+04 5.801728534e+04 1.787082498e+04 3.234157856e+04 0.84 5.645854369e+04 2.779145523e+04 4.754249257e+04 5.638977220e+04 5.634705224e+04 1.163857408e+04 2.861109600e+04 5.007036657e+04 1.535601082e+04 2.794013712e+04 0.86 4.887179469e+04 2.404091170e+04 4.115231520e+04 4.885503748e+04 4.883453476e+04 1.006099725e+04 2.481629959e+04 4.330994483e+04 1.323477115e+04 2.417713539e+04 0.88 4.240531108e+04 2.085862956e+04 3.568145604e+04 4.244342405e+04 4.245538192e+04 8.700039228e+03 2.157725238e+04 3.756401016e+04 1.144457266e+04 2.095086068e+04 0.90 3.690050062e+04 1.814922589e+04 3.101648931e+04 3.697196018e+04 3.700816344e+04 7.531724680e+03 1.878727201e+04 3.269166480e+04 9.929032416e+03 1.820012598e+04 0.92 3.221661876e+04 1.583533194e+04 2.705046605e+04 3.228788140e+04 3.233002084e+04 6.534624250e+03 1.638277472e+04 2.855961406e+04 8.643495807e+03 1.586466332e+04 0.94 2.823213217e+04 1.385815730e+04 2.367523078e+04 2.827154110e+04 2.830266983e+04 5.684773367e+03 1.431620502e+04 2.504394901e+04 7.552045310e+03 1.387306970e+04 0.96 2.483718821e+04 1.216316951e+04 2.079997139e+04 2.482804973e+04 2.483808527e+04 4.957934030e+03 1.254027606e+04 2.203372736e+04 6.622858138e+03 1.215748867e+04 0.98 2.191800545e+04 1.069941827e+04 1.834858670e+04 2.187062107e+04 2.185867912e+04 4.333524235e+03 1.101024281e+04 1.943301963e+04 5.828644467e+03 1.067085404e+04 1.00 1.937760873e+04 9.429822056e+03 1.624732695e+04 1.931999491e+04 1.929240770e+04 3.795831096e+03 9.686595245e+03 1.716937286e+04 5.145627697e+03 9.383419003e+03 1.02 1.715441273e+04 8.326732957e+03 1.442312535e+04 1.710953869e+04 1.707555976e+04 3.331716306e+03 8.535861853e+03 1.519224082e+04 4.553495074e+03 8.272789151e+03 1.04 1.520700481e+04 7.363974117e+03 1.281281342e+04 1.518407254e+04 1.515261168e+04 2.928613843e+03 7.533098292e+03 1.346217224e+04 4.036013706e+03 7.317874877e+03 1.06 1.350095531e+04 6.519170313e+03 1.137811060e+04 1.349938355e+04 1.347754917e+04 2.576677158e+03 6.662164392e+03 1.194602353e+04 3.580528819e+03 6.496741673e+03 1.08 1.200571096e+04 5.777189566e+03 1.010177622e+04 1.202057960e+04 1.201320746e+04 2.269607351e+03 5.910275024e+03 1.061648400e+04 3.177377666e+03 5.788151949e+03 1.10 1.069428879e+04 5.128061440e+03 8.972622796e+03 1.071861347e+04 1.072707971e+04 2.002878766e+03 5.262960301e+03 9.449832818e+03 2.818629505e+03 5.173607339e+03 1.12 9.542407831e+03 4.562004137e+03 7.979747837e+03 9.568624600e+03 9.589981822e+03 1.772806213e+03 4.704563636e+03 8.423825616e+03 2.498287859e+03 4.637013663e+03 1.14 8.527780225e+03 4.067930528e+03 7.110491137e+03 8.550143588e+03 8.578119601e+03 1.575648195e+03 4.220150584e+03 7.519046716e+03 2.212532170e+03 4.164131870e+03 1.16 7.631231748e+03 3.635128556e+03 6.349642287e+03 7.647065111e+03 7.674723426e+03 1.406978347e+03 