# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Ta-Cu # implementation = 2004--Zhou-X-W--Ta-Cu--LAMMPS--ipr1 # composition = Ta # 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 nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 1.510550821e+03 nan 0.80 nan nan nan nan nan nan nan nan 1.371568850e+03 nan 0.82 nan nan nan nan nan nan nan nan 1.246953138e+03 nan 0.84 nan nan nan nan nan nan nan nan 1.134971669e+03 nan 0.86 nan nan nan nan nan 8.911595507e+02 nan nan 1.034145879e+03 nan 0.88 nan nan nan nan nan 8.136466041e+02 nan nan 9.431993046e+02 nan 0.90 nan nan nan nan nan 7.436241392e+02 nan nan 8.610292407e+02 nan 0.92 nan nan nan nan nan 6.802403293e+02 nan nan 7.866853395e+02 nan 0.94 nan nan nan nan nan 6.227753847e+02 nan nan 7.193439968e+02 nan 0.96 nan nan nan 1.507148056e+03 1.507227151e+03 5.706124659e+02 nan nan 6.582788572e+02 9.691884306e+02 0.98 nan nan nan 1.391338586e+03 1.391426171e+03 5.232165300e+02 nan nan 6.028419439e+02 8.911008552e+02 1.00 nan 8.051331630e+02 nan 1.285430607e+03 1.285505642e+03 4.801145677e+02 8.290873434e+02 nan 5.524556002e+02 8.198688636e+02 1.02 nan 7.403638275e+02 nan 1.188457189e+03 1.188501102e+03 4.408791013e+02 7.630632336e+02 nan 5.066059263e+02 7.548232552e+02 1.04 nan 6.811803096e+02 nan 1.099560210e+03 1.099562980e+03 4.051189190e+02 7.026830396e+02 nan 4.648363296e+02 6.953636463e+02 1.06 nan 6.270338139e+02 nan 1.017974461e+03 1.017938432e+03 3.724776980e+02 6.474107774e+02 nan 4.267392759e+02 6.409507992e+02 1.08 nan 5.774378260e+02 nan 9.430158116e+02 9.429552270e+02 3.426392313e+02 5.967719333e+02 nan 3.919492884e+02 5.911072703e+02 1.10 8.741287986e+02 5.319641930e+02 7.760455277e+02 8.740685029e+02 8.740043320e+02 3.153285077e+02 5.503419674e+02 8.051988333e+02 3.601385424e+02 5.454131308e+02 1.12 8.106065669e+02 4.902340705e+02 7.186630718e+02 8.105779559e+02 8.105305866e+02 2.903069036e+02 5.077399029e+02 7.459540234e+02 3.310141337e+02 5.034958256e+02 1.14 7.520365039e+02 4.519069737e+02 6.657833014e+02 7.520468346e+02 7.520305606e+02 2.673652495e+02 4.686238751e+02 6.913536038e+02 3.043165681e+02 4.650189771e+02 1.16 6.979825720e+02 4.166767490e+02 6.170041465e+02 6.980295400e+02 6.980507359e+02 2.463174454e+02 4.326871711e+02 6.409863396e+02 2.798167988e+02 4.296727819e+02 1.18 6.480512915e+02 3.842709613e+02 5.719697449e+02 6.481276567e+02 6.481856314e+02 2.269965269e+02 3.996524397e+02 5.944867751e+02 2.573121575e+02 3.971707100e+02 1.20 6.018898240e+02 3.544505306e+02 5.303657024e+02 6.019863167e+02 6.020747843e+02 2.092518357e+02 3.692654154e+02 5.515299875e+02 2.366235336e+02 3.672497816e+02 1.22 5.591847292e+02 3.270027443e+02 4.919108979e+02 5.592904363e+02 5.593985340e+02 1.929453898e+02 3.412906892e+02 5.118272355e+02 2.175927120e+02 3.396711876e+02 1.24 5.196571724e+02 3.017330705e+02 4.563507775e+02 5.197594354e+02 5.198727698e+02 1.779496485e+02 3.155109785e+02 4.751176519e+02 2.000798482e+02 3.142194658e+02 1.26 4.830572538e+02 