# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Chen-Y-Fang-J-Liu-L-et-al--W-Re # implementation = 2019--Chen-Y--W-Re--LAMMPS--ipr1 # composition = Re # 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 2022-12-14 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 7.245970521e+03 nan 0.72 nan nan nan nan nan nan nan nan 6.362570260e+03 nan 0.74 nan nan nan nan nan nan nan nan 5.602325671e+03 nan 0.76 nan nan nan nan nan 4.383324008e+03 nan nan 4.946788176e+03 nan 0.78 nan nan nan nan nan 3.887747293e+03 nan nan 4.379359122e+03 nan 0.80 nan nan nan nan nan 3.457096840e+03 nan nan 3.886548327e+03 nan 0.82 nan nan nan nan nan 3.081768342e+03 nan nan 3.451757226e+03 nan 0.84 nan nan nan nan nan 2.753312450e+03 nan nan 3.063567937e+03 nan 0.86 nan 4.083350821e+03 nan 6.901471669e+03 6.902237544e+03 2.465265000e+03 nan nan 2.724434206e+03 4.188395199e+03 0.88 nan 3.652112882e+03 nan 6.220251208e+03 6.221240046e+03 2.212348464e+03 3.773058322e+03 nan 2.427470165e+03 3.753122996e+03 0.90 nan 3.264438028e+03 nan 5.616907194e+03 5.617783889e+03 1.989582722e+03 3.382793743e+03 nan 2.166709480e+03 3.370142277e+03 0.92 nan 2.903702940e+03 nan 5.081422745e+03 5.081973846e+03 1.792792070e+03 3.038848585e+03 nan 1.937471456e+03 3.032386317e+03 0.94 nan 2.586052095e+03 nan 4.604578458e+03 4.604871998e+03 1.618532372e+03 2.735149536e+03 nan 1.735353515e+03 2.732972447e+03 0.96 nan 2.306087844e+03 3.620430415e+03 4.179272398e+03 4.179345163e+03 1.463767414e+03 2.458599610e+03 3.818174583e+03 1.556857239e+03 2.467039622e+03 0.98 3.799396840e+03 2.059016783e+03 3.274333788e+03 3.799351048e+03 3.799238081e+03 1.325926033e+03 2.212300026e+03 3.453197157e+03 1.399045946e+03 2.230380070e+03 1.00 3.459561115e+03 1.840625489e+03 2.965933437e+03 3.459323882e+03 3.459059693e+03 1.202920963e+03 1.993205546e+03 3.111401500e+03 1.259279003e+03 2.019359737e+03 1.02 3.107162826e+03 1.641475479e+03 2.659060322e+03 3.106678887e+03 3.106218009e+03 1.076968263e+03 1.782050995e+03 2.790637773e+03 1.123236371e+03 1.807139321e+03 1.04 2.792588862e+03 1.465064661e+03 2.386161078e+03 2.792057627e+03 2.791551496e+03 9.649593769e+02 1.594466411e+03 2.504818545e+03 1.002852254e+03 1.618451449e+03 1.06 2.511684868e+03 1.308716345e+03 2.143918563e+03 2.511420126e+03 2.511155268e+03 8.656105391e+02 1.427755942e+03 2.250040422e+03 8.962772326e+02 1.450660797e+03 1.08 2.260720496e+03 1.170328933e+03 1.927741266e+03 2.260720153e+03 2.260707151e+03 7.769265819e+02 1.279296927e+03 2.022782164e+03 8.018099646e+02 1.301349472e+03 1.10 2.036354662e+03 1.047565084e+03 1.734464645e+03 2.036561678e+03 2.036762639e+03 6.975903621e+02 1.147024533e+03 1.819910821e+03 7.179555975e+02 1.168355182e+03 1.12 1.835658012e+03 9.385145787e+02 1.561590261e+03 1.836020495e+03 1.836389812e+03 6.265981557e+02 1.029133782e+03 1.638871059e+03 6.434648443e+02 1.049796792e+03 1.14 1.656046016e+03 8.415076779e+02 1.406882384e+03 1.656500426e+03 1.656969322e+03 5.630520992e+02 9.240397769e+02 1.477087039e+03 5.771873045e+02 9.440896611e+02 