# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Hiremath-P-Melin-S-Bitzek-E-Olsson-P-A-T--W # implementation = 2022--Hiremath-P--W--LAMMPS--ipr2 # 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 2025-07-01 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 nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan 2.380833900e+03 nan nan nan nan 0.84 nan nan nan nan nan 2.169134287e+03 nan nan nan nan 0.86 nan nan nan nan nan 1.978687611e+03 nan nan 2.277443754e+03 nan 0.88 nan nan nan nan nan 1.807090356e+03 nan nan 2.072521734e+03 nan 0.90 nan nan nan nan nan 1.652241995e+03 nan nan 1.887423700e+03 nan 0.92 nan nan nan nan nan 1.512303213e+03 nan nan 1.720350487e+03 nan 0.94 nan nan nan nan nan 1.385660171e+03 nan nan 1.569573477e+03 nan 0.96 nan 2.664073388e+03 nan nan nan 1.270894069e+03 2.347464664e+03 nan 1.433470740e+03 2.085313816e+03 0.98 nan 2.441321482e+03 nan nan nan 1.166755090e+03 2.151023152e+03 nan 1.310545413e+03 1.910700722e+03 1.00 nan 2.239348250e+03 nan nan nan 1.072140125e+03 1.972923625e+03 nan 1.199432364e+03 1.752060587e+03 1.02 nan 2.055978045e+03 nan nan nan 9.860737301e+02 1.811067862e+03 nan 1.098897094e+03 1.607974263e+03 1.04 nan 1.888958929e+03 2.667842020e+03 nan nan 9.076917441e+02 1.661056484e+03 nan 1.007307995e+03 1.477093178e+03 1.06 2.703604017e+03 1.731846793e+03 2.461276246e+03 2.703601993e+03 2.703599969e+03 8.362272397e+02 1.522077265e+03 2.489308852e+03 9.213728534e+02 1.358157958e+03 1.08 2.499258518e+03 1.584023524e+03 2.272572505e+03 2.499256430e+03 2.499254342e+03 7.709984259e+02 1.394105536e+03 2.299482315e+03 8.412199840e+02 1.250007328e+03 1.10 2.312209936e+03 1.446463967e+03 2.099917717e+03 2.312207782e+03 2.312205627e+03 7.113981857e+02 1.276805972e+03 2.125837970e+03 7.671401948e+02 1.151580410e+03 1.12 2.140813820e+03 1.319517282e+03 1.938215172e+03 2.140811597e+03 2.140809375e+03 6.568850504e+02 1.169646830e+03 1.966827591e+03 6.991431287e+02 1.061914794e+03 1.14 1.983598837e+03 1.202687188e+03 1.785897867e+03 1.983596545e+03 1.983594252e+03 6.069753674e+02 1.071982526e+03 1.821066730e+03 6.370515219e+02 9.801419057e+02 1.16 1.839246986e+03 1.091500973e+03 1.643640935e+03 1.839244622e+03 1.839242257e+03 5.612364884e+02 9.831119739e+02 1.687315982e+03 5.805698087e+02 9.054808303e+02 1.18 1.706576249e+03 9.863091755e+02 1.511645146e+03 1.706573811e+03 1.706571372e+03 5.192808553e+02 9.023189853e+02 1.564464557e+03 5.293334361e+02 8.372313856e+02 1.20 1.584525305e+03 8.883006154e+02 1.389783743e+03 1.584522790e+03 1.584520275e+03 4.807608141e+02 8.288176240e+02 1.451515775e+03 4.829437673e+02 7.747669329e+02 1.22 1.472140081e+03 7.980517483e+02 1.277708922e+03 1.472137488e+03 1.472134895e+03 4.453640481e+02 7.606984399e+02 1.347572112e+03 4.409923045e+02 7.175272947e+02 1.24 1.368561933e+03 7.157071200e+02 1.174930930e+03 1.368559259e+03 1.368556586e+03 4.128096251e+02 6.974710864e+02 1.250675354e+03 4.030770481e+02 6.650119986e+02 1.26 1.273020085e+03 