# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2002--Albe-K-Nordlund-K-Averback-R-S--Pt-C # implementation = Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_002 # 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 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 7.897127326e+03 nan nan nan nan 0.62 nan nan nan nan nan 7.001803182e+03 nan nan 8.165443080e+03 nan 0.64 nan nan nan nan nan 6.223645703e+03 nan nan 7.256029706e+03 nan 0.66 nan nan nan nan nan 5.545117906e+03 nan nan 6.461574014e+03 nan 0.68 nan 8.185247263e+03 nan nan nan 4.950405904e+03 nan nan 5.765156162e+03 8.249306007e+03 0.70 nan 7.339646210e+03 nan nan nan 4.426647907e+03 7.504582637e+03 nan 5.153260849e+03 7.403190060e+03 0.72 nan 6.592627932e+03 nan nan nan 3.965236828e+03 6.745723776e+03 nan 4.614520096e+03 6.655193592e+03 0.74 nan 5.930971097e+03 8.255571799e+03 nan nan 3.558335471e+03 6.072632950e+03 nan 4.138843589e+03 5.992257363e+03 0.76 8.308218005e+03 5.343126099e+03 7.468480599e+03 8.308476296e+03 8.308794213e+03 3.198989663e+03 5.474280347e+03 7.719048759e+03 3.717251969e+03 5.404080566e+03 0.78 7.536366253e+03 4.819723551e+03 6.766434494e+03 7.536214867e+03 7.536230955e+03 2.880561122e+03 4.941965089e+03 6.996164979e+03 3.342815487e+03 4.881321764e+03 0.80 6.845848899e+03 4.353315055e+03 6.138393371e+03 6.845190411e+03 6.844922499e+03 2.597335662e+03 4.467616722e+03 6.349301974e+03 3.009644055e+03 4.414512973e+03 0.82 6.226274907e+03 3.936084311e+03 5.575138884e+03 6.225457057e+03 6.225123351e+03 2.344536850e+03 4.043844222e+03 5.768817715e+03 2.712808204e+03 3.996482312e+03 0.84 5.668515018e+03 3.562425600e+03 5.069349940e+03 5.668396962e+03 5.668263790e+03 2.118655084e+03 3.664148199e+03 5.246933979e+03 2.447778018e+03 3.621635713e+03 0.86 5.166038332e+03 3.227390353e+03 4.614086499e+03 5.166677493e+03 5.166828625e+03 1.916688981e+03 3.322979188e+03 4.777405760e+03 2.210696201e+03 3.285504746e+03 0.88 4.712954066e+03 2.926306117e+03 4.203006703e+03 4.713853092e+03 4.714176781e+03 1.735626202e+03 3.016055930e+03 4.354325672e+03 1.998232206e+03 2.983897540e+03 0.90 4.303913019e+03 2.655312033e+03 3.831804862e+03 4.304645948e+03 4.305039608e+03 1.573185690e+03 2.740001403e+03 3.972564033e+03 1.807749473e+03 2.712388333e+03 0.92 3.934317283e+03 2.411271794e+03 3.496562390e+03 3.934529054e+03 3.934918814e+03 1.427204487e+03 2.491423602e+03 3.627649563e+03 1.636691919e+03 2.467522910e+03 0.94 3.599317970e+03 2.191298958e+03 3.193691841e+03 3.599160193e+03 3.599500807e+03 1.295938398e+03 2.267159299e+03 3.315205736e+03 1.482855432e+03 2.246182425e+03 0.96 3.295265349e+03 1.992717413e+03 2.919805055e+03 3.294856929e+03 3.294959759e+03 1.177878261e+03 2.064364035e+03 3.031785248e+03 1.344407942e+03 2.046000099e+03 0.98 3.018917311e+03 1.813014548e+03 2.671322251e+03 3.018443568e+03 3.018273337e+03 1.071459549e+03 1.880630500e+03 2.774373678e+03 1.219745916e+03 1.864845045e+03 1.00 2.767203968e+03 1.650187173e+03 2.444989687e+03 2.766955529e+03 2.766631392e+03 9.751430123e+02 1.714001253e+03 2.540224887e+03 1.107284532e+03 