# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--OBrien-C-J-Barr-C-M-Price-P-M-et-al--Pt-Au # implementation = 2017--OBrien-C-J--Pt-Au--LAMMPS--ipr1 # composition = Pt # 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 1.646498066e+03 nan 0.74 nan nan nan nan nan nan nan nan 1.487949808e+03 nan 0.76 nan nan nan nan nan nan nan nan 1.346842017e+03 nan 0.78 nan nan nan nan nan 1.049806449e+03 nan nan 1.220956988e+03 nan 0.80 nan nan nan nan nan 9.534111895e+02 nan nan 1.108267893e+03 nan 0.82 nan nan nan nan nan 8.670028475e+02 nan nan 1.007186462e+03 nan 0.84 nan nan nan nan nan 7.894044623e+02 nan nan 9.164366011e+02 nan 0.86 nan nan nan nan nan 7.195697404e+02 nan nan 8.347965780e+02 nan 0.88 nan nan nan nan nan 6.567393798e+02 nan nan 7.612002104e+02 nan 0.90 nan 9.989616668e+02 nan 1.556715672e+03 1.556711795e+03 6.001220835e+02 nan nan 6.947875555e+02 1.011799133e+03 0.92 nan 9.150843147e+02 nan 1.432990863e+03 1.432977173e+03 5.488863098e+02 9.391076692e+02 nan 6.347521509e+02 9.277939512e+02 0.94 nan 8.389464317e+02 nan 1.320411708e+03 1.320431465e+03 5.024149125e+02 8.616857699e+02 nan 5.803479935e+02 8.514301603e+02 0.96 nan 7.697138623e+02 nan 1.217727326e+03 1.217778128e+03 4.602586999e+02 7.912410809e+02 nan 5.309689353e+02 7.820579188e+02 0.98 nan 7.066759375e+02 nan 1.123904590e+03 1.123951697e+03 4.219922700e+02 7.270572719e+02 nan 4.861206435e+02 7.189353633e+02 1.00 nan 6.492215429e+02 nan 1.038121875e+03 1.038150790e+03 3.872193371e+02 6.685522190e+02 9.602780948e+02 4.453414891e+02 6.613536145e+02 1.02 9.595869925e+02 5.967761984e+02 8.560737129e+02 9.596037355e+02 9.596170241e+02 3.555551065e+02 6.151390932e+02 8.869283283e+02 4.082204833e+02 6.088096402e+02 1.04 8.876665444e+02 5.488779853e+02 7.908164286e+02 8.875954240e+02 8.875909742e+02 3.266906534e+02 5.663477972e+02 8.196872437e+02 3.744037499e+02 5.608193129e+02 1.06 8.215837779e+02 5.050937214e+02 7.309732336e+02 8.214828598e+02 8.214730047e+02 3.003657694e+02 5.217637743e+02 7.579402375e+02 3.435683107e+02 5.168578785e+02 1.08 7.608288668e+02 4.650043455e+02 6.760360630e+02 7.607729447e+02 7.607695690e+02 2.763091926e+02 4.809561536e+02 7.012083976e+02 3.154186188e+02 4.765043878e+02 1.10 7.049199706e+02 4.282233374e+02 6.255334625e+02 7.049595135e+02 7.049698324e+02 2.542733226e+02 4.434887545e+02 6.490796463e+02 2.896867234e+02 4.394819642e+02 1.12 6.534646154e+02 3.944924106e+02 5.790440915e+02 6.535602666e+02 6.535914161e+02 2.340723930e+02 4.090438849e+02 6.011382633e+02 2.661401031e+02 4.055463601e+02 1.14 6.060573238e+02 3.635447631e+02 5.361862292e+02 6.061584828e+02 6.062065682e+02 2.155559438e+02 3.773885003e+02 5.569821233e+02 2.445821151e+02 3.744312307e+02 1.16 5.623297018e+02 3.351403226e+02 4.967050242e+02 5.624125248e+02 5.624605282e+02 1.985991366e+02 3.483160851e+02 5.162740477e+02 2.248372442e+02 3.458415100e+02 1.18 5.219917532e+02 3.090362764e+02 4.603700133e+02 5.220278070e+02 5.220555911e+02 1.830814818e+02 3.216001533e+02 4.787459800e+02 