3.796460678e+03 6.720151319e+03 1.958614319e+03 3.743203090e+03 1.18 6.836357266e+03 3.255224544e+03 5.681425353e+03 6.846284175e+03 6.868596659e+03 1.262041859e+03 3.422274937e+03 6.015032920e+03 1.733903587e+03 3.364409174e+03 1.20 6.130784278e+03 2.922135454e+03 5.092516691e+03 6.136836947e+03 6.151185406e+03 1.136447030e+03 3.088239921e+03 5.394325755e+03 1.535771952e+03 3.020466882e+03 1.22 5.506797686e+03 2.630400527e+03 4.573135657e+03 5.509747360e+03 5.515186341e+03 1.026478268e+03 2.786786983e+03 4.850386501e+03 1.361829585e+03 2.707192719e+03 1.24 4.958152727e+03 2.374120830e+03 4.115229998e+03 4.957162119e+03 4.953964850e+03 9.288758893e+02 2.512501660e+03 4.375102892e+03 1.209902971e+03 2.421991677e+03 1.26 4.477595550e+03 2.147090077e+03 3.711618050e+03 4.471620192e+03 4.461074808e+03 8.410094359e+02 2.262065638e+03 3.958979902e+03 1.077829440e+03 2.162855333e+03 1.28 4.056677668e+03 1.943553559e+03 3.356638292e+03 4.045470708e+03 4.029577062e+03 7.613509996e+02 2.033620473e+03 3.591859110e+03 9.632555285e+02 1.928528848e+03 1.30 3.685956312e+03 1.758823962e+03 3.045612544e+03 3.670333587e+03 3.651499687e+03 6.892649315e+02 1.825849547e+03 3.264180788e+03 8.636345191e+02 1.718303054e+03 1.32 3.355577870e+03 1.589657499e+03 2.773376343e+03 3.337526713e+03 3.318338479e+03 6.242993723e+02 1.637475586e+03 2.968266662e+03 7.765222366e+02 1.531410967e+03 1.34 3.056818009e+03 1.434413547e+03 2.533790020e+03 3.039246248e+03 3.022151776e+03 5.658621309e+02 1.467177717e+03 2.698992951e+03 6.999274155e+02 1.366731715e+03 1.36 2.783842386e+03 1.292537269e+03 2.320220407e+03 2.769651925e+03 2.756542003e+03 5.132076480e+02 1.313551070e+03 2.453453091e+03 6.324196583e+02 1.222741141e+03 1.38 2.533934538e+03 1.163750408e+03 2.126492370e+03 2.524977584e+03 2.516914867e+03 4.654986424e+02 1.175185802e+03 2.229903726e+03 5.729271996e+02 1.097518716e+03 1.40 2.305795132e+03 1.047648759e+03 1.947905855e+03 2.302634836e+03 2.299935127e+03 4.219247346e+02 1.050867453e+03 2.026801658e+03 5.205029412e+02 9.888162792e+02 1.42 2.098174289e+03 9.436285877e+02 1.781641913e+03 2.100465262e+03 2.102903524e+03 3.818470594e+02 9.396952092e+02 1.842572057e+03 4.742124086e+02 8.942256188e+02 1.44 1.909706474e+03 8.508721826e+02 1.626378771e+03 1.916563129e+03 1.923445203e+03 3.448695616e+02 8.409867211e+02 1.675718403e+03 4.330993423e+02 8.114592331e+02 1.46 1.739044805e+03 7.683523962e+02 1.481588915e+03 1.749236807e+03 1.759430514e+03 3.107532173e+02 7.540598416e+02 1.524828093e+03 3.962543723e+02 7.386628863e+02 1.48 1.584910400e+03 6.948690184e+02 1.346909341e+03 1.596964190e+03 1.609017997e+03 2.792800156e+02 6.780952044e+02 1.388446749e+03 3.629161059e+02 6.745330812e+02 1.50 1.445967695e+03 6.291311810e+02 1.221929040e+03 1.458340901e+03 1.470714107e+03 