2.784588982e+02 4.234545253e+02 4.831429860e+02 4.832456990e+02 1.641472828e+02 2.917284801e+02 4.411615353e+02 1.839605718e+02 2.907018555e+02 1.28 4.491549488e+02 2.570075773e+02 3.930112856e+02 4.492133236e+02 4.492910848e+02 1.514307114e+02 2.697650522e+02 4.097362904e+02 1.691218083e+02 2.689465724e+02 1.30 4.177365454e+02 2.372186870e+02 3.648301983e+02 4.177616646e+02 4.178045802e+02 1.397031907e+02 2.494614096e+02 3.806354181e+02 1.554592819e+02 2.488026178e+02 1.32 3.886025118e+02 2.189459905e+02 3.387360930e+02 3.885942473e+02 3.885983617e+02 1.288779232e+02 2.306750696e+02 3.536686238e+02 1.428761398e+02 2.301382107e+02 1.34 3.615683575e+02 2.020581263e+02 3.145667853e+02 3.615311805e+02 3.614983805e+02 1.188766847e+02 2.132777062e+02 3.286627457e+02 1.312832641e+02 2.128384113e+02 1.36 3.364653792e+02 1.864373633e+02 2.921703258e+02 3.364063464e+02 3.363432562e+02 1.096283011e+02 1.971535773e+02 3.054600449e+02 1.205993979e+02 1.968016381e+02 1.38 3.131410536e+02 1.719782232e+02 2.714044973e+02 3.130682119e+02 3.129847365e+02 1.010682095e+02 1.821990996e+02 2.839166876e+02 1.107509909e+02 1.819365909e+02 1.40 2.914562250e+02 1.585860024e+02 2.521377743e+02 2.913778745e+02 2.912857647e+02 9.313845803e+01 1.683219555e+02 2.639004708e+02 1.016707687e+02 1.681590396e+02 1.42 2.712831259e+02 1.461758833e+02 2.342495529e+02 2.712075397e+02 2.711189252e+02 8.578777297e+01 1.554401114e+02 2.452897762e+02 9.329619026e+01 1.553906214e+02 1.44 2.525039528e+02 1.346719993e+02 2.176298584e+02 2.524391761e+02 2.523651393e+02 7.897087475e+01 1.434803697e+02 2.279738899e+02 8.556877949e+01 1.435587574e+02 1.46 2.350113013e+02 1.240065174e+02 2.021782502e+02 2.349646861e+02 2.349139702e+02 7.264734718e+01 1.323772249e+02 2.118531037e+02 7.843430338e+01 1.325967303e+02 1.48 2.187073797e+02 1.141182760e+02 1.878010107e+02 2.186847819e+02 2.186628447e+02 6.677969179e+01 1.220709919e+02 1.968378009e+02 7.184286459e+01 1.224428669e+02 1.50 2.035046121e+02 1.049512872e+02 1.744109554e+02 2.035094650e+02 2.035181056e+02 6.133257494e+01 1.125067312e+02 1.828479680e+02 6.574931344e+01 1.130394781e+02 1.52 1.893243817e+02 9.645342873e+01 1.619273462e+02 1.893570889e+02 1.893947328e+02 5.627240915e+01 1.036337182e+02 1.698108897e+02 6.011287591e+01 1.043315235e+02 1.54 1.760952212e+02 8.857551999e+01 1.502768730e+02 1.761531746e+02 1.762156526e+02 5.156760966e+01 9.540480036e+01 1.576597158e+02 5.489649875e+01 9.626556911e+01 1.56 1.637511774e+02 8.127118211e+01 1.393943115e+02 1.638293453e+02 1.639108199e+02 4.718905845e+01 8.777599031e+01 1.463325774e+02 5.006609523e+01 8.878993002e+01 1.58 1.522307049e+02 7.449679469e+01 1.292225443e+02 1.523224788e+02 1.524162116e+02 4.311043153e+01 8.070594149e+01 1.357715995e+02 4.559005276e+01 8.185532585e+01 1.60 1.414767854e+02 6.821168540e+01 1.197120623e+02 1.415747512e+02 1.416735926e+02 3.930836910e+01 7.415557502e+01 1.259231853e+02 4.143911727e+01 7.541634066e+01 1.62 1.314364184e+02 