# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Mason-D-R-Nguyen-Manh-D-Becquart-C-S--W # implementation = 2017--Mason-D-R--W--LAMMPS--ipr1 # composition = W # 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 1.025892565e+04 nan 0.62 nan nan nan nan nan nan nan nan 8.894026172e+03 nan 0.64 nan nan nan nan nan nan nan nan 7.730883041e+03 nan 0.66 nan nan nan nan nan 5.991476605e+03 nan nan 6.734454003e+03 nan 0.68 nan nan nan nan nan 5.228197996e+03 nan nan 5.878655044e+03 nan 0.70 nan nan nan nan nan 4.572357006e+03 nan nan 5.140985159e+03 nan 0.72 nan nan nan nan nan 4.009521432e+03 nan nan 4.503326206e+03 nan 0.74 nan nan nan 9.587875288e+03 9.588721327e+03 3.527042116e+03 nan nan 3.951848458e+03 nan 0.76 nan 5.050972166e+03 nan 8.507417167e+03 8.508759148e+03 3.113237582e+03 5.315344448e+03 nan 3.475016472e+03 5.306789038e+03 0.78 nan 4.481087792e+03 nan 7.566297473e+03 7.567618808e+03 2.757423698e+03 4.699629804e+03 nan 3.062778106e+03 4.693716632e+03 0.80 nan 3.983380932e+03 nan 6.743614054e+03 6.744551040e+03 2.450269355e+03 4.162246171e+03 nan 2.706444486e+03 4.156118316e+03 0.82 nan 3.546731511e+03 nan 6.022131341e+03 6.022684390e+03 2.184014976e+03 3.693419029e+03 nan 2.398343659e+03 3.684962659e+03 0.84 5.387074633e+03 3.161834256e+03 4.736194825e+03 5.387596588e+03 5.387992884e+03 1.952084645e+03 3.283338469e+03 4.919024586e+03 2.131049732e+03 3.272565033e+03 0.86 4.827385344e+03 2.820390211e+03 4.244518263e+03 4.827997922e+03 4.828443056e+03 1.748998224e+03 2.923814114e+03 4.404420470e+03 1.897752134e+03 2.912243819e+03 0.88 4.332502688e+03 2.516520004e+03 3.809853587e+03 4.333239983e+03 4.333790006e+03 1.570268959e+03 2.608244821e+03 3.949958468e+03 1.693173801e+03 2.597835546e+03 0.90 3.894585728e+03 2.245933385e+03 3.423221029e+03 3.895215556e+03 3.895774446e+03 1.412122594e+03 2.330997875e+03 3.548243010e+03 1.513143722e+03 2.323513396e+03 0.92 3.506697605e+03 2.004529821e+03 3.077418533e+03 3.506995770e+03 3.507428605e+03 1.271409207e+03 2.087167701e+03 3.192604480e+03 1.354268113e+03 2.083707216e+03 0.94 3.162477963e+03 1.788369610e+03 2.767540613e+03 3.162437211e+03 3.162644655e+03 1.145739978e+03 1.872444682e+03 2.877147177e+03 1.213765321e+03 1.873448637e+03 0.96 2.856341331e+03 1.594793939e+03 2.489905779e+03 2.856095547e+03 2.856050440e+03 1.033332753e+03 1.682904956e+03 2.596785887e+03 1.089379264e+03 1.688441538e+03 0.98 2.583546250e+03 1.421844485e+03 2.241202655e+03 2.583202257e+03 2.582929958e+03 9.326005992e+02 1.514817244e+03 2.347026246e+03 9.791491106e+02 1.525005432e+03 1.00 2.339967451e+03 1.267762970e+03 2.018597925e+03 2.339580105e+03 2.339137246e+03 8.421935076e+02 1.365143377e+03 2.123038374e+03 8.813723748e+02 1.380003159e+03 1.02 2.121468845e+03 1.130915550e+03 1.819359404e+03 2.121100661e+03 2.120587867e+03 7.607986134e+02 1.231388306e+03 1.920343056e+03 7.944147566e+02 1.250549439e+03 1.04 1.923144455e+03 1.009717010e+03 1.640153493e+03 1.922888136e+03 1.922454489e+03 6.868794807e+02 1.111103444e+03 1.735522119e+03 7.165546312e+02 1.133598089e+03 1.06 