6.411164600e+02 1.080878102e+03 1.273017329e+03 1.273014573e+03 3.828455085e+02 6.391002119e+02 1.155636704e+03 3.688138252e+02 6.167753976e+02 1.28 1.182491877e+03 5.736447891e+02 9.933852912e+02 1.182489036e+03 1.182486195e+03 3.544686708e+02 5.846629936e+02 1.062750422e+03 3.372601025e+02 5.712555846e+02 1.30 1.090579934e+03 5.121075337e+02 9.079807230e+02 1.090577006e+03 1.090574078e+03 3.255508523e+02 5.320155699e+02 9.713919095e+02 3.066397978e+02 5.252117652e+02 1.32 9.994894657e+02 4.563225154e+02 8.258964900e+02 9.994864480e+02 9.994834303e+02 2.968310243e+02 4.818168111e+02 8.832967853e+02 2.773408175e+02 4.797117435e+02 1.34 9.112507255e+02 4.060519448e+02 7.482350845e+02 9.112476158e+02 9.112445062e+02 2.689895733e+02 4.346256757e+02 7.997606805e+02 2.497222632e+02 4.357420786e+02 1.36 8.272257230e+02 3.609681641e+02 6.756531995e+02 8.272225188e+02 8.272193147e+02 2.424838989e+02 3.907538140e+02 7.215728735e+02 2.239915797e+02 3.939604740e+02 1.38 7.482693708e+02 3.206923939e+02 6.084776656e+02 7.482660698e+02 7.482627687e+02 2.176021535e+02 3.503315794e+02 6.491463200e+02 2.002445651e+02 3.547755000e+02 1.40 6.748563487e+02 2.848226760e+02 5.467954646e+02 6.748529482e+02 6.748495477e+02 1.945055521e+02 3.133590373e+02 5.826187802e+02 1.784963262e+02 3.184092838e+02 1.42 6.071805403e+02 2.529536123e+02 4.905232172e+02 6.071770377e+02 6.071735351e+02 1.732615372e+02 2.797451378e+02 5.219311883e+02 1.587050620e+02 2.849465911e+02 1.44 5.452324102e+02 2.246898964e+02 4.394603533e+02 5.452288029e+02 5.452251956e+02 1.538695876e+02 2.493375193e+02 4.668878155e+02 1.407902067e+02 2.543729719e+02 1.46 4.888588671e+02 1.996552123e+02 3.933294708e+02 4.888551524e+02 4.888514378e+02 1.362811872e+02 2.219449871e+02 4.172021625e+02 1.246461780e+02 2.266042351e+02 1.48 4.378092958e+02 1.774977157e+02 3.518066956e+02 4.378054710e+02 4.378016462e+02 1.204151815e+02 1.973542915e+02 3.725315993e+02 1.101526796e+02 2.015090822e+02 1.50 3.917705682e+02 1.578930086e+02 3.145441814e+02 3.917666305e+02 3.917626929e+02 1.061694590e+02 1.753424497e+02 3.325031884e+02 9.718229724e+01 1.789262953e+02 1.52 3.503934142e+02 1.405453215e+02 2.811865326e+02 3.503893609e+02 3.503853075e+02 9.342975108e+01 1.556856356e+02 2.967326400e+02 8.560601015e+01 1.586776615e+02 1.54 3.133120083e+02 1.251874387e+02 2.513825284e+02 3.133078365e+02 3.133036646e+02 8.207616850e+01 1.381654298e+02 2.648379376e+02 7.529705416e+01 1.405775509e+02 1.56 2.801582471e+02 1.115797677e+02 2.247932349e+02 2.801539539e+02 2.801496606e+02 7.198796821e+01 1.225730374e+02 2.364488602e+02 6.613354961e+01 1.244398813e+02 1.58 2.505719153e+02 9.950885421e+01 2.010973723e+02 2.505674977e+02 2.505630801e+02 6.304694820e+01 1.087119250e+02 2.112133659e+02 5.800026845e+01 1.100830593e+02 1.60 2.242076789e+02 8.878556444e+01 1.799946128e+02 2.242031341e+02 2.241985892e+02 5.513978418e+01 9.639936862e+01 1.888015994e+02 5.078970653e+01 9.733336157e+01 1.62 2.007396554e+02 7.924309769e+01 