1.700559476e+03 1.02 2.537912857e+03 1.502608290e+03 2.238864967e+03 2.537963766e+03 2.537620728e+03 8.879746645e+02 1.562814683e+03 2.327218007e+03 1.005722812e+03 1.551592052e+03 1.04 2.329034067e+03 1.368820275e+03 2.051013970e+03 2.329222176e+03 2.328974119e+03 8.089320144e+02 1.425521234e+03 2.133386017e+03 9.138741870e+02 1.416502354e+03 1.06 2.138592489e+03 1.247404211e+03 1.879608880e+03 2.138796853e+03 2.138727279e+03 7.370664667e+02 1.300849257e+03 1.956777852e+03 8.307398858e+02 1.293835555e+03 1.08 1.964800462e+03 1.137084774e+03 1.723313556e+03 1.964937881e+03 1.965027605e+03 6.718634924e+02 1.187663786e+03 1.795500169e+03 7.554392397e+02 1.182385796e+03 1.10 1.806068629e+03 1.036540410e+03 1.580818767e+03 1.806012524e+03 1.806185723e+03 6.127905441e+02 1.084819601e+03 1.647921520e+03 6.871041919e+02 1.081106343e+03 1.12 1.660365807e+03 9.449108894e+02 1.450765268e+03 1.660307849e+03 1.660576324e+03 5.592524587e+02 9.913356491e+02 1.512635089e+03 6.249706295e+02 9.889222329e+02 1.14 1.526473829e+03 8.615366558e+02 1.331796243e+03 1.526607316e+03 1.526955428e+03 5.106860241e+02 9.062534625e+02 1.388745542e+03 5.684760649e+02 9.048941397e+02 1.16 1.403661781e+03 7.857586376e+02 1.222731881e+03 1.403977721e+03 1.404320981e+03 4.665796191e+02 8.286501215e+02 1.275442954e+03 5.171255036e+02 8.282536243e+02 1.18 1.291159045e+03 7.168900980e+02 1.122550165e+03 1.291519438e+03 1.291802298e+03 4.263396702e+02 7.577250481e+02 1.171824372e+03 4.705031609e+02 7.582839702e+02 1.20 1.188117680e+03 6.542404404e+02 1.030566994e+03 1.188426684e+03 1.188628818e+03 3.895446040e+02 6.929076388e+02 1.077015799e+03 4.281857834e+02 6.942171904e+02 1.22 1.093696581e+03 5.971864545e+02 9.462726505e+02 1.093913877e+03 1.094033075e+03 3.559335495e+02 6.336928102e+02 9.902129587e+02 3.897117400e+02 6.353927577e+02 1.24 1.007156834e+03 5.451258254e+02 8.691262598e+02 1.007212257e+03 1.007215268e+03 3.252581970e+02 5.795936906e+02 9.106341627e+02 3.546876599e+02 5.814755173e+02 1.26 9.277407219e+02 4.974999779e+02 7.985558469e+02 9.276005873e+02 9.274661656e+02 2.972725348e+02 5.301651385e+02 8.375027936e+02 3.227598898e+02 5.321387390e+02 1.28 8.546790315e+02 4.538792715e+02 7.339362289e+02 8.544060949e+02 8.541627179e+02 2.716987819e+02 4.849525625e+02 7.702622485e+02 2.936479409e+02 4.870490540e+02 1.30 7.874365005e+02 4.138726821e+02 6.746606695e+02 7.870876848e+02 7.867647726e+02 2.483182882e+02 4.435386802e+02 7.084363347e+02 2.671250879e+02 4.458639873e+02 1.32 7.253687018e+02 3.771989721e+02 6.202219900e+02 7.250297365e+02 7.246992423e+02 2.269423663e+02 4.055974157e+02 6.514816077e+02 2.429732845e+02 4.080896641e+02 1.34 6.680433524e+02 3.436291878e+02 5.701480899e+02 6.677783607e+02 6.675135917e+02 2.073737218e+02 3.707835176e+02 5.990115500e+02 2.209570966e+02 3.734119038e+02 1.36 6.151622290e+02 3.129588548e+02 5.240778803e+02 6.150043244e+02 6.148464231e+02 1.894598649e+02 3.387925704e+02 5.507121160e+02 2.008965543e+02 3.416177089e+02 1.38 5.664206374e+02 2.849758485e+02 4.816902136e+02 5.663818721e+02 5.663434703e+02 1.730625162e+02 