# 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--ipr2 # 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 1.510629787e+03 nan 0.80 nan nan nan nan nan nan nan nan 1.371641549e+03 nan 0.82 nan nan nan nan nan nan nan nan 1.247019767e+03 nan 0.84 nan nan nan nan nan nan nan nan 1.135032960e+03 nan 0.86 nan nan nan nan nan 8.912077032e+02 nan nan 1.034202350e+03 nan 0.88 nan nan nan nan nan 8.136909997e+02 nan nan 9.432515084e+02 nan 0.90 nan nan nan nan nan 7.436648965e+02 nan nan 8.610773709e+02 nan 0.92 nan nan nan nan nan 6.802780878e+02 nan nan 7.867299696e+02 nan 0.94 nan nan nan nan nan 6.228101726e+02 nan nan 7.193853310e+02 nan 0.96 nan nan nan 1.507228133e+03 1.507307236e+03 5.706447168e+02 nan nan 6.583170601e+02 9.692422635e+02 0.98 nan nan nan 1.391413209e+03 1.391500777e+03 5.232463525e+02 nan nan 6.028774117e+02 8.911509840e+02 1.00 nan 8.051797115e+02 nan 1.285500180e+03 1.285575198e+03 4.801421483e+02 8.291346693e+02 nan 5.524884279e+02 8.199155375e+02 1.02 nan 7.404073095e+02 nan 1.188522516e+03 1.188566410e+03 4.409047691e+02 7.631074716e+02 nan 5.066363589e+02 7.548668016e+02 1.04 nan 6.812207046e+02 nan 1.099621167e+03 1.099623920e+03 4.051426387e+02 7.027241954e+02 nan 4.648645614e+02 6.954041853e+02 1.06 nan 6.270714710e+02 nan 1.018031518e+03 1.017995483e+03 3.724996741e+02 6.474492381e+02 nan 4.267654604e+02 6.409886035e+02 1.08 nan 5.774729185e+02 nan 9.430691301e+02 9.430085544e+02 3.426595707e+02 5.968076927e+02 nan 3.919736032e+02 5.911424839e+02 1.10 8.741785813e+02 5.319969384e+02 7.760905521e+02 8.741183294e+02 8.740541780e+02 3.153472830e+02 5.503753299e+02 8.052455397e+02 3.601610674e+02 5.454459113e+02 1.12 8.106534850e+02 4.902646139e+02 7.187053985e+02 8.106249145e+02 8.105775716e+02 2.903243833e+02 5.077711494e+02 7.459977778e+02 3.310350787e+02 5.035265716e+02 1.14 7.520806981e+02 4.519355853e+02 6.658230860e+02 7.520910524e+02 7.520748012e+02 2.673814872e+02 4.686531084e+02 6.913945221e+02 3.043360753e+02 4.650477650e+02 1.16 6.980239263e+02 4.167034164e+02 6.170412649e+02 6.980708933e+02 6.980921008e+02 2.463323893e+02 4.327144430e+02 6.410248196e+02 2.798348398e+02 4.296996147e+02 1.18 6.480899776e+02 3.842959129e+02 5.720045232e+02 6.481663272e+02 6.482243088e+02 2.270103470e+02 3.996779230e+02 5.945227682e+02 2.573288849e+02 3.971956942e+02 1.20 6.019262405e+02 3.544738199e+02 5.303984261e+02 6.020227123e+02 6.021111807e+02 2.092646388e+02 3.692892585e+02 5.515638861e+02 2.366390840e+02 3.672731401e+02 1.22 5.592190067e+02 3.270245336e+02 4.919416672e+02 5.593246838e+02 5.594327656e+02 1.929572322e+02 3.413129801e+02 5.118591709e+02 2.176071465e+02 3.396930412e+02 1.24 5.196895494e+02 3.017534888e+02 4.563798146e+02 5.197917867e+02 5.199050985e+02 1.779606485e+02 3.155318434e+02 4.751476518e+02 2.000932813e+02 3.142399411e+02 1.26 4.830875248e+02 2.784779317e+02 4.234816380e+02 4.831732353e+02 4.832759188e+02 1.641573511e+02 2.917479304e+02 