# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Byggmastar-J-Hodille-E-A-Ferro-Y-Nordlund-K--Be-O # implementation = 2018--Byggmastar-J--Be-O--LAMMPS--ipr1 # composition = O # 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 1.177658036e+03 nan nan 1.373658364e+03 nan 0.52 nan nan nan nan nan 1.017502941e+03 nan nan 1.190742299e+03 nan 0.54 nan nan nan nan nan 8.846430556e+02 nan nan 1.035967312e+03 nan 0.56 nan 1.274296723e+03 nan nan nan 7.722351443e+02 1.300286844e+03 nan 9.038416552e+02 1.283387390e+03 0.58 nan 1.120809586e+03 nan nan nan 6.758249917e+02 1.144099809e+03 nan 7.906674930e+02 1.128510009e+03 0.60 nan 9.880675087e+02 1.358967634e+03 nan nan 5.925559504e+02 1.009475868e+03 nan 6.933611102e+02 9.950725741e+02 0.62 1.336104044e+03 8.732684349e+02 1.205114598e+03 1.337056221e+03 1.337869651e+03 5.210110572e+02 8.930936462e+02 1.244526909e+03 6.092125146e+02 8.803347144e+02 0.64 1.191210575e+03 7.739634873e+02 1.072297711e+03 1.191049334e+03 1.191509561e+03 4.598441941e+02 7.919376367e+02 1.108579025e+03 5.365035949e+02 7.805869017e+02 0.66 1.064310392e+03 6.868365440e+02 9.568378559e+02 1.063545732e+03 1.063411696e+03 4.067293895e+02 7.035141977e+02 9.894125200e+02 4.738466223e+02 6.925347675e+02 0.68 9.524893255e+02 6.108231106e+02 8.565194731e+02 9.518463643e+02 9.512505065e+02 3.607483612e+02 6.254876992e+02 8.848491875e+02 4.196465769e+02 6.149462171e+02 0.70 8.540481413e+02 5.441100375e+02 7.672116075e+02 8.536437479e+02 8.528711616e+02 3.198262655e+02 5.559535727e+02 7.930173269e+02 3.725697550e+02 5.468396544e+02 0.72 7.674757644e+02 4.845930125e+02 6.876974819e+02 7.672418509e+02 7.666156623e+02 2.833790359e+02 4.945935132e+02 7.116497944e+02 3.316029650e+02 4.872031368e+02 0.74 6.903439781e+02 4.313970361e+02 6.172401954e+02 6.903753029e+02 6.903181458e+02 2.510827622e+02 4.409300206e+02 6.388310660e+02 2.951946231e+02 4.353915822e+02 0.76 6.209604281e+02 3.843752488e+02 5.546519396e+02 6.213315201e+02 6.218220029e+02 2.229240880e+02 3.941473064e+02 5.736226330e+02 2.625888370e+02 3.903279339e+02 0.78 5.589479065e+02 3.427518144e+02 4.984596965e+02 5.593662786e+02 5.600988413e+02 1.983791302e+02 3.530923424e+02 5.153110995e+02 2.336108862e+02 3.511770324e+02 0.80 5.031011479e+02 3.061134947e+02 4.476606322e+02 5.037138412e+02 5.045322541e+02 1.768301086e+02 3.170384784e+02 4.631210861e+02 2.078177958e+02 3.159328650e+02 0.82 4.531672232e+02 2.742623534e+02 4.021975942e+02 4.537996302e+02 4.544354837e+02 1.581938210e+02 2.851523463e+02 4.168476328e+02 1.847249222e+02 2.840765347e+02 0.84 4.089114692e+02 2.464184870e+02 3.613972309e+02 4.092613127e+02 4.094733033e+02 1.415692629e+02 2.566780871e+02 3.760695245e+02 1.641222720e+02 2.552512841e+02 0.86 3.700396344e+02 2.216364384e+02 3.249348601e+02 3.698775004e+02 3.695468134e+02 1.265598438e+02 2.311282771e+02 3.400953958e+02 1.459713049e+02 