3.094290687e+02 5.062903449e+02 1.826156229e+02 3.124652919e+02 1.40 5.215381913e+02 2.594636019e+02 4.426855920e+02 5.216045409e+02 5.216715951e+02 1.580507667e+02 2.824836533e+02 4.654554353e+02 1.659504992e+02 2.857777724e+02 1.42 4.802342358e+02 2.362028551e+02 4.067858529e+02 4.803684124e+02 4.805035609e+02 1.443020111e+02 2.577431500e+02 4.278920847e+02 1.507599949e+02 2.613741260e+02 1.44 4.422294853e+02 2.149764248e+02 3.737312642e+02 4.423953766e+02 4.425624020e+02 1.317006576e+02 2.350842911e+02 3.932835265e+02 1.369035934e+02 2.390678694e+02 1.46 4.072370808e+02 1.955730665e+02 3.432667588e+02 4.074083496e+02 4.075807879e+02 1.201357594e+02 2.143614911e+02 3.614038656e+02 1.242620046e+02 2.186663807e+02 1.48 3.749289486e+02 1.777829676e+02 3.151396010e+02 3.751044213e+02 3.752809288e+02 1.095191223e+02 1.954334905e+02 3.320175315e+02 1.127254013e+02 1.999580820e+02 1.50 3.450541904e+02 1.614681274e+02 2.891808065e+02 3.452430955e+02 3.454328236e+02 9.977186372e+01 1.781597274e+02 3.049124390e+02 1.021915631e+02 1.827550904e+02 1.52 3.174358967e+02 1.465169085e+02 2.652340202e+02 3.176416655e+02 3.178480243e+02 9.081872233e+01 1.623772365e+02 2.799245437e+02 9.255098130e+01 1.669302787e+02 1.54 2.919280692e+02 1.328289872e+02 2.430372567e+02 2.921157232e+02 2.923037081e+02 8.254502081e+01 1.479218574e+02 2.569038903e+02 8.372305408e+01 1.523854133e+02 1.56 2.683879567e+02 1.202978289e+02 2.224784309e+02 2.685234181e+02 2.686589413e+02 7.490242120e+01 1.346787496e+02 2.357047326e+02 7.564169425e+01 1.390262941e+02 1.58 2.466759107e+02 1.087812065e+02 2.034994355e+02 2.467408798e+02 2.468056565e+02 6.786651939e+01 1.225451241e+02 2.161864556e+02 6.824956949e+01 1.267625370e+02 1.60 2.266560844e+02 9.821520951e+01 1.860305170e+02 2.266457260e+02 2.266349565e+02 6.140913229e+01 1.114124876e+02 1.982148065e+02 6.149463436e+01 1.155077657e+02 1.62 2.081975948e+02 8.854028553e+01 1.699900956e+02 2.081174950e+02 2.080368152e+02 5.549793385e+01 1.011964314e+02 1.816462380e+02 5.532618842e+01 1.051800229e+02 1.64 1.911758211e+02 7.967878290e+01 1.552866219e+02 1.910386821e+02 1.909008530e+02 5.009698632e+01 9.182625156e+01 1.663268150e+02 4.968691581e+01 9.570224067e+01 1.66 1.754704378e+02 7.158237487e+01 1.418196713e+02 1.752936858e+02 1.751161899e+02 4.516785631e+01 8.323505527e+01 1.521692340e+02 4.453506032e+01 8.700127770e+01 1.68 1.609516625e+02 6.419722869e+01 1.294784321e+02 1.607583222e+02 1.605642143e+02 4.067101904e+01 7.535987617e+01 1.390341629e+02 3.983421007e+01 7.900293035e+01 1.70 1.474312150e+02 5.746919354e+01 1.181667158e+02 1.472534979e+02 1.470750478e+02 3.656729759e+01 6.814182150e+01 1.268482210e+02 3.554910149e+01 7.162365074e+01 1.72 1.348417325e+02 5.135067835e+01 1.077930310e+02 1.347052046e+02 1.345680386e+02 3.281914583e+01 6.152557081e+01 1.155811751e+02 3.164516826e+01 6.481769646e+01 1.74 1.231598794e+02 4.579507731e+01 9.825682201e+01 1.230748005e+02 1.229892157e+02 2.938739179e+01 5.545693489e+01 1.051965712e+02 2.808938988e+01 5.855348704e+01 1.76 1.123567156e+02 4.075486088e+01 