2.067419919e+02 3.195194133e+02 1.20 4.847477998e+02 2.850031846e+02 4.268834553e+02 4.847291198e+02 4.847376040e+02 1.688730426e+02 2.970077421e+02 4.441124243e+02 1.901262837e+02 2.952664490e+02 1.22 4.503145036e+02 2.628500396e+02 3.959263703e+02 4.502671610e+02 4.502674649e+02 1.558023050e+02 2.743436779e+02 4.121059017e+02 1.748408009e+02 2.729303880e+02 1.24 4.184350672e+02 2.424401626e+02 3.672865385e+02 4.183931369e+02 4.183903303e+02 1.437383047e+02 2.534491842e+02 3.824938279e+02 1.607753785e+02 2.523578050e+02 1.26 3.888981072e+02 2.236437659e+02 3.408064906e+02 3.888732152e+02 3.888642587e+02 1.326039877e+02 2.341946569e+02 3.550784439e+02 1.478342145e+02 2.333946000e+02 1.28 3.615196266e+02 2.063140507e+02 3.162915816e+02 3.615038442e+02 3.614877611e+02 1.223310026e+02 2.164545953e+02 3.296819972e+02 1.359399509e+02 2.158748379e+02 1.30 3.361133713e+02 1.903199731e+02 2.935579407e+02 3.361118847e+02 3.361018045e+02 1.128547437e+02 2.000878599e+02 3.061318397e+02 1.250105289e+02 1.996543232e+02 1.32 3.125397789e+02 1.755604912e+02 2.724446681e+02 3.125568118e+02 3.125628332e+02 1.040956062e+02 1.849539927e+02 2.842988287e+02 1.149525256e+02 1.846255276e+02 1.34 2.906750787e+02 1.619343651e+02 2.528651579e+02 2.907072220e+02 2.907304340e+02 9.599681453e+01 1.709315155e+02 2.640593636e+02 1.056818762e+02 1.707042827e+02 1.36 2.703800242e+02 1.493313114e+02 2.347391504e+02 2.704221808e+02 2.704564070e+02 8.851996305e+01 1.579301283e+02 2.452878620e+02 9.712645336e+01 1.578392487e+02 1.38 2.515057124e+02 1.376568103e+02 2.179387430e+02 2.515629227e+02 2.516006882e+02 8.161534300e+01 1.458936111e+02 2.278668748e+02 8.923349465e+01 1.459725692e+02 1.40 2.339347330e+02 1.268634034e+02 2.023469158e+02 2.340136112e+02 2.340512437e+02 7.524444278e+01 1.347595564e+02 2.116888168e+02 8.195319027e+01 1.350132711e+02 1.42 2.176131221e+02 1.169076479e+02 1.878562404e+02 2.176903654e+02 2.177233515e+02 6.936267402e+01 1.244597343e+02 1.966736682e+02 7.523265261e+01 1.248725593e+02 1.44 2.024783709e+02 1.077119926e+02 1.743732905e+02 2.025129462e+02 2.025350418e+02 6.391769642e+01 1.149247057e+02 1.827313406e+02 6.902774340e+01 1.154654955e+02 1.46 1.884167380e+02 9.919173912e+01 1.618295843e+02 1.883965412e+02 1.884061026e+02 5.886436707e+01 1.060886453e+02 1.697645480e+02 6.329668210e+01 1.067199328e+02 1.48 1.753209171e+02 9.128183208e+01 1.501765415e+02 1.752567837e+02 1.752534576e+02 5.416949827e+01 9.790523928e+01 1.576865628e+02 5.800128880e+01 9.859321520e+01 1.50 1.630956283e+02 8.394059075e+01 1.393730060e+02 1.630204797e+02 1.630088718e+02 4.981739246e+01 9.033134405e+01 1.464296303e+02 5.311084948e+01 9.104544367e+01 1.52 1.516703301e+02 7.714878223e+01 1.293545638e+02 1.516186414e+02 1.516054981e+02 4.579191520e+01 8.330865577e+01 1.359420062e+02 4.859071066e+01 8.403136764e+01 1.54 1.410146894e+02 7.087508645e+01 1.200349923e+02 1.409930724e+02 1.409814076e+02 4.206371422e+01 7.678300203e+01 1.261794620e+02 4.440575108e+01 7.752655781e+01 