# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Ravelo-R-Germann-T-C-Guerrero-O-et-al--Ta-2 # implementation = 2013--Ravelo-R--Ta-2--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 1.027668657e+03 nan 0.74 nan nan nan nan nan nan nan nan 9.437812737e+02 nan 0.76 nan nan nan nan nan 7.347805203e+02 nan nan 8.680250691e+02 nan 0.78 nan nan nan nan nan 6.748550690e+02 nan nan 7.994042701e+02 nan 0.80 nan nan nan nan nan 6.205684032e+02 nan nan 7.371053329e+02 nan 0.82 nan nan nan nan nan 5.713340749e+02 nan nan 6.804298570e+02 nan 0.84 nan nan nan nan nan 5.266015690e+02 nan nan 6.287376346e+02 nan 0.86 nan nan nan nan nan 4.858298716e+02 nan nan 5.814428892e+02 nan 0.88 nan nan nan 1.076092470e+03 1.076084369e+03 4.485139165e+02 nan nan 5.380341495e+02 7.442679088e+02 0.90 nan 6.970916199e+02 nan 1.004302958e+03 1.004328034e+03 4.142223006e+02 7.050634144e+02 nan 4.980847705e+02 6.921825602e+02 0.92 nan 6.489737440e+02 nan 9.382714574e+02 9.383180777e+02 3.826161467e+02 6.564160092e+02 nan 4.612511763e+02 6.442701251e+02 0.94 nan 6.045891466e+02 nan 8.774058433e+02 8.774487397e+02 3.534331812e+02 6.115627584e+02 nan 4.272642744e+02 6.000965391e+02 0.96 nan 5.635696411e+02 nan 8.211957241e+02 8.212113461e+02 3.264529861e+02 5.701346378e+02 nan 3.959038427e+02 5.592630555e+02 0.98 nan 5.255930828e+02 nan 7.691991761e+02 7.691804525e+02 3.014802048e+02 5.317964298e+02 7.224044171e+02 3.669687915e+02 5.214128960e+02 1.00 7.211211942e+02 4.903759010e+02 6.578788483e+02 7.210252172e+02 7.209823195e+02 2.783475060e+02 4.962372313e+02 6.767490985e+02 3.402610290e+02 4.862536026e+02 1.02 6.764045402e+02 4.576646722e+02 6.164883631e+02 6.763212657e+02 6.762722784e+02 2.569163068e+02 4.631747870e+02 6.343408336e+02 3.155822071e+02 4.535589934e+02 1.04 6.348029073e+02 4.272315802e+02 5.779692877e+02 6.347699606e+02 6.347309597e+02 2.370714310e+02 4.323675396e+02 5.949016913e+02 2.927363500e+02 4.231514142e+02 1.06 5.960633851e+02 3.988739351e+02 5.420823514e+02 5.960860197e+02 5.960646749e+02 2.187168376e+02 4.036211320e+02 5.581854837e+02 2.715342048e+02 3.948846955e+02 1.08 5.599583784e+02 3.724127734e+02 5.086199241e+02 5.600110974e+02 5.600054426e+02 2.017640842e+02 3.767848661e+02 5.239616437e+02 2.517989404e+02 3.686232865e+02 1.10 5.262674302e+02 3.476920490e+02 4.773917532e+02 5.263127877e+02 5.263150264e+02 1.861196412e+02 3.517407680e+02 4.920105066e+02 2.333724127e+02 3.442228207e+02 1.12 4.947772118e+02 3.245748436e+02 4.482131426e+02 4.947876261e+02 4.947895632e+02 1.716768096e+02 3.283856047e+02 4.621278324e+02 2.161205509e+02 3.215247923e+02 1.14 4.652905071e+02 3.029378835e+02 4.209004281e+02 4.652598352e+02 4.652570080e+02 1.583184253e+02 3.066139861e+02 4.341292961e+02 1.999342268e+02 3.003644432e+02 1.16 4.376289713e+02 2.826700469e+02 3.952773397e+02 4.375723515e+02 4.375666558e+02 1.460358549e+02 2.863116671e+02 4.078520625e+02 1.847279180e+02 2.805824251e+02 1.18 4.116353802e+02 2.636723139e+02 3.711848440e+02 