2.502161736e+02 6.121229311e+02 1.265049279e+03 3.325043793e+02 6.180730316e+02 1.52 1.320672453e+03 5.698869861e+02 1.106225653e+03 1.332015778e+03 1.343359103e+03 2.233391031e+02 5.550596278e+02 1.153146621e+03 3.045785868e+02 5.682569246e+02 1.54 1.207284972e+03 5.160684200e+02 9.994399567e+02 1.216644575e+03 1.226004178e+03 1.984749769e+02 5.057694572e+02 1.051372435e+03 2.787926227e+02 5.239459180e+02 1.56 1.104027935e+03 4.668891447e+02 9.013237473e+02 1.110901005e+03 1.117774076e+03 1.755215748e+02 4.631308972e+02 9.584985068e+02 2.548708299e+02 4.839809907e+02 1.58 1.009326540e+03 4.218544525e+02 8.117119810e+02 1.013606819e+03 1.017887098e+03 1.544338931e+02 4.260744274e+02 8.734751834e+02 2.325860624e+02 4.473427853e+02 1.60 9.220427513e+02 3.806911376e+02 7.304365478e+02 9.239010724e+02 9.257593935e+02 1.351837649e+02 3.935840466e+02 7.955207452e+02 2.117589627e+02 4.133136820e+02 1.62 8.415403572e+02 3.432420020e+02 6.572658315e+02 8.412871508e+02 8.410339444e+02 1.177339956e+02 3.647209701e+02 7.241155792e+02 1.922740487e+02 3.815291027e+02 1.64 7.674910833e+02 3.093839881e+02 5.918883388e+02 7.654848907e+02 7.634786981e+02 1.020327306e+02 3.386878939e+02 6.588583195e+02 1.740766487e+02 3.518518683e+02 1.66 6.996122557e+02 2.789779934e+02 5.339081170e+02 6.962316471e+02 6.928510384e+02 8.801222102e+01 3.148637720e+02 5.993326500e+02 1.571436525e+02 3.241974879e+02 1.68 6.375604704e+02 2.518511796e+02 4.828429927e+02 6.332009126e+02 6.288413548e+02 7.558805068e+01 2.927858877e+02 5.450830461e+02 1.414532497e+02 2.984630386e+02 1.70 5.809284472e+02 2.277970193e+02 4.381268161e+02 5.759986396e+02 5.710688320e+02 6.465888551e+01 2.721278481e+02 4.956476356e+02 1.269738525e+02 2.745220592e+02 1.72 5.292656469e+02 2.065805049e+02 3.991180838e+02 5.241777433e+02 5.190898398e+02 5.510698469e+01 2.526904688e+02 4.506043600e+02 1.136625823e+02 2.522314433e+02 1.74 4.821136597e+02 1.879475715e+02 3.651177607e+02 4.772643961e+02 4.724151325e+02 4.679981371e+01 2.343675659e+02 4.096095086e+02 1.014652984e+02 2.314441292e+02 1.76 4.390537900e+02 1.716381280e+02 3.353980395e+02 4.347948664e+02 4.305359428e+02 3.959322955e+01 2.170872893e+02 3.724056054e+02 9.031771923e+01 2.120266541e+02 1.78 3.997537578e+02 1.573990710e+02 3.092396884e+02 3.963541952e+02 3.929546326e+02 3.333681407e+01 2.007772756e+02 3.387941839e+02 8.014800704e+01 1.938766591e+02 1.80 3.639881890e+02 1.449901468e+02 2.859694728e+02 3.615990734e+02 3.592099577e+02 2.788186366e+01 1.853625257e+02 3.086015440e+02 7.088097698e+01 1.769308338e+02 1.82 3.316115781e+02 1.341772496e+02 2.649890981e+02 3.302498310e+02 3.288880840e+02 2.309198120e+01 1.707737796e+02 2.816552628e+02 6.244350492e+01 1.611553572e+02 1.84 3.025001309e+02 1.247204215e+02 2.458016699e+02 3.020628082e+02 