1.612073397e+02 2.007349803e+02 2.007303052e+02 4.815955894e+01 8.546721560e+01 1.689081212e+02 4.440263260e+01 8.602708338e+01 1.64 1.798641398e+02 7.073494324e+01 1.444812753e+02 1.798593315e+02 1.798545231e+02 4.200667793e+01 7.576202774e+01 1.512528152e+02 3.874825351e+01 7.601173222e+01 1.66 1.613009753e+02 6.313286269e+01 1.295853013e+02 1.612960306e+02 1.612910859e+02 3.658932957e+01 6.714479053e+01 1.355808667e+02 3.374410785e+01 6.714666673e+01 1.68 1.447939215e+02 5.632495149e+01 1.163107172e+02 1.447888374e+02 1.447837533e+02 3.182361073e+01 5.949032405e+01 1.216620693e+02 2.931577132e+01 5.930327463e+01 1.70 1.301102940e+02 5.021381398e+01 1.044701169e+02 1.301050675e+02 1.300998409e+02 2.763340888e+01 5.268649703e+01 1.092896849e+02 2.539643563e+01 5.236478662e+01 1.72 1.170401081e+02 4.471487357e+01 9.389603528e+01 1.170347360e+02 1.170293639e+02 2.395011902e+01 4.663332934e+01 9.827901051e+01 2.192641280e+01 4.622584291e+01 1.74 1.053948831e+02 3.975482592e+01 8.443946356e+01 1.053893623e+02 1.053838415e+02 2.071224751e+01 4.124203472e+01 8.846578485e+01 1.885259781e+01 4.079189058e+01 1.76 9.500623744e+01 3.527023747e+01 7.596831071e+01 9.500056482e+01 9.499489219e+01 1.786494597e+01 3.643404928e+01 7.970451287e+01 1.612791610e+01 3.597847652e+01 1.78 8.572437888e+01 3.120628769e+01 6.836587398e+01 8.571855129e+01 8.571272370e+01 1.535951005e+01 3.214007663e+01 7.186679012e+01 1.371077694e+01 3.171048808e+01 1.80 7.741654754e+01 2.751564699e+01 6.152934910e+01 7.741056185e+01 7.740457616e+01 1.315286272e+01 2.829916766e+01 6.483965833e+01 1.156454276e+01 2.792137084e+01 1.82 6.996547271e+01 2.415748251e+01 5.536841229e+01 6.995932579e+01 6.995317887e+01 1.120704179e+01 2.485783425e+01 5.852403653e+01 9.657025078e+00 2.455235324e+01 1.84 6.326787941e+01 2.109658184e+01 4.980389127e+01 6.326156814e+01 6.325525686e+01 9.488704113e+00 2.176912383e+01 5.283324154e+01 7.960010920e+00 2.155169639e+01 1.86 5.723306203e+01 1.830253947e+01 4.476652984e+01 5.722658329e+01 5.722010455e+01 7.968652057e+00 1.899181926e+01 4.769161295e+01 6.448767236e+00 1.887397777e+01 1.88 5.178154942e+01 1.574888020e+01 4.019585596e+01 5.177490013e+01 5.176825085e+01 6.621390394e+00 1.648979786e+01 4.303324791e+01 5.101544214e+00 1.647942083e+01 1.90 4.684386604e+01 1.341242669e+01 3.603915085e+01 4.683704316e+01 4.683022028e+01 5.424715182e+00 1.423145025e+01 3.880084789e+01 3.899226882e+00 1.433327280e+01 1.92 4.235939158e+01 1.127286677e+01 3.225051537e+01 4.235239208e+01 4.234539258e+01 4.359335389e+00 1.218915098e+01 3.494467396e+01 2.825041166e+00 1.240523197e+01 1.94 3.827532429e+01 9.312378873e+00 2.879003289e+01 3.826814520e+01 3.826096612e+01 3.408529081e+00 1.033878153e+01 3.142160799e+01 1.864286521e+00 1.066892707e+01 1.96 3.454574100e+01 7.515304465e+00 2.562301659e+01 3.453837943e+01 3.453101785e+01 2.557831767e+00 8.659301478e+00 2.819431329e+01 1.004093220e+00 9.101445053e+00 1.98 3.113075138e+01 5.867862536e+00 