4.411896892e+02 1.839730069e+02 2.907208859e+02 1.28 4.491834834e+02 2.570253573e+02 3.930369055e+02 4.492418500e+02 4.493195876e+02 1.514400152e+02 2.697831871e+02 4.097627684e+02 1.691333695e+02 2.689643703e+02 1.30 4.177635269e+02 2.372353025e+02 3.648543062e+02 4.177886425e+02 4.178315371e+02 1.397117836e+02 2.494783876e+02 3.806602629e+02 1.554700178e+02 2.488193065e+02 1.32 3.886278900e+02 2.189615282e+02 3.387587185e+02 3.886196255e+02 3.886237252e+02 1.288857955e+02 2.306909115e+02 3.536920236e+02 1.428860836e+02 2.301537829e+02 1.34 3.615920776e+02 2.020725987e+02 3.145879622e+02 3.615549050e+02 3.615221021e+02 1.188838393e+02 2.132924314e+02 3.286847256e+02 1.312924053e+02 2.128528681e+02 1.36 3.364877892e+02 1.864508509e+02 2.921902155e+02 3.364287610e+02 3.363656759e+02 1.096348509e+02 1.971673494e+02 3.054807655e+02 1.206078469e+02 1.968152034e+02 1.38 3.131622171e+02 1.719907907e+02 2.714232772e+02 3.130893867e+02 3.130059289e+02 1.010742125e+02 1.822119939e+02 2.839361674e+02 1.107588098e+02 1.819493159e+02 1.40 2.914761243e+02 1.585977262e+02 2.521553908e+02 2.913977867e+02 2.913056995e+02 9.314391855e+01 1.683339924e+02 2.639186916e+02 1.016779431e+02 1.681709226e+02 1.42 2.713017752e+02 1.461867947e+02 2.342660354e+02 2.712262058e+02 2.711376176e+02 8.579270936e+01 1.554513094e+02 2.453068899e+02 9.330274907e+01 1.554017132e+02 1.44 2.525215914e+02 1.346821430e+02 2.176454198e+02 2.524568358e+02 2.523828278e+02 7.897538909e+01 1.434908738e+02 2.279900238e+02 8.557480636e+01 1.435691491e+02 1.46 2.350278390e+02 1.240159378e+02 2.021927930e+02 2.349812472e+02 2.349305582e+02 7.265140538e+01 1.323870286e+02 2.118682020e+02 7.843978457e+01 1.326064170e+02 1.48 2.187229026e+02 1.141270333e+02 1.878146326e+02 2.187003255e+02 2.186784091e+02 6.678333042e+01 1.220800875e+02 1.968520076e+02 7.184783921e+01 1.224518718e+02 1.50 2.035191998e+02 1.049594390e+02 1.744237101e+02 2.035240684e+02 2.035327226e+02 6.133582460e+01 1.125152027e+02 1.828612864e+02 6.575381007e+01 1.130478499e+02 1.52 1.893381018e+02 9.646098691e+01 1.619393010e+02 1.893708183e+02 1.894084682e+02 5.627529967e+01 1.036416089e+02 1.698233849e+02 6.011692662e+01 1.043392809e+02 1.54 1.761081312e+02 8.858252483e+01 1.502880585e+02 1.761660849e+02 1.762285604e+02 5.157015730e+01 9.541213326e+01 1.576714958e+02 5.490012860e+01 9.627276222e+01 1.56 1.637632921e+02 8.127765404e+01 1.394047609e+02 1.638414519e+02 1.639229161e+02 4.719126999e+01 8.778277644e+01 1.463435931e+02 5.006933002e+01 8.879655485e+01 1.58 1.522421346e+02 7.450277898e+01 1.292323549e+02 1.523338912e+02 1.524276056e+02 4.311234777e+01 8.071223278e+01 1.357819446e+02 4.559292322e+01 8.186144603e+01 1.60 1.414875004e+02 6.821720215e+01 1.197212085e+02 1.415854433e+02 1.416842612e+02 3.930998757e+01 7.416136923e+01 1.259328640e+02 4.144162417e+01 7.542194987e+01 1.62 1.314464792e+02 6.238312615e+01 1.108278790e+02 1.315430005e+02 1.316396955e+02 