# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = Cs3Na # 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 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 5.119489015e+03 nan nan 1.14 4.745963929e+03 nan nan 1.16 4.402058030e+03 nan nan 1.18 4.085152651e+03 nan nan 1.20 3.792890495e+03 nan nan 1.22 3.523147858e+03 nan nan 1.24 3.274006246e+03 4.795878099e+03 nan 1.26 3.043730885e+03 4.475084414e+03 5.072637380e+03 1.28 2.830750339e+03 4.177523652e+03 4.741150357e+03 1.30 2.633641034e+03 3.901324830e+03 4.433163808e+03 1.32 2.451109825e+03 3.644787507e+03 4.146820213e+03 1.34 2.281979638e+03 3.406363023e+03 3.880428074e+03 1.36 2.125179637e+03 3.184641830e+03 3.632446594e+03 1.38 1.979734038e+03 2.978337444e+03 3.401467754e+03 1.40 1.844752481e+03 2.786273057e+03 3.186204458e+03 1.42 1.719421805e+03 2.607371095e+03 2.985479654e+03 1.44 1.602998835e+03 2.440645339e+03 2.798214209e+03 1.46 1.494802580e+03 2.285190921e+03 2.623418016e+03 1.48 1.394210535e+03 2.140179149e+03 2.460182597e+03 1.50 1.300651211e+03 2.004847197e+03 2.307674755e+03 1.52 1.213600501e+03 1.878493585e+03 2.165127082e+03 1.54 1.132576603e+03 1.760474600e+03 2.031833117e+03 1.56 1.057137345e+03 1.650197339e+03 1.907142830e+03 1.58 9.868755671e+02 1.547116560e+03 1.790457536e+03 1.60 9.214158085e+02 1.450729060e+03 1.681224304e+03 1.62 8.604127560e+02 1.360570505e+03 1.578931924e+03 1.64 8.035471410e+02 1.276212063e+03 1.483108217e+03 1.66 7.505248745e+02 1.197257558e+03 1.393316050e+03 1.68 7.010739726e+02 1.123340363e+03 1.309151579e+03 1.70 6.549427859e+02 1.054121158e+03 1.230239612e+03 1.72 6.118982099e+02 9.892851339e+02 1.156232243e+03 1.74 5.717254388e+02 9.285401919e+02 1.086806284e+03 1.76 5.342245861e+02 8.716151131e+02 1.021662190e+03 1.78 4.992113013e+02 8.182575673e+02 9.605210313e+02 1.80 4.665143217e+02 7.682332459e+02 9.031248525e+02 1.82 4.359746472e+02 7.213240240e+02 8.492322604e+02 1.84 4.074450735e+02 6.773269992e+02 7.986192393e+02 1.86 3.807886749e+02 6.360536574e+02 7.510767143e+02 1.88 3.558788277e+02 5.973280822e+02 7.064096544e+02 1.90 3.325976229e+02 5.609871762e+02 6.644363943e+02 1.92 3.108356274e+02 5.268780646e+02 6.249877297e+02 1.94 2.904915727e+02 4.948583874e+02 5.879054159e+02 1.96 2.714708307e+02 4.647954540e+02 5.530420749e+02 1.98 2.536857056e+02 4.365653444e+02 5.202597059e+02 2.00 2.370546344e+02 4.100523476e+02 4.894295295e+02 2.02 2.215016289e+02 3.851486584e+02 4.604315622e+02 2.04 2.069557119e+02 3.617534869e+02 4.331534028e+02 2.06 1.933512928e+02 3.397727149e+02 4.074898393e+02 2.08 1.806270130e+02 3.191184434e+02 3.833429148e+02 2.10 1.687253534e+02 2.997083129e+02 3.606205381e+02 2.12 