2.271925761e+01 3.112320446e+01 3.111565753e+01 1.794756112e+00 7.132365363e+00 2.523048718e+01 2.332037440e-01 7.682906249e+00 2.00 2.799574256e+01 4.357901530e+00 2.005230475e+01 2.798800751e+01 2.798027247e+01 1.108541767e+00 5.741982612e+00 2.250220054e+01 -4.582227134e-01 6.396084837e+00 2.02 2.511070489e+01 2.974682953e+00 1.759896771e+01 2.510277904e+01 2.509485318e+01 4.899321765e-01 4.474215825e+00 1.998531405e+01 -1.078785145e+00 5.226070020e+00 2.04 2.244963500e+01 1.708636709e+00 1.533890870e+01 2.244151574e+01 2.243339648e+01 -6.902287869e-02 3.316915079e+00 1.765896664e+01 -1.635995949e+00 4.159965964e+00 2.06 1.999000891e+01 5.510549579e-01 1.325428155e+01 1.998169378e+01 1.997337864e+01 -5.751413847e-01 2.259484328e+00 1.550512705e+01 -2.136418255e+00 3.186626942e+00 2.08 1.771231766e+01 -5.060464150e-01 1.132941281e+01 1.770380428e+01 1.769529091e+01 -1.034262432e+00 1.292676369e+00 1.350820308e+01 -2.585787334e+00 2.296423829e+00 2.10 1.559966087e+01 -1.469998281e+00 9.550522079e+00 1.559094703e+01 1.558223320e+01 -1.451380216e+00 4.084138902e-01 1.165470144e+01 -2.989117153e+00 1.481039894e+00 2.12 1.363739136e+01 -2.347540740e+00 7.905476752e+00 1.362847501e+01 1.361955865e+01 -1.830761068e+00 -4.003666485e-01 9.932933208e+00 -3.350793910e+00 7.332921101e-01 2.14 1.181280516e+01 -3.144878958e+00 6.383577452e+00 1.180368439e+01 1.179456361e+01 -2.176045370e+00 -1.139855377e+00 8.332758591e+00 -3.674657912e+00 4.697518617e-02 2.16 1.011487259e+01 -3.867732964e+00 4.975371300e+00 1.010554568e+01 1.009621876e+01 -2.490335759e+00 -1.815522510e+00 6.845367105e+00 -3.964074904e+00 -5.832737889e-01 2.18 8.534004799e+00 -4.521382163e+00 3.672489189e+00 8.524470237e+00 8.514935675e+00 -2.776273531e+00 -2.432240602e+00 5.463088000e+00 -4.221998281e+00 -1.162092943e+00 2.20 7.061851982e+00 -5.110705072e+00 2.467504513e+00 7.052108479e+00 7.042364976e+00 -3.036104488e+00 -2.994361053e+00 4.179214961e+00 -4.451023143e+00 -1.693497344e+00 2.22 5.691129371e+00 -5.640214818e+00 1.353810820e+00 5.681175876e+00 5.671222382e+00 -3.271735507e+00 -3.505778527e+00 2.987745729e+00 -4.653433154e+00 -2.180966749e+00 2.24 4.415467102e+00 -6.114090908e+00 3.255156738e-01 4.405302827e+00 4.395138552e+00 -3.484783142e+00 -3.969987061e+00 1.883178048e+00 -4.831241225e+00 -2.627521381e+00 2.26 3.229278188e+00 -6.536208056e+00 -6.226530814e-01 3.218902629e+00 3.208527069e+00 -3.676616172e+00 -4.390129795e+00 8.604452032e-01 -4.986225456e+00 -3.035788603e+00 2.28 2.127548473e+00 -6.910174093e+00 -1.495492775e+00 2.116961434e+00 2.106374396e+00 -3.848424137e+00 -4.769074393e+00 -8.516247367e-02 -5.119984387e+00 -3.408108541e+00 2.30 1.105564247e+00 -7.239375050e+00 -2.297512637e+00 1.094765869e+00 1.083967490e+00 -4.001306628e+00 -5.109508929e+00 -9.580964641e-01 -5.234007653e+00 -3.746670833e+00 2.32 1.588478920e-01 -7.526993644e+00 -3.032981565e+00 1.478386760e-01 1.368294601e-01 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