# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Nichol-A-Ackland-G-J--Li # implementation = 2016--Nichol-A--Li--LAMMPS--ipr1 # composition = Li # 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 1.574434589e+02 nan 0.64 nan nan nan nan nan nan nan nan 1.398777550e+02 nan 0.66 nan nan nan nan nan nan nan nan 1.243557201e+02 nan 0.68 nan nan nan nan nan 9.556749199e+01 nan nan 1.108054665e+02 nan 0.70 nan nan nan nan nan 8.530470078e+01 nan nan 9.893556199e+01 nan 0.72 nan nan nan nan nan 7.652264588e+01 nan nan 8.868264134e+01 nan 0.74 nan nan nan nan nan 6.875338795e+01 nan nan 7.969454334e+01 nan 0.76 nan nan nan 1.589018664e+02 1.589508646e+02 6.180485292e+01 nan nan 7.168723611e+01 nan 0.78 nan 9.219139168e+01 nan 1.439060725e+02 1.439831451e+02 5.555596063e+01 9.477348846e+01 nan 6.451164174e+01 9.344054290e+01 0.80 nan 8.341030824e+01 nan 1.305823504e+02 1.306243048e+02 5.008147512e+01 8.557577199e+01 nan 5.810639740e+01 8.461364758e+01 0.82 nan 7.556232408e+01 nan 1.187511364e+02 1.187169363e+02 4.533948087e+01 7.746661544e+01 nan 5.241705475e+01 7.689029353e+01 0.84 nan 6.858474900e+01 nan 1.081767251e+02 1.080847462e+02 4.103564634e+01 7.036206665e+01 nan 4.736888838e+01 6.988166604e+01 0.86 9.899436917e+01 6.231057119e+01 8.852744064e+01 9.874890111e+01 9.865372486e+01 3.709042688e+01 6.409866488e+01 9.153330979e+01 4.287584945e+01 6.345432284e+01 0.88 9.026149055e+01 5.658929860e+01 8.075188371e+01 9.021390573e+01 9.017540169e+01 3.342813409e+01 5.841119743e+01 8.336759117e+01 3.884431070e+01 5.751135565e+01 0.90 8.236821827e+01 5.148630688e+01 7.370941311e+01 8.254273397e+01 8.259740682e+01 3.011978514e+01 5.319173293e+01 7.604437482e+01 3.528424640e+01 5.228056011e+01 0.92 7.527616951e+01 4.686242979e+01 6.722323393e+01 7.553263720e+01 7.563660219e+01 2.718230733e+01 4.840213050e+01 6.950109288e+01 3.210516938e+01 4.765346424e+01 0.94 6.899897216e+01 4.276657017e+01 6.141486239e+01 6.917571013e+01 6.927504611e+01 2.464235678e+01 4.405468694e+01 6.369581293e+01 2.926529400e+01 4.355475053e+01 0.96 6.331348721e+01 3.905807709e+01 5.624808631e+01 6.335408297e+01 6.341874075e+01 2.246995896e+01 4.011999591e+01 5.847850570e+01 2.664753905e+01 3.983231386e+01 0.98 5.830473103e+01 3.570224644e+01 5.172686226e+01 5.823216057e+01 5.824551925e+01 2.059449521e+01 3.665149135e+01 5.380835178e+01 2.423200075e+01 3.653402626e+01 1.00 5.374209447e+01 3.265085711e+01 4.763557867e+01 5.358768662e+01 5.353585240e+01 1.888475238e+01 3.358438725e+01 4.952563469e+01 2.198932465e+01 3.358770461e+01 1.02 4.955776214e+01 2.986037966e+01 4.387839465e+01 4.937896624e+01 4.928340769e+01 1.727359077e+01 3.088570754e+01 4.555196863e+01 1.994518969e+01 3.088443270e+01 1.04 4.559265568e+01 2.730804087e+01 4.031208121e+01 4.545088393e+01 4.534685539e+01 1.571250238e+01 2.842936435e+01 4.182016324e+01 1.809767773e+01 2.828394304e+01 1.06 4.190644930e+01 2.498835738e+01 3.702902519e+01 4.186334951e+01 4.179983823e+01 1.427266044e+01 2.617241571e+01 3.838205183e+01 1.643897380e+01 2.578678875e+01 1.08 3.852349630e+01 