# 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 = 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 2022-12-14 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 7.389612534e+03 nan 0.72 nan nan nan nan nan nan nan nan 6.481235547e+03 nan 0.74 nan nan nan nan nan nan nan nan 5.704848691e+03 nan 0.76 nan nan nan nan nan 4.429626119e+03 nan nan 5.039489783e+03 nan 0.78 nan nan nan nan nan 3.939257649e+03 nan nan 4.466519478e+03 nan 0.80 nan nan nan nan nan 3.514260807e+03 nan nan 3.970836956e+03 nan 0.82 nan nan nan nan nan 3.144269853e+03 nan nan 3.529195313e+03 nan 0.84 nan nan nan nan nan 2.819904140e+03 nan nan 3.128041482e+03 nan 0.86 nan 4.253334974e+03 nan 7.114900581e+03 7.115085396e+03 2.534443580e+03 nan nan 2.780226804e+03 4.275556645e+03 0.88 nan 3.802101000e+03 nan 6.433461700e+03 6.434345816e+03 2.282953978e+03 3.873410817e+03 nan 2.477661184e+03 3.838229863e+03 0.90 nan 3.390200167e+03 nan 5.829052994e+03 5.830271746e+03 2.060632823e+03 3.475844378e+03 nan 2.213401268e+03 3.454741721e+03 0.92 nan 2.991927603e+03 nan 5.291640594e+03 5.292805256e+03 1.863520289e+03 3.126882220e+03 nan 1.982107333e+03 3.117624368e+03 0.94 nan 2.645807583e+03 nan 4.811659680e+03 4.812680902e+03 1.688514845e+03 2.819933518e+03 nan 1.778776555e+03 2.819295880e+03 0.96 nan 2.344819715e+03 3.766541073e+03 4.382042743e+03 4.382821454e+03 1.532556978e+03 2.533730106e+03 4.015246624e+03 1.599549730e+03 2.554405181e+03 0.98 3.996513082e+03 2.082805943e+03 3.408596612e+03 3.997036289e+03 3.997463350e+03 1.393021278e+03 2.279282442e+03 3.627439296e+03 1.441332318e+03 2.318409066e+03 1.00 3.651344033e+03 1.854035148e+03 3.089850715e+03 3.651458339e+03 3.651438767e+03 1.267808276e+03 2.054053940e+03 3.251225835e+03 1.301271160e+03 2.107415803e+03 1.02 3.245381223e+03 1.641882738e+03 2.742098569e+03 3.244856548e+03 3.244266516e+03 1.123160904e+03 1.822287796e+03 2.887077071e+03 1.152767529e+03 1.870573901e+03 1.04 2.888429543e+03 1.456311519e+03 2.437546476e+03 2.887498057e+03 2.886534599e+03 9.961275595e+02 1.619238154e+03 2.567310908e+03 1.022532553e+03 1.662463906e+03 1.06 2.574247450e+03 1.293692720e+03 2.171531583e+03 2.573392750e+03 2.572490296e+03 8.850454989e+02 1.441214958e+03 2.286227311e+03 9.081755351e+02 1.479589493e+03 1.08 2.297337447e+03 1.151327966e+03 1.937769048e+03 2.296690048e+03 2.296001848e+03 7.873010002e+02 1.284575716e+03 2.038763002e+03 8.076085245e+02 1.318805036e+03 1.10 2.052919489e+03 1.026397136e+03 1.731703987e+03 2.052549280e+03 2.052180753e+03 7.010471144e+02 1.146454255e+03 1.820605557e+03 7.190293180e+02 1.177106667e+03 1.12 1.836899248e+03 9.166067467e+02 1.549835641e+03 1.836894042e+03 1.836925584e+03 6.249090564e+02 1.024431994e+03 1.628351437e+03 6.409467360e+02 1.051916777e+03 1.14 1.645793662e+03 8.200677943e+02 1.389151904e+03 1.646172925e+03 1.646595286e+03 5.577108249e+02 9.165076730e+02 1.458676203e+03 5.720153252e+02 9.411773906e+02 1.16 1.477040274e+03 7.350380563e+02 1.246979378e+03 1.477686215e+03 