4.115806666e+02 4.115796518e+02 1.347872791e+02 2.673584047e+02 3.831556422e+02 1.704361879e+02 2.620331669e+02 1.20 3.871758615e+02 2.458558186e+02 3.484904066e+02 3.871517964e+02 3.871648608e+02 1.244879862e+02 2.496330076e+02 3.599226075e+02 1.570290388e+02 2.445893787e+02 1.22 3.641405125e+02 2.291382598e+02 3.270913121e+02 3.641657900e+02 3.641994694e+02 1.150576148e+02 2.330176215e+02 3.380563593e+02 1.446046291e+02 2.281460235e+02 1.24 3.424397593e+02 2.134411975e+02 3.069109937e+02 3.425170371e+02 3.425720131e+02 1.064170588e+02 2.174014626e+02 3.174760646e+02 1.331718688e+02 2.126198984e+02 1.26 3.219978145e+02 1.986893056e+02 2.878904561e+02 3.221140026e+02 3.221846599e+02 9.848851226e+01 2.026843566e+02 2.981106267e+02 1.226977999e+02 1.979470237e+02 1.28 3.027453484e+02 1.848116107e+02 2.699800920e+02 3.028762770e+02 3.029517301e+02 9.119814926e+01 1.887803777e+02 2.798922824e+02 1.131254958e+02 1.840782091e+02 1.30 2.846141157e+02 1.717437036e+02 2.531333767e+02 2.847310168e+02 2.847972130e+02 8.447860971e+01 1.756203876e+02 2.627520115e+02 1.043798901e+02 1.709731458e+02 1.32 2.675358002e+02 1.594412374e+02 2.373012623e+02 2.676113354e+02 2.676536747e+02 7.826930445e+01 1.631516102e+02 2.466187785e+02 9.637935253e+01 1.586109389e+02 1.34 2.514421992e+02 1.479599102e+02 2.224281482e+02 2.514555949e+02 2.514617369e+02 7.251548980e+01 1.514175450e+02 2.314201120e+02 8.904514361e+01 1.470694744e+02 1.36 2.362643517e+02 1.372902982e+02 2.084507369e+02 2.362056909e+02 2.361683363e+02 6.716727372e+01 1.404570224e+02 2.170832152e+02 8.230571442e+01 1.363528310e+02 1.38 2.219332125e+02 1.273950009e+02 1.953001121e+02 2.218057559e+02 2.217244629e+02 6.217917544e+01 1.302538909e+02 2.035372798e+02 7.609691900e+01 1.264339959e+02 1.40 2.083812504e+02 1.182260131e+02 1.829050080e+02 2.082011060e+02 2.080826331e+02 5.751027484e+01 1.207793858e+02 1.907159623e+02 7.036086400e+01 1.172740956e+02 1.42 1.955441876e+02 1.097256773e+02 1.711945275e+02 1.953375249e+02 1.951948462e+02 5.312472213e+01 1.119927257e+02 1.785593896e+02 6.504499266e+01 1.088248009e+02 1.44 1.833629781e+02 1.018319465e+02 1.601106023e+02 1.831613313e+02 1.830117488e+02 4.899189428e+01 1.038454057e+02 1.670157370e+02 6.010154195e+01 1.010330118e+02 1.46 1.717860881e+02 9.448455242e+01 1.496762796e+02 1.716204781e+02 1.714831542e+02 4.508763313e+01 9.628734874e+01 1.560786582e+02 5.548713875e+01 9.384501664e+01 1.48 1.607792596e+02 8.762922092e+01 1.398672484e+02 1.606748175e+02 1.605685264e+02 4.139560728e+01 8.927140671e+01 1.457955788e+02 5.116268414e+01 8.720896149e+01 1.50 1.503928363e+02 8.121889837e+01 1.306461139e+02 1.503633463e+02 1.503033016e+02 3.790745891e+01 8.275534913e+01 1.361528583e+02 4.709337447e+01 8.107547330e+01 1.52 1.406347910e+02 7.521314433e+01 1.219777157e+02 1.406802445e+02 1.406746362e+02 3.462174340e+01 7.670187818e+01 1.271300153e+02 4.324901520e+01 7.539743080e+01 1.54 1.314900800e+02 6.957724210e+01 1.138289971e+02 1.316000939e+02 1.316503469e+02 