2.285280453e+01 3.402680625e+01 3.858817648e+01 3.857980533e+01 1.296142817e+01 2.402379859e+01 3.524935437e+01 1.492535510e+01 2.349268975e+01 1.10 3.543112169e+01 2.091630795e+01 3.126026682e+01 3.558252634e+01 3.562050523e+01 1.176252237e+01 2.198118426e+01 3.243465004e+01 1.355001622e+01 2.146936370e+01 1.12 3.260510818e+01 1.914131559e+01 2.872439542e+01 3.278875750e+01 3.285456070e+01 1.068851508e+01 2.005944485e+01 2.991046007e+01 1.229546364e+01 1.967978174e+01 1.14 3.011173490e+01 1.754875820e+01 2.642160295e+01 3.023603472e+01 3.030239426e+01 9.737172961e+00 1.831357030e+01 2.762622308e+01 1.116341795e+01 1.808249141e+01 1.16 2.791762521e+01 1.610740298e+01 2.435906785e+01 2.793798525e+01 2.798985289e+01 8.890353469e+00 1.675117333e+01 2.555590301e+01 1.015333700e+01 1.662687470e+01 1.18 2.588547375e+01 1.477211353e+01 2.251398973e+01 2.581349916e+01 2.585134735e+01 8.129219020e+00 1.535665814e+01 2.363516673e+01 9.246138212e+00 1.522760522e+01 1.20 2.399270436e+01 1.355493536e+01 2.091619411e+01 2.387859362e+01 2.389914262e+01 7.459101119e+00 1.410038553e+01 2.184614331e+01 8.433412132e+00 1.391166115e+01 1.22 2.217883487e+01 1.243803263e+01 1.945015592e+01 2.207023356e+01 2.206693378e+01 6.832604216e+00 1.291061783e+01 2.017572551e+01 7.680568973e+00 1.268052732e+01 1.24 2.051523926e+01 1.143393671e+01 1.806071672e+01 2.043141179e+01 2.039515832e+01 6.235554592e+00 1.179313347e+01 1.863823072e+01 7.011689858e+00 1.157817551e+01 1.26 1.895236859e+01 1.046874817e+01 1.672028335e+01 1.891753985e+01 1.886034746e+01 5.681262310e+00 1.073003820e+01 1.721696741e+01 6.404709371e+00 1.057374640e+01 1.28 1.751778155e+01 9.564509847e+00 1.541635499e+01 1.752743349e+01 1.745965654e+01 5.155030511e+00 9.739944284e+00 1.591778136e+01 5.852431418e+00 9.665700288e+00 1.30 1.618971038e+01 8.695811439e+00 1.414299857e+01 1.622829707e+01 1.616470285e+01 4.640844094e+00 8.826005828e+00 1.471033221e+01 5.335963507e+00 8.841076620e+00 1.32 1.500862590e+01 7.882311324e+00 1.294927433e+01 1.506399211e+01 1.502147762e+01 4.155468957e+00 8.017949252e+00 1.360844169e+01 4.856346617e+00 8.116161119e+00 1.34 1.394073626e+01 7.144753954e+00 1.184494060e+01 1.399425598e+01 1.398057375e+01 3.700973424e+00 7.306470556e+00 1.256044948e+01 4.405947733e+00 7.467576377e+00 1.36 1.289064325e+01 6.468840764e+00 1.085735615e+01 1.293288327e+01 1.295634117e+01 3.293742967e+00 6.683020768e+00 1.157438180e+01 3.983474763e+00 6.865778673e+00 1.38 1.190082535e+01 5.836451030e+00 9.968782491e+00 1.191962571e+01 1.196987955e+01 2.934140374e+00 6.129847473e+00 1.063593221e+01 3.583150456e+00 6.312277887e+00 1.40 1.098240082e+01 5.248242766e+00 9.182263900e+00 1.097642526e+01 1.103973403e+01 2.630616837e+00 5.641791839e+00 9.744672380e+00 3.209405436e+00 5.817288819e+00 1.42 1.010620676e+01 4.690162368e+00 8.469267971e+00 1.009142582e+01 1.015806867e+01 2.374117670e+00 5.209593330e+00 8.896408739e+00 2.865255438e+00 5.364512807e+00 1.44 9.254151026e+00 4.180495359e+00 7.768615072e+00 9.246891933e+00 9.307082333e+00 2.091755237e+00 