1.741653926e+03 9.027474013e+02 1.478387603e+03 1.741564323e+03 1.741327364e+03 6.193643205e+02 1.002494222e+03 1.566435025e+03 6.464580084e+02 1.027007460e+03 1.08 1.575115695e+03 8.086294125e+02 1.332243201e+03 1.575160469e+03 1.575151953e+03 5.575911903e+02 9.042899253e+02 1.411808519e+03 5.831717477e+02 9.295051803e+02 1.10 1.422433535e+03 7.259785725e+02 1.200331885e+03 1.422559349e+03 1.422750822e+03 5.011288552e+02 8.155557235e+02 1.270827215e+03 5.259831551e+02 8.403458229e+02 1.12 1.282861574e+03 6.534654894e+02 1.081494367e+03 1.283065586e+03 1.283404393e+03 4.496815747e+02 7.355576442e+02 1.142891792e+03 4.743033749e+02 7.589604338e+02 1.14 1.155857444e+03 5.898887539e+02 9.747307574e+02 1.156152798e+03 1.156577491e+03 4.030487024e+02 6.636336803e+02 1.027458821e+03 4.276227096e+02 6.849343797e+02 1.16 1.040969419e+03 5.341317652e+02 8.791037131e+02 1.041328420e+03 1.041763551e+03 3.609971547e+02 5.991288612e+02 9.239672779e+02 3.854978187e+02 6.179037003e+02 1.18 9.377043465e+02 4.851332562e+02 7.937012847e+02 9.380700083e+02 9.384458146e+02 3.232407468e+02 5.414055600e+02 8.317727585e+02 3.475599189e+02 5.574778757e+02 1.20 8.454517159e+02 4.419082757e+02 7.176305549e+02 8.457607878e+02 8.460246821e+02 2.894789533e+02 4.898630777e+02 7.501025010e+02 3.135003321e+02 5.032215516e+02 1.22 7.634965495e+02 4.035660099e+02 6.500492819e+02 7.636930636e+02 7.638167975e+02 2.594244971e+02 4.439413862e+02 6.780471639e+02 2.829932878e+02 4.546408141e+02 1.24 6.910192816e+02 3.693348183e+02 5.901891838e+02 6.910639853e+02 6.910457341e+02 2.328118287e+02 4.031061632e+02 6.146339702e+02 2.556979964e+02 4.112619403e+02 1.26 6.271081108e+02 3.385968640e+02 5.372943108e+02 6.269943481e+02 6.268543180e+02 2.093576890e+02 3.668259348e+02 5.588888880e+02 2.313034711e+02 3.726413214e+02 1.28 5.708074565e+02 3.108541627e+02 4.905900884e+02 5.705730065e+02 5.703433985e+02 1.887630135e+02 3.345793982e+02 5.098820036e+02 2.095106688e+02 3.383282152e+02 1.30 5.212162460e+02 2.857113033e+02 4.493060078e+02 5.209139319e+02 5.206284558e+02 1.707152147e+02 3.058599720e+02 4.667446149e+02 1.900480985e+02 3.078962141e+02 1.32 4.775001046e+02 2.628450937e+02 4.127085229e+02 4.771811960e+02 4.768756348e+02 1.549025530e+02 2.802027889e+02 4.286642484e+02 1.726796445e+02 2.809306028e+02 1.34 4.388812107e+02 2.419761693e+02 3.801427059e+02 4.385871772e+02 4.383005961e+02 1.410175178e+02 2.571832564e+02 3.948989981e+02 1.571770081e+02 2.569913433e+02 1.36 4.046244244e+02 2.228725239e+02 3.510302550e+02 4.043938678e+02 4.041706923e+02 1.287811383e+02 2.364313312e+02 3.647905124e+02 1.433130647e+02 2.356497100e+02 1.38 3.740632038e+02 2.053694817e+02 3.248709458e+02 3.739296490e+02 3.738068623e+02 1.179528066e+02 2.176332033e+02 3.377647601e+02 1.308730951e+02 2.165161333e+02 1.40 3.466337009e+02 1.893279404e+02 3.012215713e+02 3.466147981e+02 3.466061874e+02 1.083160093e+02 2.005227724e+02 3.133371879e+02 1.196583306e+02 1.992706282e+02 1.42 3.218714234e+02 1.746047223e+02 2.796825251e+02 3.219552808e+02 3.220462621e+02 9.966740976e+01 