6.237807050e+01 1.108193088e+02 1.315329668e+02 1.316296888e+02 3.576208367e+01 6.808746506e+01 1.167373614e+02 3.758638238e+01 6.943203225e+01 1.64 1.220607412e+02 5.696094833e+01 1.025058312e+02 1.221485805e+02 1.222362235e+02 3.245311877e+01 6.246578140e+01 1.081675094e+02 3.400751448e+01 6.386613925e+01 1.66 1.133041702e+02 5.192808338e+01 9.473678050e+01 1.133768769e+02 1.134492428e+02 2.936494323e+01 5.725620123e+01 1.001699372e+02 3.068068669e+01 5.868638129e+01 1.68 1.051239376e+02 4.724994267e+01 8.748050847e+01 1.051765511e+02 1.052288064e+02 2.648281302e+01 5.242625843e+01 9.270354122e+01 2.758647730e+01 5.386346637e+01 1.70 9.747938055e+01 4.289974891e+01 8.070759817e+01 9.750893906e+01 9.753818054e+01 2.379351610e+01 4.794547055e+01 8.572982315e+01 2.470750105e+01 4.937023686e+01 1.72 9.033183425e+01 3.885357467e+01 7.439048166e+01 9.033769236e+01 9.034329328e+01 2.128516924e+01 4.378549444e+01 7.921290273e+01 2.202810605e+01 4.518123476e+01 1.74 8.364490101e+01 3.509020464e+01 6.850276901e+01 8.362869909e+01 8.361229886e+01 1.894689280e+01 3.992011431e+01 7.311980132e+01 1.953407167e+01 4.127272624e+01 1.76 7.738500493e+01 3.159096278e+01 6.301891272e+01 7.735028248e+01 7.731541186e+01 1.677791851e+01 3.632515221e+01 6.742071335e+01 1.721234074e+01 3.762306520e+01 1.78 7.152181667e+01 2.833926361e+01 5.791369444e+01 7.147336266e+01 7.142480020e+01 1.477509170e+01 3.297838072e+01 6.208893330e+01 1.505092469e+01 3.421288448e+01 1.80 6.602836424e+01 2.532007351e+01 5.316230048e+01 6.597148537e+01 6.591452805e+01 1.292728943e+01 2.985945284e+01 5.710081198e+01 1.304010099e+01 3.102515039e+01 1.82 6.088073680e+01 2.251933686e+01 4.874027892e+01 6.082059823e+01 6.076040336e+01 1.122375882e+01 2.694983334e+01 5.243524430e+01 1.118237251e+01 2.804485502e+01 1.84 5.605781561e+01 1.992361215e+01 4.462396221e+01 5.599896747e+01 5.594007909e+01 9.654268868e+00 2.423286894e+01 4.807309846e+01 9.470165022e+00 2.525871579e+01 1.86 5.154077616e+01 1.751976976e+01 4.079078429e+01 5.148689017e+01 5.143297550e+01 8.209232232e+00 2.169373622e+01 4.399692673e+01 7.893248617e+00 2.265478409e+01 1.88 4.731239752e+01 1.529491986e+01 3.721940551e+01 4.726618666e+01 4.721995534e+01 6.879767853e+00 1.931929023e+01 4.019027444e+01 6.442185117e+00 2.022200826e+01 1.90 4.335675630e+01 1.323640233e+01 3.389002414e+01 4.332001872e+01 4.328326654e+01 5.657777685e+00 1.709795483e+01 3.663746896e+01 5.108255637e+00 1.795006082e+01 1.92 3.965873188e+01 1.133193384e+01 3.078429920e+01 3.963245696e+01 3.960617163e+01 4.535876010e+00 1.501946342e+01 3.332337337e+01 3.883344423e+00 1.582912849e+01 1.94 3.620373484e+01 9.569744128e+00 2.788537864e+01 3.618822130e+01 3.617270031e+01 3.507269573e+00 1.307461472e+01 3.023326099e+01 2.759875349e+00 1.384980037e+01 1.96 3.297748559e+01 7.938687540e+00 2.517780846e+01 3.297244452e+01 3.296739810e+01 2.565588773e+00 1.125504067e+01 2.735280160e+01 1.730772232e+00 1.200302407e+01 1.98 2.996600696e+01 6.437509401e+00 