1.575930777e+02 2.814659495e+02 3.392371380e+02 2.14 1.471802992e+02 2.643194574e+02 3.191119974e+02 2.16 1.374403547e+02 2.482022370e+02 3.001701693e+02 2.18 1.283296494e+02 2.330516293e+02 2.823409544e+02 2.20 1.198074446e+02 2.188090515e+02 2.655580669e+02 2.22 1.118355624e+02 2.054194976e+02 2.497592712e+02 2.24 1.043785221e+02 1.928318856e+02 2.348862543e+02 2.26 9.740310972e+01 1.809982604e+02 2.208842329e+02 2.28 9.087822111e+01 1.698735576e+02 2.077017203e+02 2.30 8.477456457e+01 1.594153627e+02 1.952903073e+02 2.32 7.906534951e+01 1.495841943e+02 1.836045885e+02 2.34 7.372522846e+01 1.403428498e+02 1.726018650e+02 2.36 6.873049394e+01 1.316563260e+02 1.622419831e+02 2.38 6.405872563e+01 1.234917162e+02 1.524869020e+02 2.40 5.968972112e+01 1.158180676e+02 1.433016683e+02 2.42 5.560415063e+01 1.086062257e+02 1.346524785e+02 2.44 5.178395762e+01 1.018286564e+02 1.265085877e+02 2.46 4.821226583e+01 9.545974864e+01 1.188405279e+02 2.48 4.487329239e+01 8.947493760e+01 1.116205939e+02 2.50 4.175226734e+01 8.385142584e+01 1.048227519e+02 2.52 3.883535938e+01 7.856784129e+01 9.842253122e+01 2.54 3.610960783e+01 7.360362701e+01 9.239692312e+01 2.56 3.356286061e+01 6.893981050e+01 8.672423125e+01 2.58 3.118371795e+01 6.455837037e+01 8.138413831e+01 2.60 2.896148145e+01 6.044229782e+01 7.635751524e+01 2.62 2.688610809e+01 5.657559372e+01 7.162630767e+01 2.64 2.494816882e+01 5.294321340e+01 6.717350469e+01 2.66 2.313881098e+01 4.953101510e+01 6.298304738e+01 2.68 2.144964688e+01 4.632571133e+01 5.903990175e+01 2.70 1.987297884e+01 4.331482265e+01 5.532983118e+01 2.72 1.840148993e+01 4.048657937e+01 5.183941055e+01 2.74 1.702831397e+01 3.783005418e+01 4.855597638e+01 2.76 1.574701863e+01 3.533493761e+01 4.546758056e+01 2.78 1.455149312e+01 3.299155151e+01 4.256294752e+01 2.80 1.343606450e+01 3.079081604e+01 3.983135853e+01 2.82 1.239562143e+01 2.872419421e+01 3.726278599e+01 2.84 1.142527950e+01 2.678375198e+01 3.484785227e+01 2.86 1.052042270e+01 2.496200332e+01 3.257739336e+01 2.88 9.676745903e+00 2.325192437e+01 3.044319705e+01 2.90 8.890235234e+00 2.164692167e+01 2.843727095e+01 2.92 8.157149199e+00 2.014080230e+01 2.655207014e+01 2.94 7.474000596e+00 1.872774570e+01 2.478048107e+01 2.96 6.837539211e+00 1.740227758e+01 2.311579911e+01 2.98 6.244735327e+00 1.615924570e+01 2.155170753e+01 3.00 5.692764079e+00 1.499379762e+01 2.008225775e+01 3.02 5.178990681e+00 1.390136044e+01 1.870185064e+01 3.04 4.700956536e+00 1.287762235e+01 1.740521873e+01 3.06 4.256366257e+00 1.191851597e+01 1.618740903e+01 3.08 3.843075585e+00 1.102020328e+01 1.504376657e+01 3.10 3.459080207e+00 1.017906210e+01 1.396991825e+01 3.12 3.102505436e+00 9.391673801e+00 