1.478352689e+03 4.983613093e+02 8.209139044e+02 1.309320805e+03 5.109694329e+02 8.433212309e+02 1.18 1.328499407e+03 6.600286083e+02 1.120926759e+03 1.329168751e+03 1.329835742e+03 4.458352884e+02 7.361344929e+02 1.177148807e+03 4.568606209e+02 7.570220067e+02 1.20 1.196694016e+03 5.935640194e+02 1.008928645e+03 1.197291817e+03 1.197876620e+03 3.992391737e+02 6.609201908e+02 1.059901293e+03 4.088809349e+02 6.804368337e+02 1.22 1.079463998e+03 5.344557686e+02 9.092239060e+02 1.079945432e+03 1.080416049e+03 3.578128799e+02 5.941545226e+02 9.556731368e+02 3.662647460e+02 6.121823760e+02 1.24 9.750183387e+02 4.817215146e+02 8.207724169e+02 9.753921026e+02 9.757678202e+02 3.213472921e+02 5.349841057e+02 8.628680061e+02 3.285134736e+02 5.511789284e+02 1.26 8.818202501e+02 4.345345045e+02 7.418208158e+02 8.820620077e+02 8.823214363e+02 2.888269737e+02 4.822584337e+02 7.801287866e+02 2.948889133e+02 4.965763171e+02 1.28 7.985442316e+02 3.921834182e+02 6.711208606e+02 7.986224338e+02 7.987280664e+02 2.596494178e+02 4.351466614e+02 7.062710533e+02 2.647949339e+02 4.476644111e+02 1.30 7.240578431e+02 3.540712187e+02 6.077892531e+02 7.239595948e+02 7.238832924e+02 2.334576473e+02 3.929089758e+02 6.402121337e+02 2.378305696e+02 4.038528076e+02 1.32 6.573698643e+02 3.197166494e+02 5.510357976e+02 6.570922123e+02 6.568205639e+02 2.099369557e+02 3.549480943e+02 5.809749299e+02 2.136598845e+02 3.646204239e+02 1.34 5.975163965e+02 2.886789371e+02 5.001477236e+02 5.970937241e+02 5.966608829e+02 1.888293317e+02 3.207893988e+02 5.277156092e+02 1.920040748e+02 3.294428796e+02 1.36 5.436043928e+02 2.605923211e+02 4.545201692e+02 5.431252339e+02 5.426249093e+02 1.699216865e+02 2.900285233e+02 4.797000005e+02 1.728033481e+02 2.978248233e+02 1.38 4.948752942e+02 2.351972941e+02 4.136049243e+02 4.944527407e+02 4.940034222e+02 1.530090658e+02 2.625317148e+02 4.362390232e+02 1.555092334e+02 2.693476063e+02 1.40 4.507069278e+02 2.122846059e+02 3.767874739e+02 4.504187635e+02 4.501044756e+02 1.378346785e+02 2.377777178e+02 3.968380019e+02 1.399033319e+02 2.436592490e+02 1.42 4.106938444e+02 1.916268923e+02 3.434817936e+02 4.105670990e+02 4.104223208e+02 1.241432869e+02 2.153484124e+02 3.611631006e+02 1.257896040e+02 2.206295911e+02 1.44 3.745131804e+02 1.729718097e+02 3.132108677e+02 3.745396106e+02 3.745607411e+02 1.117298901e+02 1.950048244e+02 3.289303662e+02 1.130063541e+02 2.001506262e+02 1.46 3.416135005e+02 1.560873625e+02 2.856053062e+02 3.417715047e+02 3.419362676e+02 1.004575146e+02 1.765400710e+02 2.997204263e+02 1.014152489e+02 1.815876052e+02 1.48 3.117228498e+02 1.407669178e+02 2.603449696e+02 3.119789419e+02 3.122491654e+02 9.018041807e+01 1.597708241e+02 2.732671786e+02 9.091462443e+01 1.647584490e+02 1.50 2.846205959e+02 1.268291112e+02 2.371829330e+02 2.849302471e+02 2.852568681e+02 8.079421768e+01 1.445333902e+02 2.493200974e+02 8.138257656e+01 1.495074490e+02 1.52 2.600937951e+02 1.141187190e+02 2.159251660e+02 2.604085648e+02 2.607393252e+02 7.222455503e+01 1.306803170e+02 