4.803987763e+00 8.092905122e+00 2.521433445e+00 4.936470764e+00 1.46 8.433601337e+00 3.724446815e+00 7.105017191e+00 8.445403732e+00 8.494284030e+00 1.838383591e+00 4.422445894e+00 7.351986144e+00 2.195554239e+00 4.529803953e+00 1.48 7.660012301e+00 3.332515467e+00 6.469851417e+00 7.691837805e+00 7.726376272e+00 1.604700990e+00 4.056602308e+00 6.685939455e+00 1.896216103e+00 4.138450672e+00 1.50 6.965884325e+00 3.007002821e+00 5.869256622e+00 7.009759040e+00 7.027835553e+00 1.384148567e+00 3.704240616e+00 6.106012999e+00 1.630953662e+00 3.768771433e+00 1.52 6.352991572e+00 2.731684133e+00 5.298404601e+00 6.396274466e+00 6.396280042e+00 1.165306036e+00 3.363463863e+00 5.608652797e+00 1.403079632e+00 3.411427497e+00 1.54 5.830806788e+00 2.491676186e+00 4.766917565e+00 5.856987966e+00 5.837752316e+00 9.469382337e-01 3.040856494e+00 5.179980059e+00 1.209457569e+00 3.061647714e+00 1.56 5.379894009e+00 2.272696561e+00 4.281424297e+00 5.376971623e+00 5.339553435e+00 7.313895258e-01 2.737105768e+00 4.790223110e+00 1.029389985e+00 2.721949758e+00 1.58 4.999618833e+00 2.058796324e+00 3.868924271e+00 4.964365895e+00 4.912659535e+00 5.318323284e-01 2.462634095e+00 4.427862504e+00 8.462643931e-01 2.406206797e+00 1.60 4.653690013e+00 1.840048089e+00 3.516286084e+00 4.590035025e+00 4.528484096e+00 3.468749101e-01 2.188486368e+00 4.077785855e+00 6.752632700e-01 2.114749617e+00 1.62 4.324319450e+00 1.613272101e+00 3.223636011e+00 4.244149652e+00 4.178432540e+00 1.831922560e-01 1.928854896e+00 3.736139726e+00 5.113146187e-01 1.855893158e+00 1.64 3.985795828e+00 1.384263820e+00 2.969703806e+00 3.904251994e+00 3.840655404e+00 3.820899618e-02 1.686118452e+00 3.401302188e+00 3.524663875e-01 1.626767064e+00 1.66 3.633144256e+00 1.161752022e+00 2.745669077e+00 3.561416990e+00 3.505027662e+00 -8.673905300e-02 1.461105446e+00 3.066245684e+00 2.059900585e-01 1.380498768e+00 1.68 3.284319568e+00 9.485177863e-01 2.530579792e+00 3.229650457e+00 3.184669945e+00 -1.993315198e-01 1.247726707e+00 2.745498084e+00 7.188571914e-02 1.161109610e+00 1.70 2.947437610e+00 7.542886529e-01 2.317473593e+00 2.914628809e+00 2.885244502e+00 -3.032420475e-01 1.039937924e+00 2.444504343e+00 -4.670151867e-02 9.673963080e-01 1.72 2.624256918e+00 5.810926892e-01 2.101477164e+00 2.615690954e+00 2.606109913e+00 -4.010403885e-01 8.371363278e-01 2.165026511e+00 -1.510416874e-01 7.918407034e-01 1.74 2.326268817e+00 4.361244289e-01 1.888633322e+00 2.340413972e+00 2.351668901e+00 -4.913500847e-01 6.442314086e-01 1.907465281e+00 -2.402248245e-01 6.289644971e-01 1.76 2.052018636e+00 3.195879127e-01 1.687225464e+00 2.086727938e+00 2.118427295e+00 -5.704216562e-01 4.664033546e-01 1.673011002e+00 -3.182110249e-01 4.752296710e-01 1.78 1.799826043e+00 2.321480343e-01 1.500263926e+00 1.851383147e+00 1.900666190e+00 -6.385229936e-01 3.054784459e-01 1.459478716e+00 -3.885228209e-01 3.291531417e-01 1.80 1.573516252e+00 1.691193695e-01 1.325638266e+00 1.635811788e+00 1.696883577e+00 -6.984497383e-01 1.625905609e-01 1.267337245e+00 -4.523033343e-01 1.969708066e-01 