1.848653014e+02 2.911107520e+02 1.094945541e+02 1.836687528e+02 1.44 2.993859081e+02 1.610495488e+02 2.599114564e+02 2.995416341e+02 2.996998861e+02 9.183097817e+01 1.704716856e+02 2.707636272e+02 1.002399551e+02 1.695096690e+02 1.46 2.788355989e+02 1.485167874e+02 2.416368025e+02 2.790299847e+02 2.792212395e+02 8.466981571e+01 1.572012343e+02 2.520090467e+02 9.177819489e+01 1.565948875e+02 1.48 2.599157751e+02 1.368820389e+02 2.246443663e+02 2.601220507e+02 2.603193674e+02 7.807737751e+01 1.449346760e+02 2.346175743e+02 8.400820234e+01 1.447336027e+02 1.50 2.423710438e+02 1.260451332e+02 2.087743611e+02 2.425669169e+02 2.427514205e+02 7.197723451e+01 1.335702531e+02 2.184253753e+02 7.684385571e+01 1.337674871e+02 1.52 2.259991185e+02 1.159248680e+02 1.939052350e+02 2.261692827e+02 2.263296018e+02 6.631071177e+01 1.230237976e+02 2.032935396e+02 7.021413930e+01 1.235674060e+02 1.54 2.106800000e+02 1.064666782e+02 1.799692055e+02 2.108156356e+02 2.109456628e+02 6.104491220e+01 1.132382078e+02 1.891252876e+02 6.407440388e+01 1.140552222e+02 1.56 1.963192470e+02 9.762629871e+01 1.669138169e+02 1.964178891e+02 1.965147707e+02 5.615273670e+01 1.041560435e+02 1.758413390e+02 5.839061371e+01 1.051756579e+02 1.58 1.828363275e+02 8.936832797e+01 1.546989945e+02 1.828967441e+02 1.829587127e+02 5.161763747e+01 9.572073116e+01 1.633808262e+02 5.313244143e+01 9.688851067e+01 1.60 1.701778161e+02 8.166186170e+01 1.432867556e+02 1.701981223e+02 1.702227166e+02 4.741935899e+01 8.788019326e+01 1.516864986e+02 4.827235054e+01 8.916161642e+01 1.62 1.582928738e+02 7.447687474e+01 1.326360606e+02 1.582726288e+02 1.582587895e+02 4.353365646e+01 8.058990739e+01 1.407040591e+02 4.378310259e+01 8.196123249e+01 1.64 1.471250598e+02 6.778545772e+01 1.227016031e+02 1.470690116e+02 1.470201602e+02 3.993607355e+01 7.381119535e+01 1.303823120e+02 3.963848861e+01 7.525161303e+01 1.66 1.366174658e+02 6.156191492e+01 1.134369646e+02 1.365382189e+02 1.364639252e+02 3.660150671e+01 6.751014349e+01 1.206773187e+02 3.581341281e+01 6.899747766e+01 1.68 1.267241720e+02 5.577911313e+01 1.048002238e+02 1.266380976e+02 1.265530963e+02 3.350871903e+01 6.165817921e+01 1.115544559e+02 3.228449187e+01 6.316623892e+01 1.70 1.174123217e+02 5.041387245e+01 9.674675876e+01 1.173330075e+02 1.172521386e+02 3.063897845e+01 5.622707876e+01 1.029832892e+02 2.902876358e+01 5.772926980e+01 1.72 1.086465771e+02 4.544739944e+01 8.922666009e+01 1.085847202e+02 1.085200654e+02 2.796879202e+01 5.118726925e+01 9.493747068e+01 2.602520938e+01 5.266227881e+01 1.74 1.003994261e+02 4.085783076e+01 8.219380342e+01 1.003612831e+02 1.003205650e+02 2.547364053e+01 4.651130043e+01 8.739463811e+01 2.325384325e+01 4.794486060e+01 1.76 9.264938202e+01 3.662037649e+01 7.560230963e+01 9.263543335e+01 9.262030849e+01 2.313256539e+01 4.217452330e+01 8.033639534e+01 2.069449872e+01 4.355928999e+01 1.78 8.537783961e+01 3.270954605e+01 6.941841860e+01 8.538557498e+01 8.539306750e+01 2.093324658e+01 3.815368094e+01 7.374828414e+01 1.832863967e+01 3.948875668e+01 1.80 7.856805373e+01 