3.576343078e+01 6.809279564e+01 1.167464095e+02 3.758855581e+01 6.943715742e+01 1.64 1.220701514e+02 5.696557090e+01 1.025138158e+02 1.221579632e+02 1.222455787e+02 3.245420215e+01 6.247065415e+01 1.081759674e+02 3.400937095e+01 6.387080888e+01 1.66 1.133130054e+02 5.193228883e+01 9.474427506e+01 1.133856863e+02 1.134580265e+02 2.936579180e+01 5.726066020e+01 1.001778329e+02 3.068225640e+01 5.869062669e+01 1.68 1.051322169e+02 4.725374852e+01 8.748750634e+01 1.051848080e+02 1.052370413e+02 2.648343234e+01 5.243031267e+01 9.271092280e+01 2.758776633e+01 5.386731398e+01 1.70 9.748710817e+01 4.290318566e+01 8.071412279e+01 9.751665024e+01 9.754587551e+01 2.379391486e+01 4.794912674e+01 8.573669686e+01 2.470852539e+01 4.937369763e+01 1.72 9.033901628e+01 3.885665043e+01 7.439653638e+01 9.034486472e+01 9.035045616e+01 2.128535366e+01 4.378876354e+01 7.921928369e+01 2.202888438e+01 4.518431598e+01 1.74 8.365157968e+01 3.509294803e+01 6.850840501e+01 8.363537568e+01 8.361897351e+01 1.894689105e+01 3.992301848e+01 7.312572469e+01 1.953461140e+01 4.127546521e+01 1.76 7.739123405e+01 3.159339723e+01 6.302413574e+01 7.735651579e+01 7.732164946e+01 1.677792239e+01 3.632772159e+01 6.742618870e+01 1.721266589e+01 3.762548802e+01 1.78 7.152762527e+01 2.834140363e+01 5.791854678e+01 7.147918140e+01 7.143062914e+01 1.477510233e+01 3.298063365e+01 6.209401341e+01 1.505105484e+01 3.421501769e+01 1.80 6.603373820e+01 2.532192139e+01 5.316676994e+01 6.597687381e+01 6.591993104e+01 1.292729344e+01 2.986138889e+01 5.710550692e+01 1.304010655e+01 3.102699372e+01 1.82 6.088571193e+01 2.252091703e+01 4.874439045e+01 6.082559132e+01 6.076541446e+01 1.122376374e+01 2.695147993e+01 5.243954580e+01 1.118237827e+01 2.804643276e+01 1.84 5.606243065e+01 1.992494090e+01 4.462773795e+01 5.600360269e+01 5.594473452e+01 9.654279149e+00 2.423425038e+01 4.807706515e+01 9.470176011e+00 2.526005354e+01 1.86 5.154501319e+01 1.752086328e+01 4.079420645e+01 5.149114825e+01 5.143725465e+01 8.209237218e+00 2.169485656e+01 4.400054425e+01 7.893254240e+00 2.265587638e+01 1.88 4.731628960e+01 1.529577746e+01 3.722250602e+01 4.727009953e+01 4.722388902e+01 6.879771563e+00 1.932016969e+01 4.019356008e+01 6.442189832e+00 2.022287591e+01 1.90 4.336031886e+01 1.323703383e+01 3.389280538e+01 4.332360089e+01 4.328686833e+01 5.657782330e+00 1.709860696e+01 3.664044467e+01 5.108260846e+00 1.795071820e+01 1.92 3.966198176e+01 1.133235182e+01 3.078677391e+01 3.963572428e+01 3.960945637e+01 4.535882021e+00 1.501990290e+01 3.332605692e+01 3.883350666e+00 1.582958298e+01 1.94 3.620667777e+01 9.569955488e+00 2.788755473e+01 3.619117834e+01 3.617567148e+01 3.507272473e+00 1.307485658e+01 3.023566587e+01 2.759881548e+00 1.385006003e+01 1.96 3.298014327e+01 7.938703774e+00 2.517970452e+01 3.297511212e+01 3.297007563e+01 2.565591633e+00 1.125509685e+01 2.735493178e+01 1.730774589e+00 1.200310328e+01 1.98 2.996839132e+01 6.437517957e+00 2.264912512e+01 2.997303635e+01 