1.56 1.310848734e+02 6.506964828e+01 1.113356810e+02 1.310832890e+02 1.310730917e+02 3.860280716e+01 7.070963214e+01 1.170863535e+02 4.052835122e+01 7.149918848e+01 1.58 1.218218630e+02 5.968197525e+01 1.032003977e+02 1.218331583e+02 1.218233728e+02 3.538448173e+01 6.505573209e+01 1.086077760e+02 3.693668444e+01 6.590614469e+01 1.60 1.131786053e+02 5.467149953e+01 9.559527043e+01 1.131987472e+02 1.131875259e+02 3.238700917e+01 5.980332688e+01 1.007010214e+02 3.361159639e+01 6.070988891e+01 1.62 1.051184645e+02 5.000838626e+01 8.849893210e+01 1.051422328e+02 1.051297677e+02 2.959607550e+01 5.493337867e+01 9.333166223e+01 3.053598340e+01 5.588459900e+01 1.64 9.759800210e+01 4.567486275e+01 8.188333448e+01 9.762667161e+01 9.761936996e+01 2.699799541e+01 5.041875561e+01 8.646654281e+01 2.769050539e+01 5.140043434e+01 1.66 9.057619156e+01 4.166281854e+01 7.571282250e+01 9.061253806e+01 9.061821407e+01 2.457657332e+01 4.623495547e+01 8.006995362e+01 2.505141891e+01 4.722909322e+01 1.68 8.401846707e+01 3.795543899e+01 6.995828979e+01 8.406100056e+01 8.408308834e+01 2.232044385e+01 4.235316936e+01 7.410515956e+01 2.259846478e+01 4.334762016e+01 1.70 7.790000217e+01 3.452889717e+01 6.460563849e+01 7.794024468e+01 7.797526457e+01 2.022696578e+01 3.874695011e+01 6.854291224e+01 2.031917206e+01 3.974011984e+01 1.72 7.219426778e+01 3.135580334e+01 5.963348318e+01 7.222204163e+01 7.226187428e+01 1.828841443e+01 3.539522434e+01 6.335391468e+01 1.820546808e+01 3.638952311e+01 1.74 6.686983633e+01 2.840882201e+01 5.500905127e+01 6.687803750e+01 6.691423529e+01 1.649039502e+01 3.227958757e+01 5.851004010e+01 1.624741686e+01 3.327535608e+01 1.76 6.189613658e+01 2.566500888e+01 5.069772643e+01 6.188403026e+01 6.191123777e+01 1.481748552e+01 2.938272597e+01 5.398490170e+01 1.443556860e+01 3.037805265e+01 1.78 5.724020783e+01 2.310844553e+01 4.666881369e+01 5.721802479e+01 5.723621233e+01 1.325642204e+01 2.669104481e+01 4.975289535e+01 1.275878409e+01 2.767490747e+01 1.80 5.287604282e+01 2.073314404e+01 4.290428320e+01 5.285669246e+01 5.286822946e+01 1.180335622e+01 2.419276039e+01 4.579436654e+01 1.120463228e+01 2.515031911e+01 1.82 4.878544857e+01 1.853189700e+01 3.939066476e+01 4.877709019e+01 4.878365688e+01 1.045507136e+01 2.186981506e+01 4.209308695e+01 9.761874960e+00 2.279404442e+01 1.84 4.495702133e+01 1.649361133e+01 3.611458664e+01 4.496027210e+01 4.496253473e+01 9.204476147e+00 1.970470607e+01 3.863843102e+01 8.421401600e+00 2.059903102e+01 1.86 4.137950665e+01 1.460848649e+01 3.306050381e+01 4.138939306e+01 4.138745821e+01 8.041808655e+00 1.768460360e+01 3.542115606e+01 7.176377569e+00 1.855726182e+01 1.88 3.803524429e+01 1.286643937e+01 3.020743568e+01 3.804832779e+01 3.804299671e+01 6.954659540e+00 1.579917670e+01 3.242674483e+01 6.021763360e+00 1.665526928e+01 1.90 3.490816798e+01 1.125854273e+01 2.753717457e+01 3.492365596e+01 3.491618173e+01 5.933107664e+00 1.404035093e+01 2.964210449e+01 4.954784664e+00 1.488094723e+01 1.92 3.199422502e+01 