1.16 1.495467696e+03 7.550533606e+02 1.268316694e+03 1.495913484e+03 1.496372703e+03 5.061292711e+02 8.303354120e+02 1.332715545e+03 5.180670298e+02 8.499153845e+02 1.18 1.351991411e+03 6.779299493e+02 1.144080602e+03 1.352325722e+03 1.352662221e+03 4.550892983e+02 7.467568061e+02 1.203202148e+03 4.652676457e+02 7.660301165e+02 1.20 1.222935774e+03 6.089861754e+02 1.032594116e+03 1.223175192e+03 1.223404871e+03 4.092865979e+02 6.721908647e+02 1.086856287e+03 4.180606697e+02 6.909584186e+02 1.22 1.106726567e+03 5.473049211e+02 9.324811770e+02 1.106895296e+03 1.107049949e+03 3.681626229e+02 6.056397973e+02 9.822609686e+02 3.757936402e+02 6.236356518e+02 1.24 1.002025697e+03 4.920976880e+02 8.428364448e+02 1.002166554e+03 1.002295689e+03 3.315205632e+02 5.462979023e+02 8.881972002e+02 3.380196201e+02 5.631724341e+02 1.26 9.076896917e+02 4.426670841e+02 7.621954965e+02 9.077923708e+02 9.078892083e+02 2.985132010e+02 4.931505516e+02 8.035844717e+02 3.040950857e+02 5.088402030e+02 1.28 8.226795283e+02 3.983840034e+02 6.895596059e+02 8.227211570e+02 8.227620107e+02 2.686850021e+02 4.454929864e+02 7.274452167e+02 2.735349091e+02 4.599886093e+02 1.30 7.460481675e+02 3.586826520e+02 6.241610938e+02 7.460177127e+02 7.459905262e+02 2.417496362e+02 4.026936673e+02 6.588860240e+02 2.459945765e+02 4.160293720e+02 1.32 6.769348721e+02 3.230723392e+02 5.653027937e+02 6.768379204e+02 6.767468889e+02 2.174462387e+02 3.642034973e+02 5.971012446e+02 2.211662057e+02 3.764290757e+02 1.34 6.145429271e+02 2.911178467e+02 5.123282763e+02 6.144007140e+02 6.142647792e+02 1.955367440e+02 3.295533901e+02 5.413925160e+02 1.987890583e+02 3.406984802e+02 1.36 5.581519316e+02 2.624280128e+02 4.646319596e+02 5.579957125e+02 5.578442565e+02 1.758238063e+02 2.983241676e+02 4.911322245e+02 1.787552975e+02 3.084027303e+02 1.38 5.071475509e+02 2.366559201e+02 4.216667131e+02 5.070065715e+02 5.068685892e+02 1.580939173e+02 2.702966662e+02 4.457256680e+02 1.606030071e+02 2.791810431e+02 1.40 4.609941140e+02 2.135033521e+02 3.829138417e+02 4.608853413e+02 4.607781155e+02 1.421285411e+02 2.449552849e+02 4.047056086e+02 1.441745642e+02 2.527235194e+02 1.42 4.192857907e+02 1.926913552e+02 3.478926108e+02 4.192114611e+02 4.191368362e+02 1.277250520e+02 2.219174438e+02 3.676957815e+02 1.293298430e+02 2.288731456e+02 1.44 3.816465241e+02 1.739538545e+02 3.161986679e+02 3.815984576e+02 3.815487214e+02 1.147172471e+02 2.009494065e+02 3.343365734e+02 1.159188030e+02 2.074430305e+02 1.46 3.475521856e+02 1.570479691e+02 2.875014701e+02 3.475196196e+02 3.474859950e+02 1.029723528e+02 1.818461520e+02 3.041666104e+02 1.038053186e+02 1.879017726e+02 1.48 3.166689676e+02 1.417646243e+02 2.615001944e+02 3.166424012e+02 3.166179787e+02 9.236824355e+01 1.644300633e+02 2.768577430e+02 9.286432065e+01 1.700886892e+02 1.50 2.886809311e+02 1.279208366e+02 2.379219779e+02 2.886567091e+02 2.886377217e+02 8.279660395e+01 1.485476060e+02 2.521095820e+02 8.298274108e+01 1.538515132e+02 1.52 2.632951353e+02 1.153583200e+02 2.165262879e+02 