2.997767755e+01 1.704777489e+00 9.557017772e+00 2.466996071e+01 7.894280962e-01 1.028266202e+01 2.00 2.715775020e+01 5.065341280e+00 2.028300162e+01 2.717085679e+01 2.718396059e+01 9.189934534e-01 7.983532571e+00 2.216739663e+01 -7.029571453e-02 8.691137649e+00 2.02 2.453496424e+01 3.812037845e+00 1.806974587e+01 2.455498630e+01 2.457500635e+01 2.026354698e-01 6.526958306e+00 1.983451239e+01 -8.540856784e-01 7.220754074e+00 2.04 2.208731313e+01 2.667932681e+00 1.599893043e+01 2.211248489e+01 2.213765521e+01 -4.495918865e-01 5.179589536e+00 1.765926989e+01 -1.567207144e+00 5.863011462e+00 2.06 1.980271129e+01 1.623835664e+00 1.406119168e+01 1.983117513e+01 1.985963791e+01 -1.042573137e+00 3.934253748e+00 1.563033620e+01 -2.214540341e+00 4.610008464e+00 2.08 1.766976245e+01 6.710433458e-01 1.224809246e+01 1.769969775e+01 1.772963229e+01 -1.580702272e+00 2.784275661e+00 1.373706138e+01 -2.800625145e+00 3.454425079e+00 2.10 1.567776035e+01 -1.986124596e-01 1.055195615e+01 1.570749707e+01 1.573723322e+01 -2.067855803e+00 1.723454193e+00 1.196943567e+01 -3.329700037e+00 2.389479083e+00 2.12 1.381664498e+01 -9.926942041e-01 8.965700612e+00 1.384475012e+01 1.387285485e+01 -2.507419825e+00 7.460481971e-01 1.031804904e+01 -3.805722505e+00 1.408863670e+00 2.14 1.207693520e+01 -1.718097651e+00 7.485316824e+00 1.210226949e+01 1.212760349e+01 -2.902352924e+00 -1.532334135e-01 8.774071193e+00 -4.232366678e+00 5.066771132e-01 2.16 1.044966572e+01 -2.381020812e+00 6.114971813e+00 1.047141322e+01 1.049316051e+01 -3.255264814e+00 -9.792423960e-01 7.330787985e+00 -4.613005794e+00 -3.226418591e-01 2.18 8.926355660e+00 -2.986970014e+00 4.848667743e+00 8.944030459e+00 8.961705104e+00 -3.568498350e+00 -1.736409903e+00 5.992838245e+00 -4.950697037e+00 -1.084356564e+00 2.20 7.499710242e+00 -3.540798990e+00 3.679683241e+00 7.513353073e+00 7.526995787e+00 -3.844215503e+00 -2.428779774e+00 4.754765622e+00 -5.248187796e+00 -1.783441877e+00 2.22 6.173706803e+00 -4.046770717e+00 2.601781317e+00 6.183578762e+00 6.193450609e+00 -4.084490452e+00 -3.060060528e+00 3.608752220e+00 -5.507956011e+00 -2.424555250e+00 2.24 4.944566796e+00 -4.508630875e+00 1.609122807e+00 4.950619160e+00 4.956671434e+00 -4.291412606e+00 -3.633694608e+00 2.547624681e+00 -5.732283888e+00 -3.011978107e+00 2.26 3.804715458e+00 -4.929683457e+00 6.961753859e-01 3.807148347e+00 3.809581165e+00 -4.467194806e+00 -4.152938757e+00 1.564930141e+00 -5.923351527e+00 -3.549548345e+00 2.28 2.747242906e+00 -5.312862289e+00 -1.423738069e-01 2.746469950e+00 2.745696938e+00 -4.614183741e+00 -4.620943442e+00 6.549651125e-01 -6.083330062e+00 -4.040610815e+00 2.30 1.765995895e+00 -5.660795696e+00 -9.116902174e-01 1.762584685e+00 1.759173430e+00 -4.734619485e+00 -5.040816924e+00 -1.872530697e-01 -6.214452219e+00 -4.488008710e+00 2.32 8.555989811e-01 -5.975862697e+00 -1.616834401e+00 8.501985270e-01 8.447980385e-01 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