# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = NiW3 # 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 2024-04-11 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 4.178189864e+02 nan nan 1.16 3.817942488e+02 nan nan 1.18 3.489138703e+02 nan nan 1.20 3.188724401e+02 nan nan 1.22 2.913993522e+02 nan nan 1.24 2.662510433e+02 nan nan 1.26 2.432063665e+02 nan nan 1.28 2.220666909e+02 3.569927189e+02 4.150541573e+02 1.30 2.026575601e+02 3.285805854e+02 3.828713348e+02 1.32 1.848286346e+02 3.024534430e+02 3.531864445e+02 1.34 1.684509592e+02 2.784056585e+02 3.257707521e+02 1.36 1.534125005e+02 2.562431256e+02 3.004245126e+02 1.38 1.396134987e+02 2.357864223e+02 2.769777470e+02 1.40 1.269624688e+02 2.168749757e+02 2.552854188e+02 1.42 1.153730196e+02 1.993699224e+02 2.352199872e+02 1.44 1.047617660e+02 1.831538939e+02 2.166651373e+02 1.46 9.504759320e+01 1.681277064e+02 1.995123124e+02 1.48 8.615214078e+01 1.542056598e+02 1.836592055e+02 1.50 7.800108940e+01 1.413114782e+02 1.690088378e+02 1.52 7.052571216e+01 1.293759466e+02 1.554688317e+02 1.54 6.366416684e+01 1.183359666e+02 1.429511838e+02 1.56 5.736221152e+01 1.081340313e+02 1.313727399e+02 1.58 5.157327916e+01 9.871739664e+01 1.206562121e+02 1.60 4.625793478e+01 9.003692927e+01 1.107312895e+02 1.62 4.138273297e+01 8.204595637e+01 1.015352489e+02 1.64 3.691858603e+01 7.469933559e+01 9.301266377e+01 1.66 3.283896288e+01 6.795279632e+01 8.511428438e+01 1.68 2.911838364e+01 6.176256771e+01 7.779558990e+01 1.70 2.573155276e+01 5.608530082e+01 7.101560938e+01 1.72 2.265314125e+01 5.087824770e+01 6.473636616e+01 1.74 1.985798979e+01 4.609964164e+01 5.892287708e+01 1.76 1.732320258e+01 4.170924371e+01 5.354332000e+01 1.78 1.502608128e+01 3.766902644e+01 4.856898822e+01 1.80 1.294366403e+01 3.394393638e+01 4.397390023e+01 1.82 1.105405891e+01 3.050263230e+01 3.973417376e+01 1.84 9.336571008e+00 2.731804713e+01 3.582736451e+01 1.86 7.771920419e+00 2.436760121e+01 3.223192738e+01 1.88 6.342566450e+00 2.163295729e+01 2.892685211e+01 1.90 5.033043861e+00 1.909962848e+01 2.589143640e+01 1.92 3.830163162e+00 1.675709224e+01 2.310513965e+01 1.94 2.722991121e+00 1.459519303e+01 2.054750158e+01 1.96 1.702632043e+00 1.260417933e+01 1.819852502e+01 1.98 7.618993012e-01 1.077460428e+01 1.603990465e+01 2.00 -1.050373252e-01 9.097001483e+00 1.405246118e+01 2.02 -9.029871528e-01 7.561729702e+00 1.221800416e+01 2.04 -1.636045291e+00 6.158933160e+00 1.052019770e+01 2.06 -2.307858310e+00 4.878571214e+00 8.945063783e+00 2.08 -2.921830225e+00 3.710507473e+00 7.481200218e+00 2.10 -3.481257337e+00 2.644663530e+00 6.119681926e+00 2.12 -3.989396514e+00 1.671236296e+00 4.853694589e+00 2.14 -4.449483541e+00 7.809563258e-01 3.678020594e+00 2.16 -4.864721348e+00 -3.465893739e-02 2.588500972e+00 2.18 -5.238254325e+00 -7.831126591e-01 1.581562575e+00 2.20 -5.573138825e+00 -1.470839671e+00 6.538569192e-01 2.22 -5.872314123e+00 -2.103233579e+00 -1.979773352e-01 2.24 -6.138574459e+00 -2.684769712e+00 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-7.405438156e+00 -6.919841983e+00 2.62 -7.218093575e+00 -7.459623833e+00 -7.005651027e+00 2.64 -7.114995030e+00 -7.499960863e+00 -7.079631175e+00 2.66 -6.996727163e+00 -7.527316962e+00 -7.142974596e+00 2.68 -6.863729106e+00 -7.542516663e+00 -7.196700865e+00 2.70 -6.716603523e+00 -7.546323551e+00 -7.241669565e+00 2.72 -6.556151355e+00 -7.539045314e+00 -7.278617201e+00 2.74 -6.383411994e+00 -7.520757787e+00 -7.308187969e+00 2.76 -6.199626945e+00 -7.491558281e+00 -7.330956047e+00 2.78 -6.006155270e+00 -7.451452805e+00 -7.347398632e+00 2.80 -5.804638688e+00 -7.400524237e+00 -7.357448065e+00 2.82 -5.596981343e+00 -7.338942037e+00 -7.360765763e+00 2.84 -5.385261028e+00 -7.266947407e+00 -7.357122133e+00 2.86 -5.171612220e+00 -7.184845653e+00 -7.346366267e+00 2.88 -4.958095037e+00 -7.093009645e+00 -7.328394221e+00 2.90 -4.746568910e+00 -6.991889763e+00 -7.303123578e+00 2.92 -4.538589978e+00 -6.882021405e+00 -7.270474012e+00 2.94 -4.335346849e+00 -6.764029411e+00 -7.230352916e+00 2.96 -4.137641728e+00 -6.638624614e+00 -7.182645323e+00 2.98 -3.945915386e+00 -6.506474785e+00 -7.127212921e+00 3.00 -3.760307208e+00 -6.368112892e+00 -7.063895137e+00 3.02 -3.580737071e+00 -6.224138056e+00 -6.992514315e+00 3.04 -3.406994349e+00 -6.075200885e+00 -6.912884392e+00 3.06 -3.238820592e+00 -5.921957759e+00 -6.824821967e+00 3.08 -3.075975495e+00 -5.765026428e+00 -6.728148546e+00 3.10 -2.918279918e+00 -5.604948164e+00 -6.622589547e+00 3.12 -2.765634178e+00 -5.442160717e+00 -6.507837150e+00 3.14 -2.618013961e+00 -5.276984468e+00 -6.383644885e+00 3.16 -2.475449510e+00 -5.109622138e+00 -6.249831577e+00 3.18 -2.337995594e+00 -4.940170692e+00 -6.106282330e+00 3.20 -2.205700071e+00 -4.768642963e+00 -5.952949463e+00 3.22 -2.078577688e+00 -4.594996180e+00 -5.789854984e+00 3.24 -1.956593500e+00 -4.419164718e+00 -5.617096369e+00 3.26 -1.839657661e+00 -4.241094835e+00 -5.434857192e+00 3.28 -1.727630926e+00 -4.060779561e+00 -5.243423413e+00 3.30 -1.620338422e+00 -3.878292161e+00 -5.043205119e+00 3.32 -1.517588305e+00 -3.693816584e+00 -4.834762224e+00 3.34 -1.419191748e+00 -3.507673104e+00 -4.618831387e+00 3.36 -1.324981097e+00 -3.320337077e+00 -4.396350278e+00 3.38 -1.234823794e+00 -3.132448588e+00 -4.168474618e+00 3.40 -1.148630555e+00 -2.944810884e+00 -3.936583258e+00 3.42 -1.066357211e+00 -2.758376033e+00 -3.702267157e+00 3.44 -9.880004673e-01 -2.574217314e+00 -3.467299576e+00 3.46 -9.135885185e-01 -2.393489277e+00 -3.233587015e+00 3.48 -8.431680298e-01 -2.217378033e+00 -3.003103132e+00 3.50 -7.767892733e-01 -2.047045843e+00 -2.777810598e+00 3.52 -7.144912910e-01 -1.883575113e+00 -2.559578035e+00 3.54 -6.562887714e-01 -1.727917153e+00 -2.350100243e+00 3.56 -6.021619340e-01 -1.580850543e+00 -2.150829703e+00 3.58 -5.520501948e-01 -1.442952612e+00 -1.962925728e+00 3.60 -5.058498207e-01 -1.314585765e+00 -1.787225116e+00 3.62 -4.634152773e-01 -1.195898541e+00 -1.624235220e+00 3.64 -4.245636029e-01 -1.086839606e+00 -1.474147587e+00 3.66 -3.890809256e-01 -9.871817886e-01 -1.336868267e+00 3.68 -3.567302091e-01 -8.965526919e-01 -1.212059727e+00 3.70 -3.272593895e-01 -8.144684440e-01 -1.099189045e+00 3.72 -3.004090755e-01 -7.403675652e-01 -9.975775694e-01 3.74 -2.759199879e-01 -6.736426053e-01 -9.064481975e-01 3.76 -2.535393213e-01 -6.136679354e-01 -8.249675887e-01 3.78 -2.330255006e-01 -5.598227634e-01 -7.522817749e-01 3.80 -2.141524482e-01 -5.115090006e-01 -6.875446056e-01 3.82 -1.967129750e-01 -4.681640238e-01 -6.299391927e-01 3.84 -1.805214448e-01 -4.292686739e-01 -5.786930068e-01 3.86 -1.654158282e-01 -3.943510490e-01 -5.330875392e-01 3.88 -1.512591908e-01 -3.629868035e-01 -4.924635414e-01 3.90 -1.379405738e-01 -3.347967871e-01 -4.562228306e-01 3.92 -1.253751335e-01 -3.094429205e-01 -4.238275525e-01 3.94 -1.135033505e-01 -2.866231907e-01 -3.947976664e-01 3.96 -1.022891172e-01 -2.660665446e-01 -3.687072702e-01 3.98 -9.171658822e-02 -2.475282665e-01 -3.451802546e-01 4.00 -8.178583430e-02 -2.307861802e-01 -3.238856491e-01 4.02 -7.250755237e-02 -2.156377772e-01 -3.045329275e-01 4.04 -6.389729676e-02 -2.018981786e-01 -2.868674555e-01 4.06 -5.596984423e-02 -1.893987317e-01 -2.706662038e-01 4.08 -4.873433248e-02 -1.779860066e-01 -2.557338003e-01 4.10 -4.219069350e-02 -1.675209051e-01 -2.418989629e-01 4.12 -3.632767946e-02 -1.578779087e-01 -2.290113366e-01 4.14 -3.112250136e-02 -1.489447144e-01 -2.169387346e-01 4.16 -2.654180708e-02 -1.406209562e-01 -2.055645992e-01 4.18 -2.254299943e-02 -1.328171931e-01 -1.947864207e-01 4.20 -1.907858349e-02 -1.254547751e-01 -1.845141143e-01 4.22 -1.609783670e-02 -1.184646398e-01 -1.746685704e-01 4.24 -1.354877502e-02 -1.117866192e-01 -1.651808505e-01 4.26 -1.138030085e-02 -1.053690027e-01 -1.559916977e-01 4.28 -9.543809726e-03 -9.916823159e-02 -1.470513389e-01 4.30 -7.994269508e-03 -9.314872972e-02 -1.383195337e-01 4.32 -6.690839096e-03 -8.728284862e-02 -1.297658022e-01 4.34 -5.597118582e-03 -8.155087645e-02 -1.213697375e-01 4.36 -4.681126301e-03 -7.594103790e-02 -1.131212799e-01 4.38 -3.915089633e-03 -7.044939230e-02 -1.050208092e-01 4.40 -3.275121066e-03 -6.507952940e-02 -9.707890205e-02 4.42 -2.740834895e-03 -5.984196957e-02 -8.931561713e-02 4.44 -2.294944055e-03 -5.475320172e-02 -8.175920795e-02 4.46 -1.922864144e-03 -4.983433866e-02 -7.444423787e-02 4.48 -1.612341291e-03 -4.510943083e-02 -6.740916065e-02 4.50 -1.353113061e-03 -4.060354463e-02 -6.069352951e-02 4.52 -1.136606440e-03 -3.634076674e-02 -5.433507914e-02 4.54 -9.556734590e-04 -3.234232615e-02 -4.836697149e-02 4.56 -8.043626538e-04 -2.862501888e-02 -4.281548397e-02 4.58 -6.777236491e-04 -2.520008711e-02 -3.769837018e-02 4.60 -5.716413207e-04 -2.207263269e-02 -3.302401500e-02 4.62 -4.826959721e-04 -1.924157075e-02 -2.879139328e-02 4.64 -4.080460026e-04 -1.669986406e-02 -2.499049176e-02 4.66 -3.453298462e-04 -1.443546389e-02 -2.160357754e-02 4.68 -2.925842577e-04 -1.243294741e-02 -1.860784611e-02 4.70 -2.481763689e-04 -1.067392152e-02 -1.597599909e-02 4.72 -2.107472908e-04 -9.138130562e-03 -1.367788990e-02 4.74 -1.791653640e-04 -7.804472501e-03 -1.168205871e-02 4.76 -1.524874323e-04 -6.651844149e-03 -9.957008795e-03 4.78 -1.299267784e-04 -5.659796805e-03 -8.472196763e-03 4.80 -1.108265836e-04 -4.809007165e-03 -7.198744356e-03 4.82 -9.463796076e-05 -4.081583408e-03 -6.109901726e-03 4.84 -8.090176591e-05 -3.461233526e-03 -5.181303626e-03 4.86 -6.923353444e-05 -2.933326099e-03 -4.391063174e-03 4.88 -5.931100037e-05 -2.484871240e-03 -3.719745548e-03 4.90 -5.086374850e-05 -2.104446458e-03 -3.150258593e-03 4.92 -4.366462859e-05 -1.782087576e-03 -2.667690671e-03 4.94 -3.752262715e-05 -1.509160368e-03 -2.259119319e-03 4.96 -3.227694440e-05 -1.278224516e-03 -1.913408168e-03 4.98 -2.779206766e-05 -1.082898044e-03 -1.621004414e-03 5.00 -2.395367025e-05 -9.177276321e-04 -1.373744941e-03 5.02 -2.066519444e-05 -7.780680803e-04 -1.164676083e-03 5.04 -1.784500138e-05 -6.599726744e-04 -9.878896172e-04 5.06 -1.542399137e-05 -5.600950844e-04 -8.383759954e-04 5.08 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-4.911496179e-05 5.44 -1.130656269e-06 -2.823132112e-05 -4.224580652e-05 5.46 -9.926118228e-07 -2.430103851e-05 -3.636390006e-05 5.48 -8.719841392e-07 -2.093309974e-05 -3.132365334e-05 5.50 -7.665018360e-07 -1.804493168e-05 -2.700146840e-05 5.52 -6.741997167e-07 -1.556638382e-05 -2.329234333e-05 5.54 -5.933761190e-07 -1.343781732e-05 -2.010699815e-05 5.56 -5.225564004e-07 -1.160849380e-05 -1.736951770e-05 5.58 -4.604616494e-07 -1.003521627e-05 -1.501523191e-05 5.60 -4.059818487e-07 -8.681181775e-06 -1.298905707e-05 5.62 -3.581528370e-07 -7.515012492e-06 -1.124403000e-05 5.64 -3.161365163e-07 -6.509936773e-06 -9.740082215e-06 5.66 -2.792038324e-07 -5.643096588e-06 -8.443003140e-06 5.68 -2.467201261e-07 -4.894961437e-06 -7.323562802e-06 5.70 -2.181325163e-07 -4.248832033e-06 -6.356768889e-06 5.72 -1.929590236e-07 -3.690419729e-06 -5.521237186e-06 5.74 -1.707791869e-07 -3.207489861e-06 -4.798657727e-06 5.76 -1.512259608e-07 -2.789559114e-06 -4.173341778e-06 5.78 -1.339787145e-07 -2.427638517e-06 -3.631837162e-06 5.80 -1.187571773e-07 -2.114015067e-06 -3.162601381e-06 5.82 -1.053161989e-07 -1.842066021e-06 -2.755723659e-06 5.84 -9.344121054e-08 -1.606100872e-06 -2.402688414e-06 5.86 -8.294429223e-08 -1.401226785e-06 -2.096173850e-06 5.88 -7.366076051e-08 -1.223233927e-06 -1.829880331e-06 5.90 -6.544620699e-08 -1.068497686e-06 -1.598384030e-06 5.92 -5.817392599e-08 -9.338952298e-07 -1.397012047e-06 5.94 -5.173267854e-08 -8.167342586e-07 -1.221735771e-06 5.96 -4.602474733e-08 -7.146921188e-07 -1.069079763e-06 5.98 -4.096424374e-08 -6.257637432e-07 -9.360438380e-07 6.00 -3.647563326e-08 -5.482171050e-07 -8.200363971e-07