2.275905057e+02 7.271147008e+01 1.356880108e+02 1.54 2.378420098e+02 1.025122827e+02 1.964039362e+02 2.381248431e+02 2.384193235e+02 6.440476648e+01 1.180784778e+02 2.077990164e+02 6.481481312e+01 1.231298830e+02 1.56 2.175661887e+02 9.190124072e+01 1.784841349e+02 2.177944512e+02 2.180276172e+02 5.728622905e+01 1.066040944e+02 1.897034142e+02 5.762201642e+01 1.116737315e+02 1.58 1.990103736e+02 8.218965196e+01 1.620621705e+02 1.991730738e+02 1.993337589e+02 5.083933753e+01 9.614449262e+01 1.731193987e+02 5.108021710e+01 1.011812469e+02 1.60 1.819975415e+02 7.333429223e+01 1.470594577e+02 1.820891696e+02 1.821747363e+02 4.504576223e+01 8.660807209e+01 1.578899653e+02 4.514512724e+01 9.155060685e+01 1.62 1.663692695e+02 6.528580936e+01 1.333835769e+02 1.663908680e+02 1.664057735e+02 3.986405492e+01 7.807658961e+01 1.438713620e+02 3.976612590e+01 8.272392091e+01 1.64 1.519765335e+02 5.805592070e+01 1.209078286e+02 1.519355247e+02 1.518893134e+02 3.521649678e+01 7.027375685e+01 1.309448362e+02 3.496119131e+01 7.461825287e+01 1.66 1.386964246e+02 5.161621646e+01 1.095083419e+02 1.386034527e+02 1.385076344e+02 3.102803607e+01 6.311183644e+01 1.190072021e+02 3.060863407e+01 6.715678667e+01 1.68 1.264193742e+02 4.575102499e+01 9.908172885e+01 1.262883907e+02 1.261565028e+02 2.724174431e+01 5.653200780e+01 1.079671406e+02 2.663086845e+01 6.027076303e+01 1.70 1.150459964e+02 4.041976463e+01 8.954286794e+01 1.148930535e+02 1.147402992e+02 2.381962015e+01 5.048654538e+01 9.774697753e+01 2.300395108e+01 5.389789174e+01 1.72 1.044904218e+02 3.558622019e+01 8.080335995e+01 1.043303766e+02 1.041712440e+02 2.072202732e+01 4.493170407e+01 8.828043639e+01 1.971319826e+01 4.798884946e+01 1.74 9.468718121e+01 3.121525044e+01 7.290187297e+01 9.453308911e+01 9.438044785e+01 1.791418506e+01 3.983481534e+01 7.951922994e+01 1.674683566e+01 4.251683212e+01 1.76 8.558225690e+01 2.727099483e+01 6.580311628e+01 8.544537344e+01 8.531011141e+01 1.536820963e+01 3.517446774e+01 7.145814209e+01 1.409230005e+01 3.745874095e+01 1.78 7.713973345e+01 2.372030983e+01 5.930008684e+01 7.702846922e+01 7.691856460e+01 1.305874242e+01 3.093379784e+01 6.406942166e+01 1.171871263e+01 3.279561674e+01 1.80 6.936525800e+01 2.064568875e+01 5.333859121e+01 6.928467513e+01 6.920487149e+01 1.096362345e+01 2.709100130e+01 5.731322727e+01 9.591703024e+00 2.851885672e+01 1.82 6.223667865e+01 1.795460541e+01 4.787342968e+01 6.218916524e+01 6.214172945e+01 9.064885526e+00 2.360333555e+01 5.115242071e+01 7.677747379e+00 2.462889825e+01 1.84 5.573140246e+01 1.551953247e+01 4.286355822e+01 5.571613712e+01 5.570036174e+01 7.345881540e+00 2.042696279e+01 4.555656567e+01 5.951486284e+00 2.112984550e+01 1.86 4.982514000e+01 1.331741990e+01 3.827074166e+01 4.983818100e+01 4.985040126e+01 5.791176627e+00 1.752185374e+01 4.049074981e+01 4.394229467e+00 1.801732582e+01 1.88 4.447226085e+01 1.132426166e+01 3.406121493e+01 4.450790188e+01 4.454263083e+01 4.388389370e+00 1.486063131e+01 3.590785551e+01 2.989439570e+00 