9.771828028e+00 2.503595832e+01 3.200980818e+01 3.200020520e+01 4.971114779e+00 1.240103037e+01 2.705364497e+01 3.972772553e+00 1.322464764e+01 1.94 2.928956998e+01 8.392658008e+00 2.269481698e+01 2.929911660e+01 2.928589928e+01 4.066904039e+00 1.087523867e+01 2.464338697e+01 3.068186708e+00 1.167933056e+01 1.96 2.677889708e+01 7.109557019e+00 2.051146903e+01 2.677636393e+01 2.675854246e+01 3.222007525e+00 9.456208936e+00 2.239205340e+01 2.232797630e+00 1.024005174e+01 1.98 2.444056485e+01 5.911981406e+00 1.848382750e+01 2.442402691e+01 2.440312711e+01 2.434602337e+00 8.137188185e+00 2.028209793e+01 1.458985623e+00 8.900597493e+00 2.00 2.225218854e+01 4.792114804e+00 1.660256030e+01 2.222380661e+01 2.220277215e+01 1.704439157e+00 6.912650066e+00 1.830042726e+01 7.392265806e-01 7.654072964e+00 2.02 2.019470890e+01 3.746378373e+00 1.485980545e+01 2.016076958e+01 2.014263112e+01 1.044567123e+00 5.778134080e+00 1.643953518e+01 7.931837776e-02 6.494067751e+00 2.04 1.825445188e+01 2.772902191e+00 1.324490767e+01 1.822352316e+01 1.821048627e+01 4.531346362e-01 4.727488156e+00 1.469503828e+01 -5.160417862e-01 5.414626073e+00 2.06 1.642455865e+01 1.870243482e+00 1.174305929e+01 1.640370866e+01 1.639658100e+01 -7.754302747e-02 3.753057434e+00 1.306410763e+01 -1.051983427e+00 4.411553004e+00 2.08 1.470616411e+01 1.034544558e+00 1.033925982e+01 1.469730353e+01 1.469519058e+01 -5.571632470e-01 2.847297467e+00 1.154244515e+01 -1.533688901e+00 3.485351737e+00 2.10 1.310170190e+01 2.610467314e-01 9.021017864e+00 1.310158774e+01 1.310223706e+01 -9.927078953e-01 2.003568656e+00 1.012339038e+01 -1.965610237e+00 2.632823343e+00 2.12 1.160486962e+01 -4.546712895e-01 7.779980513e+00 1.160966683e+01 1.161147150e+01 -1.389919276e+00 1.216538449e+00 8.798741195e+00 -2.350265635e+00 1.846916826e+00 2.14 1.020738699e+01 -1.113351221e+00 6.612569265e+00 1.021557441e+01 1.021940240e+01 -1.754869311e+00 4.823729412e-01 7.561566333e+00 -2.692886978e+00 1.119083492e+00 2.16 8.901383213e+00 -1.702232353e+00 5.516374763e+00 8.912989951e+00 8.920835266e+00 -2.091073067e+00 -2.015737190e-01 6.407254430e+00 -2.998976419e+00 4.409473903e-01 2.18 7.679746434e+00 -2.223588616e+00 4.489028559e+00 7.695204499e+00 7.708513784e+00 -2.399169249e+00 -8.291213452e-01 5.331078727e+00 -3.271847411e+00 -1.920100178e-01 2.20 6.536329638e+00 -2.684541124e+00 3.531249456e+00 6.556343345e+00 6.575561590e+00 -2.676960164e+00 -1.390842816e+00 4.328261152e+00 -3.514237969e+00 -7.706301276e-01 2.22 5.466045442e+00 -3.091419476e+00 2.640980468e+00 5.490718361e+00 5.515241924e+00 -2.923662055e+00 -1.890567605e+00 3.394148612e+00 -3.728452035e+00 -1.296970754e+00 2.24 4.464884789e+00 -3.448684374e+00 1.813592520e+00 4.493269798e+00 4.521653560e+00 -3.140385724e+00 -2.335374554e+00 2.523530364e+00 -3.916011633e+00 -1.774748469e+00 2.26 3.531735759e+00 -3.762178631e+00 1.044222398e+00 3.561556104e+00 3.591376450e+00 -3.328929601e+00 -2.732692051e+00 1.713334058e+00 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