2.909856035e+01 6.361167661e+01 7.859261545e+01 7.861717717e+01 1.886422295e+01 3.442567146e+01 6.761375989e+01 1.613789325e+01 3.571681636e+01 1.82 7.220812301e+01 2.576010830e+01 5.815982018e+01 7.224309845e+01 7.227807390e+01 1.691803867e+01 3.096833685e+01 6.191262923e+01 1.410470244e+01 3.223456157e+01 1.84 6.628811727e+01 2.266944359e+01 5.304624244e+01 6.632633784e+01 6.636455841e+01 1.509014329e+01 2.775939333e+01 5.662296378e+01 1.221551241e+01 2.903042626e+01 1.86 6.079410143e+01 1.980621024e+01 4.825502432e+01 6.082833364e+01 6.086256585e+01 1.337643673e+01 2.477624311e+01 5.171504487e+01 1.046061567e+01 2.608746023e+01 1.88 5.569931708e+01 1.715314671e+01 4.377011222e+01 5.572468731e+01 5.575005754e+01 1.177288705e+01 2.200151929e+01 4.715514544e+01 8.830091275e+00 2.338340769e+01 1.90 5.096782244e+01 1.469623247e+01 3.957738390e+01 5.098160295e+01 5.099538346e+01 1.027659168e+01 1.942192822e+01 4.291090983e+01 7.316878372e+00 2.089170794e+01 1.92 4.656047696e+01 1.242181480e+01 3.566539023e+01 4.656236278e+01 4.656424859e+01 8.886788211e+00 1.702529547e+01 3.895104126e+01 5.916642138e+00 1.858354873e+01 1.94 4.244224338e+01 1.031997818e+01 3.202570762e+01 4.243428469e+01 4.242632599e+01 7.605497774e+00 1.480288423e+01 3.525048627e+01 4.624986914e+00 1.643535334e+01 1.96 3.858538620e+01 8.382739582e+00 2.864983927e+01 3.857153872e+01 3.855769124e+01 6.433256630e+00 1.274533095e+01 3.179027823e+01 3.438860151e+00 1.443072529e+01 1.98 3.496994332e+01 6.600589473e+00 2.552650201e+01 3.495473345e+01 3.493952358e+01 5.367136552e+00 1.084155324e+01 2.855584507e+01 2.354565465e+00 1.255818891e+01 2.00 3.158669283e+01 4.966321082e+00 2.264011642e+01 3.157293447e+01 3.155917611e+01 4.399336348e+00 9.079843587e+00 2.553606694e+01 1.366141383e+00 1.081484197e+01 2.02 2.842445949e+01 3.471813534e+00 1.997263940e+01 2.841397784e+01 2.840349619e+01 3.519297856e+00 7.450258909e+00 2.271852209e+01 4.683551465e-01 9.192710522e+00 2.04 2.547045200e+01 2.108959318e+00 1.750434496e+01 2.546410093e+01 2.545774987e+01 2.715138290e+00 5.943492026e+00 2.008956137e+01 -3.465024841e-01 7.682853650e+00 2.06 2.271055986e+01 8.698243706e-01 1.521680315e+01 2.270853766e+01 2.270651546e+01 1.975887575e+00 4.551273475e+00 1.763599153e+01 -1.085842606e+00 6.276435960e+00 2.08 2.013094103e+01 -2.532994032e-01 1.309416764e+01 2.013306539e+01 2.013518975e+01 1.292602383e+00 3.264535665e+00 1.534592760e+01 -1.755760751e+00 4.965367865e+00 2.10 1.771901085e+01 -1.267920637e+00 1.112345678e+01 1.772489350e+01 1.773077615e+01 6.587158926e-01 2.076031706e+00 1.320874396e+01 -2.360851885e+00 3.742624795e+00 2.12 1.546341256e+01 -2.181458654e+00 9.294347971e+00 1.547262031e+01 1.548182805e+01 6.989960244e-02 9.816485208e-01 1.121500792e+01 -2.904269483e+00 2.602227132e+00 2.14 1.335395849e+01 -3.001354897e+00 7.598518044e+00 1.336612650e+01 1.337829452e+01 -4.765297989e-01 -2.137121742e-02 9.356325153e+00 -3.388188496e+00 1.539210541e+00 2.16 1.138157254e+01 -3.735183137e+00 6.028563226e+00 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