2.291921732e+02 0.88 3.354942506e+02 1.990033184e+02 2.928351653e+02 3.347739623e+02 3.340468990e+02 1.131688121e+02 2.081566008e+02 3.076643031e+02 1.298490322e+02 2.052812848e+02 0.90 3.039707283e+02 1.783562409e+02 2.649910533e+02 3.030863162e+02 3.022658384e+02 1.013934311e+02 1.873189848e+02 2.781965139e+02 1.154017664e+02 1.835286127e+02 0.92 2.752787577e+02 1.596853837e+02 2.405820735e+02 2.745175915e+02 2.737743344e+02 9.118009745e+01 1.683123215e+02 2.516153045e+02 1.025197544e+02 1.640128604e+02 0.94 2.493630723e+02 1.429621952e+02 2.187049262e+02 2.488410054e+02 2.483014236e+02 8.214854399e+01 1.507309746e+02 2.276247434e+02 9.122829558e+01 1.468025659e+02 0.96 2.259853117e+02 1.281299894e+02 1.989478540e+02 2.257912577e+02 2.255681897e+02 7.412637593e+01 1.346092443e+02 2.059103412e+02 8.145608661e+01 1.315400826e+02 0.98 2.047367480e+02 1.150281314e+02 1.809763143e+02 2.049656075e+02 2.051564947e+02 6.703907396e+01 1.199904139e+02 1.863502875e+02 7.293754600e+01 1.177946392e+02 1.00 1.855677369e+02 1.035269587e+02 1.646014533e+02 1.861473385e+02 1.866842709e+02 6.077184683e+01 1.068847466e+02 1.687590026e+02 6.547185630e+01 1.055938158e+02 1.02 1.684542824e+02 9.336435981e+01 1.492505638e+02 1.691594983e+02 1.698223004e+02 5.494246075e+01 9.518516561e+01 1.530302292e+02 5.882904032e+01 9.498792711e+01 1.04 1.532395134e+02 8.406242350e+01 1.348574891e+02 1.538561590e+02 1.544347747e+02 4.947342343e+01 8.486017627e+01 1.389855723e+02 5.292706396e+01 8.585580608e+01 1.06 1.394297260e+02 7.543411911e+01 1.214905218e+02 1.398810096e+02 1.402989820e+02 4.439260631e+01 7.594653058e+01 1.262902268e+02 4.763064013e+01 7.762786151e+01 1.08 1.269116227e+02 6.739648464e+01 1.091840515e+02 1.271553616e+02 1.273701914e+02 3.971650962e+01 6.821055055e+01 1.147336601e+02 4.278643316e+01 7.020016453e+01 1.10 1.156131789e+02 5.994779387e+01 9.795174655e+01 1.156270016e+02 1.156157469e+02 3.545288581e+01 6.152042839e+01 1.041522835e+02 3.836015435e+01 6.352922608e+01 1.12 1.051614761e+02 5.308333642e+01 8.780704854e+01 1.049802604e+02 1.047771360e+02 3.160562847e+01 5.560421117e+01 9.431227515e+01 3.434356827e+01 5.746165952e+01 1.14 9.540751763e+01 4.681146239e+01 7.878303830e+01 9.508914869e+01 9.475148101e+01 2.817986508e+01 5.028070674e+01 8.514518825e+01 3.072622695e+01 5.192120752e+01 1.16 8.636724766e+01 4.114991507e+01 7.091159728e+01 8.597292447e+01 8.556147235e+01 2.518361210e+01 4.551165238e+01 7.663103927e+01 2.749525494e+01 4.688347131e+01 1.18 7.791870277e+01 3.604478738e+01 6.401712113e+01 7.753693237e+01 7.714051031e+01 2.255339989e+01 4.121216218e+01 6.873662257e+01 2.460958679e+01 4.224911791e+01 1.20 7.005530511e+01 3.153799504e+01 5.793892459e+01 6.977052005e+01 6.947377756e+01 2.017582532e+01 3.731162644e+01 6.146156916e+01 2.198508814e+01 3.799910373e+01 1.22 6.278394875e+01 2.770538022e+01 5.246024256e+01 6.263954983e+01 