3.154201463e+01 7.107762002e+01 1.186990712e+02 3.960530321e+01 7.012973150e+01 1.56 1.229358203e+02 6.428162582e+01 1.061688815e+02 1.230937260e+02 1.231951226e+02 2.867316222e+01 6.585158003e+01 1.108241069e+02 3.614494281e+01 6.522932164e+01 1.58 1.149405285e+02 5.930157654e+01 9.896815568e+01 1.151272544e+02 1.152701869e+02 2.601703517e+01 6.099371792e+01 1.034641007e+02 3.285818761e+01 6.065545794e+01 1.60 1.074658443e+02 5.461607337e+01 9.219936047e+01 1.076627736e+02 1.078342877e+02 2.356988651e+01 5.647396654e+01 9.657666035e+01 2.974260520e+01 5.637000291e+01 1.62 1.004702143e+02 5.020651475e+01 8.583668677e+01 1.006609430e+02 1.008462860e+02 2.132235013e+01 5.226193948e+01 9.012111393e+01 2.680169009e+01 5.233773383e+01 1.64 9.391236056e+01 4.605597435e+01 7.985587803e+01 9.408360412e+01 9.426765355e+01 1.926104146e+01 4.832736326e+01 8.406058105e+01 2.404198047e+01 4.852668301e+01 1.66 8.775367667e+01 4.214849124e+01 7.423413821e+01 8.789565804e+01 8.806422388e+01 1.737052122e+01 4.464068521e+01 7.836258025e+01 2.146907888e+01 4.490823218e+01 1.68 8.195952317e+01 3.846935806e+01 6.895004497e+01 8.206601952e+01 8.220697722e+01 1.563482976e+01 4.117387614e+01 7.299927728e+01 1.908434754e+01 4.145768909e+01 1.70 7.650029995e+01 3.500589063e+01 6.398346792e+01 7.656829026e+01 7.667236566e+01 1.403842749e+01 3.790160144e+01 6.794715504e+01 1.688373547e+01 3.815560970e+01 1.72 7.135133338e+01 3.174784813e+01 5.931549156e+01 7.138037776e+01 7.144157233e+01 1.256671830e+01 3.480222983e+01 6.318596670e+01 1.485860739e+01 3.498880438e+01 1.74 6.649186507e+01 2.868736401e+01 5.492834266e+01 6.648342660e+01 6.649912256e+01 1.120633150e+01 3.185856882e+01 5.869764766e+01 1.299751807e+01 3.195073862e+01 1.76 6.190399479e+01 2.581852604e+01 5.080532189e+01 6.186082863e+01 6.183158821e+01 9.945243341e+00 2.905832926e+01 5.446540222e+01 1.128792110e+01 2.904143390e+01 1.78 5.757170441e+01 2.313664592e+01 4.693073942e+01 5.749739158e+01 5.742652770e+01 8.772835936e+00 2.639427991e+01 5.047311340e+01 9.717338499e+00 2.626658520e+01 1.80 5.348003486e+01 2.063728893e+01 4.328985422e+01 5.337873952e+01 5.327179921e+01 7.680157491e+00 2.386383972e+01 4.670502657e+01 8.274088406e+00 2.363544987e+01 1.82 4.961448273e+01 1.831530374e+01 3.986881696e+01 4.949094525e+01 4.935519601e+01 6.659887153e+00 2.146768442e+01 4.314549060e+01 6.947559339e+00 2.115762737e+01 1.84 4.596059112e+01 1.616418587e+01 3.665461624e+01 4.582025841e+01 4.566418706e+01 5.706012506e+00 1.920763583e+01 3.977925090e+01 5.728123059e+00 1.883988533e+01 1.86 4.250375971e+01 1.417595916e+01 3.363502795e+01 4.235291965e+01 4.218575378e+01 4.813530610e+00 1.708457810e+01 3.659211982e+01 4.606987582e+00 1.668437981e+01 1.88 3.922973377e+01 1.234149140e+01 3.079856764e+01 3.907551829e+01 3.890676706e+01 3.978187472e+00 1.509714925e+01 3.357167094e+01 3.576077225e+00 1.468862702e+01 1.90 3.612534925e+01 1.065101990e+01 2.813444568e+01 3.597551512e+01 3.581449736e+01 3.196238387e+00 