1.82 1.375175241e+00 1.227434415e-01 1.161938490e+00 1.440560366e+00 1.505543255e+00 -7.508846688e-01 3.987754283e-02 1.096078972e+00 -5.112804307e-01 8.462316512e-02 1.84 1.208771894e+00 8.742692618e-02 1.013119943e+00 1.270716185e+00 1.332599134e+00 -7.947235456e-01 -5.997895523e-02 9.428285652e-01 -5.635169274e-01 -7.163217536e-03 1.86 1.062764507e+00 5.811376923e-02 8.696722603e-01 1.116599652e+00 1.170434678e+00 -8.368669543e-01 -1.422559107e-01 8.040268822e-01 -6.120268567e-01 -8.407852928e-02 1.88 9.303027260e-01 2.755265902e-02 7.291322749e-01 9.732816115e-01 1.016260497e+00 -8.790769385e-01 -2.246920628e-01 6.771226533e-01 -6.568891682e-01 -1.516739777e-01 1.90 8.016163758e-01 -1.497251547e-02 5.892348013e-01 8.329176742e-01 8.642189726e-01 -9.222740721e-01 -2.924804743e-01 5.565261668e-01 -7.122851172e-01 -2.180785601e-01 1.92 6.812027623e-01 -9.119844059e-02 4.557600660e-01 7.014883422e-01 7.217739221e-01 -9.639393181e-01 -3.450176559e-01 4.443730461e-01 -7.714761464e-01 -2.833111397e-01 1.94 5.615538162e-01 -1.689738067e-01 3.264700658e-01 5.721910533e-01 5.828282904e-01 -1.005411514e+00 -3.862764497e-01 3.394426124e-01 -8.295103965e-01 -3.540445528e-01 1.96 4.468545631e-01 -2.461869563e-01 2.028509896e-01 4.483715600e-01 4.498885569e-01 -1.045823029e+00 -4.213060659e-01 2.438466556e-01 -8.867695240e-01 -4.263438503e-01 1.98 3.351030383e-01 -3.224783439e-01 8.522753177e-02 3.277438712e-01 3.203847042e-01 -1.084767812e+00 -4.555974318e-01 1.582733809e-01 -9.424924619e-01 -5.002728613e-01 2.00 2.343498696e-01 -3.947265664e-01 -1.871302357e-02 2.182240389e-01 2.020982081e-01 -1.118834157e+00 -4.890370045e-01 8.408063545e-02 -9.949051732e-01 -5.705928596e-01 2.02 1.465468008e-01 -4.616467817e-01 -1.211297863e-01 1.215508198e-01 9.655483885e-02 -1.146885987e+00 -5.238060728e-01 1.921130092e-02 -1.043446977e+00 -6.343070043e-01 2.04 7.214891268e-02 -5.211151246e-01 -2.217726934e-01 3.827148213e-02 4.394051571e-03 -1.167502947e+00 -5.619008837e-01 -3.804600378e-02 -1.088622175e+00 -6.909207629e-01 2.06 9.778077323e-03 -5.732247919e-01 -3.039635739e-01 -3.233311743e-02 -7.444431219e-02 -1.180373016e+00 -6.035173520e-01 -8.993367878e-02 -1.129653281e+00 -7.392631781e-01 2.08 -4.339801881e-02 -6.252966945e-01 -3.665726590e-01 -9.173879089e-02 -1.400795630e-01 -1.183867172e+00 -6.478411536e-01 -1.400002500e-01 -1.165390049e+00 -7.808133333e-01 2.10 -8.909070319e-02 -7.047395475e-01 -4.075832883e-01 -1.402815510e-01 -1.914723989e-01 -1.176137154e+00 -6.915073702e-01 -1.894422312e-01 -1.195290821e+00 -8.165024933e-01 2.12 -1.321305100e-01 -7.774354795e-01 -4.290330934e-01 -1.815682064e-01 -2.310059029e-01 -1.157694123e+00 -7.333145400e-01 -2.389181881e-01 -1.219733707e+00 -8.481373295e-01 2.14 -1.768141405e-01 -8.430972176e-01 -4.348222245e-01 -2.196271751e-01 -2.624402098e-01 -1.129398878e+00 -7.728584672e-01 -2.894796989e-01 -1.239348565e+00 -8.794399411e-01 2.16 -2.274161950e-01 -9.001095351e-01 -4.319483382e-01 -2.593730866e-01 -2.913299781e-01 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