2.632759277e+02 2.632617959e+02 7.416681444e+01 1.340627837e+02 2.296400548e+02 7.406052963e+01 1.390498912e+02 1.54 2.402314807e+02 1.039696714e+02 1.970995407e+02 2.402225065e+02 2.402157431e+02 6.639698580e+01 1.208687331e+02 2.091999360e+02 6.601110938e+01 1.255775273e+02 1.56 2.192284094e+02 9.365049645e+01 1.794425071e+02 2.192346376e+02 2.192398257e+02 5.940719819e+01 1.088754448e+02 1.905664155e+02 5.875430238e+01 1.133199425e+02 1.58 2.000530448e+02 8.429199891e+01 1.633691061e+02 2.000787658e+02 2.001008120e+02 5.311883374e+01 9.797626697e+01 1.735602501e+02 5.221414632e+01 1.021605481e+02 1.60 1.825283004e+02 7.579815407e+01 1.487197921e+02 1.825759365e+02 1.826177850e+02 4.746262085e+01 8.807593545e+01 1.580295774e+02 4.632251614e+01 9.200352542e+01 1.62 1.665057492e+02 6.808250957e+01 1.353519146e+02 1.665746871e+02 1.666366063e+02 4.237359740e+01 7.918557181e+01 1.438387171e+02 4.101635843e+01 8.276374401e+01 1.64 1.518503473e+02 6.113166433e+01 1.231278010e+02 1.519364994e+02 1.520153137e+02 3.778440578e+01 7.107750514e+01 1.308622749e+02 3.629253178e+01 7.436012933e+01 1.66 1.384351125e+02 5.488492222e+01 1.119231196e+02 1.385320161e+02 1.386223032e+02 3.363152321e+01 6.368290169e+01 1.189844588e+02 3.203502497e+01 6.671637187e+01 1.68 1.261441709e+02 4.915673956e+01 1.016568794e+02 1.262436258e+02 1.263386704e+02 2.986327215e+01 5.694635438e+01 1.081044288e+02 2.817257388e+01 5.976369140e+01 1.70 1.148696641e+02 4.390420934e+01 9.225759587e+01 1.149641268e+02 1.150575869e+02 2.644551692e+01 5.082055756e+01 9.815225026e+01 2.467246725e+01 5.343834072e+01 1.72 1.045269976e+02 3.908877981e+01 8.365482091e+01 1.046111851e+02 1.046978701e+02 2.334914735e+01 4.526166233e+01 8.904395486e+01 2.150473810e+01 4.768231387e+01 1.74 9.504723789e+01 3.467496317e+01 7.584618288e+01 9.511864136e+01 9.519528875e+01 2.054592016e+01 4.022558241e+01 8.070502497e+01 1.864153327e+01 4.244711373e+01 1.76 8.635442534e+01 3.063105873e+01 6.875983924e+01 8.641190212e+01 8.647616540e+01 1.800862851e+01 3.566780974e+01 7.307247013e+01 1.605632894e+01 3.769224342e+01 1.78 7.838586484e+01 2.692912064e+01 6.223081131e+01 7.842889087e+01 7.847879914e+01 1.571177844e+01 3.154701934e+01 6.608721527e+01 1.372107223e+01 3.338234356e+01 1.80 7.108308502e+01 2.362873593e+01 5.621527632e+01 7.111170875e+01 7.114607742e+01 1.363129858e+01 2.782298906e+01 5.969353775e+01 1.160837196e+01 2.948173696e+01 1.82 6.439237920e+01 2.064523615e+01 5.067254314e+01 6.440677476e+01 6.442505573e+01 1.174459621e+01 2.445302084e+01 5.384130096e+01 9.692909984e+00 2.595610266e+01 1.84 5.826479986e+01 1.788434526e+01 4.556516268e+01 5.826513438e+01 5.826733616e+01 1.003085199e+01 2.139627595e+01 4.848686690e+01 7.955312476e+00 2.277427315e+01 1.86 5.265310699e+01 1.533351383e+01 4.086046512e+01 5.264017510e+01 5.262726986e+01 8.472580918e+00 1.861693529e+01 4.358998162e+01 6.380681053e+00 1.990525698e+01 1.88 4.751061463e+01 1.298124565e+01 3.653196621e+01 4.748612248e+01 4.746026488e+01 7.057349933e+00 1.608932172e+01 