6.248570770e+01 1.797827093e+01 3.373240024e+01 5.481657697e+01 1.958556525e+01 3.412780666e+01 1.24 5.611093413e+01 2.455066819e+01 4.732060652e+01 5.609330059e+01 5.606836617e+01 1.586513546e+01 3.044641697e+01 4.883014562e+01 1.740118058e+01 3.062836616e+01 1.26 5.005710894e+01 2.183271122e+01 4.252775842e+01 5.014958219e+01 5.023631608e+01 1.384602467e+01 2.744203021e+01 4.355771357e+01 1.542753309e+01 2.749302795e+01 1.28 4.467071511e+01 1.951270654e+01 3.808624039e+01 4.484664725e+01 4.501778018e+01 1.191985840e+01 2.470730519e+01 3.905576608e+01 1.365708045e+01 2.471226096e+01 1.30 4.002381146e+01 1.748342552e+01 3.399972046e+01 4.023956948e+01 4.045117228e+01 1.007740186e+01 2.222964495e+01 3.522139110e+01 1.201571765e+01 2.227240237e+01 1.32 3.617570619e+01 1.568483133e+01 3.027465930e+01 3.637220046e+01 3.656545130e+01 8.308236286e+00 1.993987181e+01 3.197830258e+01 1.048345341e+01 2.015252477e+01 1.34 3.302673743e+01 1.409030404e+01 2.692312317e+01 3.315792125e+01 3.328712183e+01 6.615877445e+00 1.779949430e+01 2.906588097e+01 9.069433429e+00 1.830441422e+01 1.36 3.014203936e+01 1.264943449e+01 2.396232990e+01 3.022100711e+01 3.029898339e+01 5.045608914e+00 1.581823545e+01 2.636448289e+01 7.780692304e+00 1.658310688e+01 1.38 2.741337533e+01 1.134504697e+01 2.140830348e+01 2.745917801e+01 2.750463687e+01 3.717112216e+00 1.400270908e+01 2.382974393e+01 6.624056241e+00 1.490135530e+01 1.40 2.484249040e+01 1.016472641e+01 1.926347314e+01 2.487287718e+01 2.490323322e+01 2.810844044e+00 1.235665280e+01 2.146229067e+01 5.607828003e+00 1.327861194e+01 1.42 2.243173012e+01 9.097161317e+00 1.747065850e+01 2.246046895e+01 2.248920778e+01 2.360317502e+00 1.086603196e+01 1.926284194e+01 4.734376235e+00 1.173166813e+01 1.44 2.018231803e+01 8.132046976e+00 1.585016327e+01 2.021110971e+01 2.023990140e+01 1.995995047e+00 9.504744475e+00 1.723129209e+01 3.953583907e+00 1.027205653e+01 1.46 1.809450144e+01 7.259997087e+00 1.437024956e+01 1.812360736e+01 1.815271328e+01 1.668874066e+00 8.272725970e+00 1.536694293e+01 3.258403594e+00 8.906230254e+00 1.48 1.616788228e+01 6.472463096e+00 1.301915401e+01 1.619749815e+01 1.622711401e+01 1.375647653e+00 7.170498043e+00 1.366872635e+01 2.655901278e+00 7.636337195e+00 1.50 1.440182127e+01 5.761660554e+00 1.178607755e+01 1.443206205e+01 1.446230283e+01 1.113283791e+00 6.199189844e+00 1.213526513e+01 2.154476183e+00 6.461736271e+00 1.52 1.279576175e+01 5.120501895e+00 1.066110726e+01 1.282664083e+01 1.285751990e+01 8.790033160e-01 5.360190115e+00 1.076462350e+01 1.760477229e+00 5.381474269e+00 1.54 1.134928273e+01 4.542535074e+00 9.635144541e+00 1.138068923e+01 1.141209574e+01 6.702596229e-01 4.638280232e+00 9.552333412e+00 1.473398850e+00 4.397883591e+00 1.56 1.006169416e+01 4.018213364e+00 8.699839052e+00 1.009337631e+01 1.012505846e+01 4.847199658e-01 4.019090282e+00 8.476567984e+00 1.241789527e+00 