1.296175731e+01 3.14 2.771544387e+00 8.654765684e+00 1.201532331e+01 3.16 2.464621106e+00 7.965353589e+00 1.112713089e+01 3.18 2.180194814e+00 7.320551838e+00 1.029377971e+01 3.20 1.916818813e+00 6.717621322e+00 9.512072705e+00 3.22 1.673137008e+00 6.154069530e+00 8.779008757e+00 3.24 1.447859514e+00 5.627489827e+00 8.091732996e+00 3.26 1.239798369e+00 5.135615971e+00 7.447606803e+00 3.28 1.047855553e+00 4.676184187e+00 6.844182141e+00 3.30 8.709794359e-01 4.247374976e+00 6.279112613e+00 3.32 7.081833596e-01 3.847271458e+00 5.750188737e+00 3.34 5.585138717e-01 3.473987852e+00 5.255328189e+00 3.36 4.210285312e-01 3.126049902e+00 4.792566800e+00 3.38 2.950548935e-01 2.801889737e+00 4.360050319e+00 3.40 1.798193766e-01 2.500038773e+00 3.956026910e+00 3.42 7.459817818e-02 2.219121302e+00 3.578840346e+00 3.44 -2.128589705e-02 1.957848392e+00 3.226923863e+00 3.46 -1.084663933e-01 1.715012095e+00 2.898794619e+00 3.48 -1.875359639e-01 1.489479967e+00 2.593048717e+00 3.50 -2.590489520e-01 1.280189925e+00 2.308356723e+00 3.52 -3.235238087e-01 1.086145420e+00 2.043459629e+00 3.54 -3.815163188e-01 9.064109455e-01 1.797165206e+00 3.56 -4.334036172e-01 7.401078570e-01 1.568344693e+00 3.58 -4.795970181e-01 5.864105077e-01 1.355929775e+00 3.60 -5.204964907e-01 4.445426796e-01 1.158909793e+00 3.62 -5.564755507e-01 3.137742974e-01 9.762214883e-01 3.64 -5.878830558e-01 1.934184066e-01 8.070785564e-01 3.66 -6.150448974e-01 8.282839711e-02 6.506494862e-01 3.68 -6.382655961e-01 -1.860454729e-02 5.060153106e-01 3.70 -6.578298054e-01 -1.114537952e-01 3.724917846e-01 3.72 -6.740037267e-01 -1.962594282e-01 2.494229972e-01 3.74 -6.870581636e-01 -2.735302348e-01 1.361263435e-01 3.76 -6.972205195e-01 -3.437455577e-01 3.196128464e-02 3.78 -7.046852971e-01 -4.073570078e-01 -6.367287072e-02 3.80 -7.096587523e-01 -4.647900627e-01 -1.513391068e-01 3.82 -7.123343545e-01 -5.164455613e-01 -2.315647661e-01 3.84 -7.128937547e-01 -5.627835416e-01 -3.048435427e-01 3.86 -7.115076800e-01 -6.040648092e-01 -3.716374049e-01 3.88 -7.083367569e-01 -6.406166141e-01 -4.323784472e-01 3.90 -7.035322651e-01 -6.727589025e-01 -4.874706722e-01 3.92 -6.972368236e-01 -7.007923989e-01 -5.372917008e-01 3.94 -6.895850120e-01 -7.249998006e-01 -5.821944095e-01 3.96 -6.807039281e-01 -7.456582193e-01 -6.225084948e-01 3.98 -6.707136868e-01 -7.630527258e-01 -6.585419621e-01 4.00 -6.597278619e-01 -7.773604112e-01 -6.905825406e-01 4.02 -6.478538755e-01 -7.888042395e-01 -7.188990209e-01 4.04 -6.351933375e-01 -7.975938638e-01 -7.437425180e-01 4.06 -6.218423418e-01 -8.039264623e-01 -7.653476597e-01 4.08 -6.078917207e-01 -8.079875191e-01 -7.839337008e-01 4.10 -5.934272650e-01 -8.099515502e-01 -7.997055661e-01 4.12 -5.785299121e-01 -8.099827788e-01 -8.128548239e-01 4.14 -5.632759082e-01 -8.082357605e-01 -8.235605932e-01 4.16 -5.477369495e-01 -8.048559632e-01 -8.319903879e-01 4.18 -5.319803055e-01 -7.999803014e-01 -8.383009014e-01 4.20 -5.160689304e-01 -7.937376299e-01 -8.426387355e-01 4.22 -5.000615652e-01 -7.862491977e-01 -8.451410777e-01 4.24 -4.840128360e-01 -7.776290666e-01 -8.459363314e-01 4.26 -4.679733497e-01 -7.679844955e-01 -8.451447016e-01 4.28 -4.519897913e-01 -7.574162951e-01 -8.428787423e-01 4.30 -4.361050253e-01 -7.460191538e-01 -8.392438665e-01 4.32 -4.203582018e-01 -7.338819402e-01 -8.343388254e-01 4.34 -4.047848704e-01 -7.210879822e-01 -8.282561570e-01 4.36 -3.894171014e-01 -7.077153280e-01 -8.210826097e-01 4.38 -3.742836150e-01 -6.938369902e-01 -8.128995410e-01 4.40 -3.594099192e-01 -6.795211757e-01 -8.037832960e-01 4.42 -3.448184551e-01 -6.648315047e-01 -7.938194178e-01 4.44 -3.305287496e-01 -6.498272196e-01 -7.830850647e-01 4.46 -3.165575730e-01 -6.345633870e-01 -7.716109456e-01 4.48 -3.029191028e-01 -6.190910935e-01 -7.594584544e-01 4.50 -2.896250893e-01 -6.034576377e-01 -7.466853180e-01 4.52 -2.766850241e-01 -5.877067192e-01 -7.333459104e-01 4.54 -2.641063074e-01 -5.718786247e-01 -7.194915490e-01 4.56 -2.518944153e-01 -5.560104136e-01 -7.051707719e-01 4.58 -2.400530631e-01 -5.401361014e-01 -6.904451834e-01 4.60 -2.285843646e-01 -5.242868427e-01 -6.753510132e-01 4.62 -2.174889861e-01 -5.084911128e-01 -6.599176793e-01 4.64 -2.067662934e-01 -4.927748870e-01 -6.441855965e-01 4.66 -1.964144914e-01 -4.771618187e-01 -6.281934478e-01 4.68 -1.864307554e-01 -4.616734134e-01 -6.119783589e-01 4.70 -1.768113537e-01 -4.463291999e-01 -5.955760546e-01 4.72 -1.675517615e-01 -4.311468958e-01 -5.790209968e-01 4.74 -1.586467646e-01 -4.161425675e-01 -5.623465043e-01 4.76 -1.500905553e-01 -4.013307835e-01 -5.455848546e-01 4.78 -1.418768184e-01 -3.867247600e-01 -5.287673683e-01 4.80 -1.339988091e-01 -3.723364970e-01 -5.119244769e-01 4.82 -1.264494224e-01 -3.581769055e-01 -4.950857736e-01 4.84 -1.192212552e-01 -3.442559241e-01 -4.782800493e-01 4.86 -1.123066611e-01 -3.305826245e-01 -4.615353134e-01 4.88 -1.056977986e-01 -3.171653059e-01 -4.448788013e-01 4.90 -9.938667372e-02 -3.040115775e-01 -4.283369691e-01 4.92 -9.336517741e-02 -2.911284294e-01 -4.119354766e-01 4.94 -8.762511792e-02 -2.785222923e-01 -3.956991614e-01 4.96 -8.215824960e-02 -2.661990847e-01 -3.796520029e-01 4.98 -7.695629794e-02 -2.541642508e-01 -3.638170798e-01 5.00 -7.201098165e-02 -2.424227867e-01 -3.482165220e-01 5.02 -6.731403217e-02 -2.309792583e-01 -3.328714576e-01 5.04 -6.285721097e-02 -2.198378100e-01 -3.178019578e-01 5.06 -5.863232502e-02 -2.090021655e-01 -3.030269798e-01 5.08 -5.463124070e-02 -1.984756233e-01 -2.885643108e-01 5.10 -5.085486958e-02 -1.882610453e-01 -2.744305127e-01 5.12 -4.732327098e-02 -1.783608425e-01 -2.606408702e-01 5.14 -4.398195387e-02 -1.687769567e-01 -2.472093431e-01 5.16 -4.082469856e-02 -1.595108414e-01 -2.341485240e-01 5.18 -3.784517890e-02 -1.505634405e-01 -2.214696015e-01 5.20 -3.503699589e-02 -1.419351693e-01 -2.091823318e-01 5.22 -3.239370872e-02 -1.336258944e-01 -1.972950175e-01 5.24 -2.990886311e-02 -1.256349184e-01 -1.858144948e-01 5.26 -2.757601720e-02 -1.179609650e-01 -1.747461301e-01 5.28 -2.538876488e-02 -1.106021700e-01 -1.640938255e-01 5.30 -2.334075688e-02 -1.035560749e-01 -1.538600334e-01 5.32 -2.142571952e-02 -9.681962561e-02 -1.440457813e-01 5.34 -1.963747144e-02 -9.038917637e-02 -1.346507042e-01 5.36 -1.796993841e-02 -8.426049808e-02 -1.256730871e-01 5.38 -1.641716621e-02 -7.842879210e-02 -1.171099152e-01 5.40 -1.497333198e-02 -7.288870879e-02 -1.089569316e-01 5.42 -1.363275391e-02 -6.765103555e-02 -1.012087026e-01 5.44 -1.238989961e-02 -6.269550323e-02 -9.385868911e-02 5.46 -1.123939315e-02 -5.800855259e-02 -8.689932310e-02 5.48 -1.017602098e-02 -5.358352234e-02 -8.032208935e-02 5.50 -9.194736697e-03 -4.941324008e-02 -7.411761042e-02 5.52 -8.290664978e-03 -4.551715633e-02 -6.827573450e-02 5.54 -7.459104493e-03 -4.185708336e-02 -6.278562504e-02 5.56 -6.695530099e-03 -3.842390087e-02 -5.763585130e-02 5.58 -5.995594256e-03 -3.520965256e-02 -5.281447884e-02 5.60 -5.355127762e-03 -3.220610611e-02 -4.830915916e-02 5.62 -4.770139860e-03 -2.940481173e-02 -4.410721760e-02 5.64 -4.236817747e-03 -2.679715923e-02 -4.019573885e-02 5.66 -3.751525535e-03 -2.437443285e-02 -3.656164928e-02 5.68 -3.310702091e-03 -2.212786370e-02 -3.319179555e-02 5.70 -2.962565353e-03 -2.004867932e-02 -3.007301898e-02 5.72 -2.647671507e-03 -1.812815008e-02 -2.719222512e-02 5.74 -2.360122479e-03 -1.635763225e-02 -2.453644837e-02 5.76 -2.098161472e-03 -1.472860743e-02 -2.209291115e-02 5.78 -1.860077941e-03 -1.323271835e-02 -1.984907753e-02 5.80 -1.644213945e-03 -1.186180085e-02 -1.779270128e-02 5.82 -1.448969577e-03 -1.060791206e-02 -1.591186810e-02 5.84 -1.272807473e-03 -9.463354833e-03 -1.419503225e-02 5.86 -1.114256430e-03 -8.420698405e-03 -1.263104761e-02 5.88 -9.719141792e-04 -7.472795494e-03 -1.120919324e-02 5.90 -8.444493442e-04 -6.612795881e-03 -9.919193821e-03 5.92 -7.306026554e-04 -5.834156680e-03 -8.751235020e-03 5.94 -6.291874581e-04 -5.130649494e-03 -7.695974240e-03 5.96 -5.390895871e-04 -4.496364641e-03 -6.744546962e-03 5.98 -4.592666646e-04 -3.925712702e-03 -5.888569053e-03 6.00 -3.887468880e-04 -3.413423596e-03 -5.120135395e-03