3.911122698e+01 4.956653221e+00 1.731367810e+01 1.90 4.279428078e+01 1.081657324e+01 3.255497439e+01 4.276060756e+01 4.272464318e+01 5.774229836e+00 1.382613227e+01 3.501377362e+01 3.671688009e+00 1.496581339e+01 1.92 3.846611893e+01 8.829074787e+00 2.890509598e+01 3.842565257e+01 3.838233557e+01 4.612532263e+00 1.177299261e+01 3.126415288e+01 2.514427154e+00 1.283211309e+01 1.94 3.449478622e+01 7.008460447e+00 2.555870921e+01 3.444964802e+01 3.440151591e+01 3.562231778e+00 9.898626282e+00 2.783366487e+01 1.474251328e+00 1.089189547e+01 1.96 3.085413458e+01 5.344140429e+00 2.249365203e+01 3.080627169e+01 3.075569218e+01 2.614165113e+00 8.189841565e+00 2.486896379e+01 5.412385423e-01 9.131896328e+00 1.98 2.751971704e+01 3.826021188e+00 1.968927565e+01 2.747106043e+01 2.742031144e+01 1.759959912e+00 6.634586624e+00 2.211673048e+01 -2.935696251e-01 7.539935567e+00 2.00 2.446906534e+01 2.445839858e+00 1.712720285e+01 2.442170568e+01 2.437312620e+01 9.926560818e-01 5.221525897e+00 1.956194633e+01 -1.038116859e+00 6.103968432e+00 2.02 2.193019745e+01 1.227016408e+00 1.495614740e+01 2.188635999e+01 2.184225339e+01 3.889932459e-01 4.022859927e+00 1.727605885e+01 -1.637760728e+00 4.936245332e+00 2.04 1.954377857e+01 1.196355150e-01 1.293309294e+01 1.950564969e+01 1.946800016e+01 -1.703388872e-01 2.914769069e+00 1.513524104e+01 -2.184166791e+00 3.855108028e+00 2.06 1.730237597e+01 -8.823293743e-01 1.104904986e+01 1.727173225e+01 1.724192927e+01 -6.877300396e-01 1.890582329e+00 1.313336985e+01 -2.680300658e+00 2.854902232e+00 2.08 1.520048021e+01 -1.785156263e+00 9.295654153e+00 1.517834613e+01 1.515709397e+01 -1.165231334e+00 9.454256776e-01 1.126481722e+01 -3.128607349e+00 1.930494445e+00 2.10 1.323227127e+01 -2.594979798e+00 7.664891905e+00 1.321890548e+01 1.320626741e+01 -1.604893403e+00 7.570936487e-02 9.523212227e+00 -3.531370898e+00 1.076447966e+00 2.12 1.139094592e+01 -3.317603244e+00 6.150748833e+00 1.138619595e+01 1.138192644e+01 -2.008604772e+00 -7.234337322e-01 7.902082483e+00 -3.890704563e+00 2.867985405e-01 2.14 9.670375208e+00 -3.958660297e+00 4.748597426e+00 9.673794883e+00 9.677449420e+00 -2.377969764e+00 -1.457304065e+00 6.395264365e+00 -4.209292317e+00 -4.437400642e-01 2.16 8.065792657e+00 -4.525229301e+00 3.453676162e+00 8.076603548e+00 8.087491812e+00 -2.714667131e+00 -2.131042751e+00 4.997284996e+00 -4.490771405e+00 -1.117984578e+00 2.18 6.572444316e+00 -5.024258366e+00 2.260784312e+00 6.589520728e+00 6.606610082e+00 -3.020493045e+00 -2.748946316e+00 3.702642808e+00 -4.738418992e+00 -1.738385878e+00 2.20 5.185375362e+00 -5.462312144e+00 1.164362355e+00 5.207287033e+00 5.229198785e+00 -3.297198332e+00 -3.313401956e+00 2.505720702e+00 -4.955155406e+00 -2.307609117e+00 2.22 3.899357382e+00 -5.845995478e+00 1.593656714e-01 3.924574005e+00 3.949790629e+00 -3.546272689e+00 -3.826180836e+00 1.400839929e+00 -5.143380575e+00 -2.828481241e+00 2.24 2.708691762e+00 -6.180724689e+00 -7.586796513e-01 2.735881728e+00 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