3.520913031e+00 1.58 8.931083902e+00 3.516882026e+00 7.847527969e+00 8.962649394e+00 8.994214887e+00 3.202482324e-01 3.495701952e+00 7.526995965e+00 1.016449213e+00 2.771200961e+00 1.60 7.952948209e+00 3.037631973e+00 7.071180159e+00 7.983892278e+00 8.014836346e+00 1.748890744e-01 3.016259208e+00 6.697097540e+00 7.994883924e-01 2.177417127e+00 1.62 7.118834541e+00 2.585582694e+00 6.364344846e+00 7.148598981e+00 7.178363421e+00 4.685328968e-02 2.569929028e+00 5.978296048e+00 5.930132866e-01 1.763412948e+00 1.64 6.402386480e+00 2.164731258e+00 5.721104412e+00 6.430574122e+00 6.458761765e+00 -6.549564402e-02 2.157673631e+00 5.351737912e+00 3.985222349e-01 1.496390764e+00 1.66 5.751867204e+00 1.777852530e+00 5.126408936e+00 5.778533973e+00 5.805200742e+00 -1.636539718e-01 1.779906953e+00 4.783730776e+00 2.169561622e-01 1.263114280e+00 1.68 5.159027745e+00 1.426494269e+00 4.554801226e+00 5.184255699e+00 5.209483653e+00 -2.489890850e-01 1.436657436e+00 4.267598362e+00 4.880424942e-02 1.053714805e+00 1.70 4.619084536e+00 1.111054075e+00 4.009476490e+00 4.642951305e+00 4.666818075e+00 -3.227500412e-01 1.127757230e+00 3.798931079e+00 -1.057337804e-01 8.660683039e-01 1.72 4.127635842e+00 8.194889093e-01 3.494382774e+00 4.150214870e+00 4.172793898e+00 -3.860772510e-01 8.530216301e-01 3.373679317e+00 -2.465323156e-01 6.982272207e-01 1.74 3.680632000e+00 5.455705354e-01 3.012626650e+00 3.701992766e+00 3.723353531e+00 -4.400113970e-01 6.123688134e-01 2.988124784e+00 -3.732869476e-01 5.484063706e-01 1.76 3.274347932e+00 2.945571029e-01 2.566425381e+00 3.294556168e+00 3.314764403e+00 -4.855016439e-01 4.058219389e-01 2.638854083e+00 -4.852625765e-01 4.149699363e-01 1.78 2.905357783e+00 7.046379133e-02 2.157123690e+00 2.924475673e+00 2.943593564e+00 -5.234131967e-01 2.333465231e-01 2.322734362e+00 -5.811165000e-01 2.964194807e-01 1.80 2.570511499e+00 -1.237081547e-01 1.785267581e+00 2.588597874e+00 2.606684249e+00 -5.545342555e-01 9.392291850e-02 2.036890883e+00 -6.589079004e-01 1.913828969e-01 1.82 2.266913214e+00 -2.856536451e-01 1.450725126e+00 2.284023729e+00 2.301134245e+00 -5.795824159e-01 -1.788629397e-02 1.778686345e+00 -7.164122289e-01 9.860422435e-02 1.84 1.991901298e+00 -4.134555316e-01 1.152840069e+00 2.008088606e+00 2.024275915e+00 -5.992105578e-01 -1.039050876e-01 1.545701841e+00 -7.517837638e-01 1.693426388e-02 1.86 1.743029945e+00 -5.054971661e-01 8.905983351e-01 1.758343859e+00 1.773657772e+00 -6.140122617e-01 -1.744273606e-01 1.325953987e+00 -7.644245604e-01 -5.467806938e-02 1.88 1.518052185e+00 -5.610066547e-01 6.627802729e-01 1.532539828e+00 1.547027472e+00 -6.245267903e-01 -2.384007773e-01 1.104140530e+00 -7.579845085e-01 -1.171937132e-01 1.90 1.314904203e+00 -5.928212738e-01 4.680653003e-01 1.328610158e+00 1.342316113e+00 -6.312436700e-01 -2.956006429e-01 8.855504023e-01 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