1.525276303e+01 1.90 3.962007594e+01 9.516266893e+00 3.020448348e+01 3.967202337e+01 3.972308762e+01 3.126818218e+00 1.246970193e+01 3.176050474e+01 1.722988700e+00 1.279000909e+01 1.92 3.521575298e+01 7.870738816e+00 2.667495610e+01 3.527852604e+01 3.534053178e+01 1.998172526e+00 1.029177792e+01 2.800375630e+01 5.836149505e-01 1.058229721e+01 1.94 3.121474907e+01 6.366593594e+00 2.344961783e+01 3.128380383e+01 3.135228738e+01 9.952091741e-01 8.293082034e+00 2.459942785e+01 -4.391391794e-01 8.595694784e+00 1.96 2.757994840e+01 4.984863417e+00 2.050725182e+01 2.765176823e+01 2.772327327e+01 1.115049258e-01 6.465634730e+00 2.175418691e+01 -1.354950828e+00 6.807925611e+00 1.98 2.427668281e+01 3.709290909e+00 1.782733037e+01 2.434879927e+01 2.442088755e+01 -6.596215347e-01 4.801347551e+00 1.915437621e+01 -2.171706596e+00 5.198189066e+00 2.00 2.127760467e+01 2.529203535e+00 1.538765485e+01 2.134786223e+01 2.141834105e+01 -1.327806185e+00 3.291860160e+00 1.677703341e+01 -2.896578124e+00 3.749421996e+00 2.02 1.890800643e+01 1.479455900e+00 1.339928676e+01 1.897450646e+01 1.904136151e+01 -1.786645917e+00 2.045559368e+00 1.472125161e+01 -3.449872569e+00 2.623154675e+00 2.04 1.672450875e+01 4.996149981e-01 1.156120330e+01 1.678555511e+01 1.684697311e+01 -2.186001125e+00 9.157015916e-01 1.283109713e+01 -3.943371128e+00 1.596977874e+00 2.06 1.471215336e+01 -4.158768843e-01 9.858273218e+00 1.476623855e+01 1.482062999e+01 -2.533052329e+00 -1.014841230e-01 1.109332365e+01 -4.380054773e+00 6.625999666e-01 2.08 1.285755766e+01 -1.267721149e+00 8.276821756e+00 1.290338426e+01 1.294941129e+01 -2.834497626e+00 -1.008350359e+00 9.495162904e+00 -4.760757166e+00 -1.872859707e-01 2.10 1.114824522e+01 -2.054553653e+00 6.805275288e+00 1.118466565e+01 1.122118244e+01 -3.096677834e+00 -1.807841733e+00 8.025526478e+00 -5.085759275e+00 -9.594227156e-01 2.12 9.573711469e+00 -2.774226695e+00 5.438055284e+00 9.599779666e+00 9.625878642e+00 -3.323977553e+00 -2.509667777e+00 6.673634514e+00 -5.354331898e+00 -1.659806761e+00 2.14 8.122904698e+00 -3.425917153e+00 4.170542983e+00 8.138321668e+00 8.153743481e+00 -3.519940010e+00 -3.124997446e+00 5.429008984e+00 -5.568044449e+00 -2.294464375e+00 2.16 6.785501337e+00 -4.018338067e+00 2.997911224e+00 6.790698098e+00 6.795894878e+00 -3.688053540e+00 -3.664630409e+00 4.282104102e+00 -5.733270086e+00 -2.867994749e+00 2.18 5.552142970e+00 -4.561332964e+00 1.915484712e+00 5.548175997e+00 5.544209023e+00 -3.831846377e+00 -4.138292208e+00 3.223497017e+00 -5.858073119e+00 -3.384140793e+00 2.20 4.413885372e+00 -5.063147048e+00 9.215015612e-01 4.402388807e+00 4.390892243e+00 -3.954802558e+00 -4.552454306e+00 2.244417123e+00 -5.950925664e+00 -3.846275891e+00 2.22 3.362431585e+00 -5.531312237e+00 1.494895116e-02 3.345289568e+00 3.328147552e+00 -4.060789228e+00 -4.914252851e+00 1.336804960e+00 -6.019202649e+00 -4.257440461e+00 2.24 2.390371133e+00 -5.969209403e+00 -8.057525053e-01 2.369275392e+00 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