2.264749967e+01 2.997064658e+01 2.997528236e+01 1.704773464e+00 9.557011141e+00 2.466807349e+01 7.894255855e-01 1.028265639e+01 2.00 2.715562707e+01 5.065339320e+00 2.028163546e+01 2.716873306e+01 2.718183626e+01 9.189904900e-01 7.983525926e+00 2.216575970e+01 -7.030120755e-02 8.691129153e+00 2.02 2.453309857e+01 3.812036509e+00 1.806862814e+01 2.455312438e+01 2.457314818e+01 2.026323106e-01 6.526953114e+00 1.983311959e+01 -8.540888082e-01 7.220748193e+00 2.04 2.208567418e+01 2.667926852e+00 1.599803561e+01 2.211085355e+01 2.213603148e+01 -4.495995417e-01 5.179582708e+00 1.765810449e+01 -1.567212906e+00 5.862998518e+00 2.06 1.980131132e+01 1.623829872e+00 1.406052400e+01 1.982978585e+01 1.985825934e+01 -1.042578667e+00 3.934247318e+00 1.562939637e+01 -2.214546604e+00 4.609998746e+00 2.08 1.766859183e+01 6.710401105e-01 1.224763512e+01 1.769853990e+01 1.772848720e+01 -1.580706310e+00 2.784268112e+00 1.373634133e+01 -2.800628053e+00 3.454416389e+00 2.10 1.567681119e+01 -1.986156851e-01 1.055169168e+01 1.570656170e+01 1.573631165e+01 -2.067858723e+00 1.723447106e+00 1.196893278e+01 -3.329702814e+00 2.389473145e+00 2.12 1.381591325e+01 -9.926982009e-01 8.965624477e+00 1.384403219e+01 1.387215071e+01 -2.507420689e+00 7.460454342e-01 1.031774885e+01 -3.805724491e+00 1.408860687e+00 2.14 1.207641310e+01 -1.718100373e+00 7.485314254e+00 1.210176029e+01 1.212710719e+01 -2.902353522e+00 -1.532353861e-01 8.773964092e+00 -4.232367469e+00 5.066763427e-01 2.16 1.044932808e+01 -2.381024860e+00 6.114963916e+00 1.047108694e+01 1.049284559e+01 -3.255268589e+00 -9.792476683e-01 7.330778613e+00 -4.613009211e+00 -3.226495653e-01 2.18 8.926214283e+00 -2.986972920e+00 4.848660529e+00 8.943898371e+00 8.961582304e+00 -3.568500440e+00 -1.736412973e+00 5.992828726e+00 -4.950699755e+00 -1.084361118e+00 2.20 7.499704617e+00 -3.540803158e+00 3.679680573e+00 7.513347601e+00 7.526990468e+00 -3.844216314e+00 -2.428783738e+00 4.754756349e+00 -5.248188506e+00 -1.783443986e+00 2.22 6.173704879e+00 -4.046774639e+00 2.601779707e+00 6.183577057e+00 6.193449121e+00 -4.084491573e+00 -3.060063775e+00 3.608749555e+00 -5.507956814e+00 -2.424557248e+00 2.24 4.944564848e+00 -4.508633724e+00 1.609121178e+00 4.950616809e+00 4.956668681e+00 -4.291412961e+00 -3.633695985e+00 2.547618391e+00 -5.732283813e+00 -3.011979282e+00 2.26 3.804716380e+00 -4.929683516e+00 6.961734737e-01 3.807149285e+00 3.809582120e+00 -4.467195045e+00 -4.152940684e+00 1.564927131e+00 -5.923351489e+00 -3.549548007e+00 2.28 2.747236761e+00 -5.312863349e+00 -1.423781229e-01 2.746463349e+00 2.745689882e+00 -4.614184283e+00 -4.620945612e+00 6.549582736e-01 -6.083331612e+00 -4.040614378e+00 2.30 1.765987124e+00 -5.660798635e+00 -9.116986369e-01 1.762576134e+00 1.759165099e+00 -4.734621353e+00 -5.040819764e+00 -1.872602644e-01 -6.214453677e+00 -4.488012981e+00 2.32 8.555928138e-01 -5.975863965e+00 -1.616841167e+00 8.501920807e-01 8.447913132e-01 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