1.324146662e+01 3.070780010e+01 2.627956035e+00 1.284660312e+01 1.92 3.317920688e+01 9.094672370e+00 2.563252508e+01 3.304170326e+01 3.289705931e+01 2.464224589e+00 1.151163980e+01 2.799306447e+01 1.755780603e+00 1.115011536e+01 1.94 3.038217893e+01 7.662853481e+00 2.328328178e+01 3.026456862e+01 3.014377395e+01 1.778793280e+00 9.900618222e+00 2.542274661e+01 9.532773265e-01 9.589915336e+00 1.96 2.772772103e+01 6.346453812e+00 2.107776735e+01 2.763654120e+01 2.754545484e+01 1.136596069e+00 8.400990436e+00 2.299454777e+01 2.148140407e-01 8.156410303e+00 1.98 2.521192004e+01 5.136897577e+00 1.900757387e+01 2.515206460e+01 2.509455444e+01 5.342843082e-01 7.005551699e+00 2.070777217e+01 -4.645855316e-01 6.840051638e+00 2.00 2.283314394e+01 4.026078823e+00 1.706480091e+01 2.280736138e+01 2.278506395e+01 -3.140990952e-02 5.707720309e+00 1.856213478e+01 -1.089363823e+00 5.631532708e+00 2.02 2.059121506e+01 3.006248729e+00 1.524202449e+01 2.059983506e+01 2.061211606e+01 -5.635379848e-01 4.501716520e+00 1.655654463e+01 -1.663559514e+00 4.521887959e+00 2.04 1.848622270e+01 2.069912943e+00 1.353226794e+01 1.852720210e+01 1.857135787e+01 -1.064761842e+00 3.382477366e+00 1.468824761e+01 -2.190919826e+00 3.502548604e+00 2.06 1.651736084e+01 1.209778495e+00 1.192897440e+01 1.658665504e+01 1.665832952e+01 -1.537143912e+00 2.345518214e+00 1.295255057e+01 -2.674979321e+00 2.565478551e+00 2.08 1.468218329e+01 4.187619556e-01 1.042598113e+01 1.477434420e+01 1.486806879e+01 -1.981956643e+00 1.386794064e+00 1.134307515e+01 -3.119094215e+00 1.703405747e+00 2.10 1.297631288e+01 -3.099574022e-01 9.017495246e+00 1.308515334e+01 1.319489501e+01 -2.399596254e+00 5.025701873e-01 9.852240594e+00 -3.526431464e+00 9.098186511e-01 2.12 1.139363607e+01 -9.828662119e-01 7.698070979e+00 1.151281558e+01 1.163244608e+01 -2.789491699e+00 -3.106963061e-01 8.471814852e+00 -3.899921913e+00 1.788914913e-01 2.14 9.926799028e+00 -1.606043339e+00 6.462588313e+00 1.005025847e+01 1.017390958e+01 -3.150148554e+00 -1.056459664e+00 7.193399526e+00 -4.242192930e+00 -4.945925740e-01 2.16 8.567764689e+00 -2.185088253e+00 5.306232913e+00 8.690011988e+00 8.812326024e+00 -3.479477863e+00 -1.738167741e+00 6.008780057e+00 -4.555524573e+00 -1.115322376e+00 2.18 7.308287499e+00 -2.725053265e+00 4.224477274e+00 7.424571164e+00 7.540872834e+00 -3.775438776e+00 -2.359318512e+00 4.910142114e+00 -4.841821751e+00 -1.687542550e+00 2.20 6.140260342e+00 -3.230381459e+00 3.213063031e+00 6.246667290e+00 6.353077669e+00 -4.036804560e+00 -2.923489373e+00 3.890187457e+00 -5.102569623e+00 -2.215134923e+00 2.22 5.055939613e+00 -3.704852196e+00 2.267984346e+00 5.149441292e+00 5.242943354e+00 -4.263664716e+00 -3.434341727e+00 2.942186879e+00 -5.338822288e+00 -2.701688540e+00 2.24 4.048077658e+00 -4.151536018e+00 1.385472317e+00 4.126536125e+00 4.204994609e+00 -4.457328866e+00 -3.895605857e+00 2.059995660e+00 -5.551244960e+00 -3.150547721e+00 2.26 3.109995402e+00 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