3.016254854e+02 1.885473224e+01 1.569570259e+02 2.577634855e+02 5.476967312e+01 1.465249967e+02 1.86 2.765102973e+02 1.163738034e+02 2.280468607e+02 2.768142960e+02 2.771182946e+02 1.509038563e+01 1.438795564e+02 2.367014954e+02 4.780325713e+01 1.330084266e+02 1.88 2.534668003e+02 1.089013444e+02 2.115211191e+02 2.542973781e+02 2.551279560e+02 1.175202125e+01 1.315279295e+02 2.182089659e+02 4.149592844e+01 1.205641553e+02 1.90 2.331600704e+02 1.020977780e+02 1.961454886e+02 2.343102349e+02 2.354603994e+02 8.814468813e+00 1.198983561e+02 2.019927468e+02 3.580305712e+01 1.091397961e+02 1.92 2.153451384e+02 9.580367283e+01 1.818961095e+02 2.166358394e+02 2.179265405e+02 6.259179697e+00 1.089874543e+02 1.877341568e+02 3.068122673e+01 9.867203102e+01 1.94 1.997424236e+02 8.990544648e+01 1.687544300e+02 2.010290701e+02 2.023157166e+02 4.066107809e+00 9.878868403e+01 1.751020980e+02 2.608832022e+01 8.908741710e+01 1.96 1.860420022e+02 8.432251930e+01 1.566935188e+02 1.872169593e+02 1.883919165e+02 2.212551840e+00 8.929161393e+01 1.637722328e+02 2.198481449e+01 8.030441709e+01 1.98 1.739134640e+02 7.899661537e+01 1.456760113e+02 1.749071705e+02 1.759008770e+02 6.732786642e-01 8.048153668e+01 1.534496516e+02 1.833526142e+01 7.223702918e+01 2.00 1.630234295e+02 7.388873612e+01 1.356528593e+02 1.638034476e+02 1.645834658e+02 -5.793996380e-01 7.233917798e+01 1.438891671e+02 1.510840977e+01 6.480021461e+01 2.02 1.530612603e+02 6.897510061e+01 1.265622894e+02 1.536282364e+02 1.541952126e+02 -1.575501437e+00 6.484056283e+01 1.349072615e+02 1.227525786e+01 5.791680125e+01 2.04 1.437694444e+02 6.424087594e+01 1.183292311e+02 1.441493525e+02 1.445292607e+02 -2.347156256e+00 5.795712059e+01 1.263846874e+02 9.806261020e+00 5.152456600e+01 2.06 1.349687900e+02 5.967683961e+01 1.108655926e+02 1.352020727e+02 1.354353553e+02 -2.928215569e+00 5.165612790e+01 1.182606313e+02 7.669867281e+00 4.558098368e+01 2.08 1.265642010e+02 5.527866231e+01 1.040718958e+02 1.266942786e+02 1.268243561e+02 -3.353574437e+00 4.590159234e+01 1.105152259e+02 5.832803767e+00 4.006272411e+01 2.10 1.185235735e+02 5.104556348e+01 9.784084960e+01 1.185882508e+02 1.186529281e+02 -3.658052514e+00 4.065564971e+01 1.031457267e+02 4.261078068e+00 3.495917740e+01 2.12 1.108432255e+02 4.697828450e+01 9.206332457e+01 1.108709336e+02 1.108986417e+02 -3.874709402e+00 3.588045232e+01 9.615168290e+01 2.921297590e+00 3.026398652e+01 2.14 1.035249444e+02 4.307781519e+01 8.663668193e+01 1.035346037e+02 1.035442630e+02 -4.032628320e+00 3.154032911e+01 8.953128965e+01 1.782228196e+00 2.597011340e+01 2.16 9.656994731e+01 3.934508385e+01 8.147431638e+01 9.657243851e+01 9.657492971e+01 -4.154558811e+00 2.760370098e+01 8.328096819e+01 8.163301439e-01 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