8.946311358e+01 1.123194944e+02 1.122819075e+02 2.623670502e+01 4.989139093e+01 9.565141166e+01 2.485250719e+01 5.279937896e+01 1.78 1.023966346e+02 3.617829516e+01 8.135421002e+01 1.024000597e+02 1.024032562e+02 2.334420999e+01 4.478632574e+01 8.689685984e+01 2.190652465e+01 4.752331470e+01 1.80 9.323746322e+01 3.201490365e+01 7.384143417e+01 9.326916721e+01 9.330076199e+01 2.066732931e+01 4.009468992e+01 7.887964386e+01 1.921739404e+01 4.269284172e+01 1.82 8.483142915e+01 2.822912864e+01 6.687850215e+01 8.487845386e+01 8.492546354e+01 1.819179289e+01 3.578786188e+01 7.154384265e+01 1.676082466e+01 3.827539709e+01 1.84 7.712669115e+01 2.478688868e+01 6.044251716e+01 7.717821474e+01 7.722978990e+01 1.591620116e+01 3.184059671e+01 6.483148294e+01 1.452329213e+01 3.423875334e+01 1.86 7.006914671e+01 2.165345657e+01 5.450945686e+01 7.011684440e+01 7.016463250e+01 1.383600202e+01 2.822856864e+01 5.868021170e+01 1.248971353e+01 3.055153105e+01 1.88 6.360427466e+01 1.880228640e+01 4.905370385e+01 6.364239403e+01 6.368061623e+01 1.194344308e+01 2.492820524e+01 5.303994124e+01 1.064623374e+01 2.718369938e+01 1.90 5.767882456e+01 1.620974794e+01 4.404799465e+01 5.770403307e+01 5.772933308e+01 1.022791930e+01 2.191664872e+01 4.786012551e+01 8.979184888e+00 2.410700605e+01 1.92 5.223422792e+01 1.385359399e+01 3.946368775e+01 5.224630727e+01 5.225845233e+01 8.676609086e+00 1.917180760e+01 4.308930012e+01 7.474491686e+00 2.129369334e+01 1.94 4.721004543e+01 1.171313997e+01 3.527124761e+01 4.721219316e+01 4.721438354e+01 7.275279693e+00 1.667246399e+01 3.869599409e+01 6.118001667e+00 1.871762274e+01 1.96 4.257478236e+01 9.770750704e+00 3.144084697e+01 4.257005728e+01 4.256535631e+01 6.009143465e+00 1.439840585e+01 3.464753897e+01 4.893077884e+00 1.636011902e+01 1.98 3.830027617e+01 8.010231473e+00 2.794300229e+01 3.829131063e+01 3.828235578e+01 4.863658992e+00 1.233055941e+01 3.091898623e+01 3.787055048e+00 1.420416615e+01 2.00 3.436036120e+01 6.416655781e+00 2.474917358e+01 3.434928306e+01 3.433820764e+01 3.825195348e+00 1.044402772e+01 2.748877675e+01 2.792465053e+00 1.223404847e+01 2.02 3.073072732e+01 4.976267562e+00 2.183227870e+01 3.071913593e+01 3.070754454e+01 2.881508904e+00 8.717335249e+00 2.433656097e+01 1.901011335e+00 1.043525057e+01 2.04 2.738878874e+01 3.676390923e+00 1.916267322e+01 2.737735635e+01 2.736592396e+01 2.022611711e+00 7.142252848e+00 2.144306494e+01 1.104363017e+00 8.794365060e+00 2.06 2.431151696e+01 2.505346800e+00 1.671520952e+01 2.430022596e+01 2.428893496e+01 1.241759734e+00 5.711970520e+00 1.878873089e+01 3.954310808e-01 7.296642991e+00 2.08 2.146821961e+01 1.452376011e+00 1.447322197e+01 2.145691059e+01 2.144560156e+01 5.330871878e-01 4.419211329e+00 1.634932855e+01 -2.335718308e-01 5.919093422e+00 2.10 1.884478596e+01 5.075682215e-01 1.242125797e+01 1.883329988e+01 1.882181381e+01 -1.088587985e-01 3.255693168e+00 1.411107472e+01 -7.907314524e-01 4.658899882e+00 2.12 1.643020731e+01 -3.382036486e-01 1.054498233e+01 1.641841777e+01 1.640662824e+01 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