# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Vashishta-P-Kalia-R-K-Rino-J-P-Ebbsjo-I--Si-O # implementation = 1990--Vashishta-P--Si-O--LAMMPS--ipr1 # composition = OSi3 # 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 nan nan nan 1.14 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 nan nan nan 1.32 nan nan nan 1.34 nan nan nan 1.36 nan nan nan 1.38 nan nan nan 1.40 nan nan nan 1.42 nan nan nan 1.44 nan nan nan 1.46 nan nan nan 1.48 nan nan nan 1.50 nan nan nan 1.52 nan nan nan 1.54 2.047662796e+02 nan nan 1.56 1.960260846e+02 nan nan 1.58 1.876922214e+02 nan nan 1.60 1.797340854e+02 nan nan 1.62 1.721254042e+02 nan nan 1.64 1.648535041e+02 nan nan 1.66 1.579020539e+02 nan nan 1.68 1.512588825e+02 2.084455529e+02 nan 1.70 1.449054704e+02 1.998089695e+02 nan 1.72 1.388353423e+02 1.915349703e+02 2.087899386e+02 1.74 1.330393418e+02 1.836018686e+02 2.007972805e+02 1.76 1.274973459e+02 1.759957179e+02 1.931289286e+02 1.78 1.222013104e+02 1.687036700e+02 1.857671625e+02 1.80 1.171396148e+02 1.617144138e+02 1.787001825e+02 1.82 1.123065818e+02 1.550236501e+02 1.719118321e+02 1.84 1.077013706e+02 1.486251730e+02 1.653908845e+02 1.86 1.033199793e+02 1.425135370e+02 1.591304088e+02 1.88 9.915679542e+01 1.366815349e+02 1.531226335e+02 1.90 9.520835129e+01 1.311273814e+02 1.473591086e+02 1.92 9.146994603e+01 1.258436723e+02 1.418231629e+02 1.94 8.793115727e+01 1.208252873e+02 1.365061959e+02 1.96 8.458897213e+01 1.160666382e+02 1.313986568e+02 1.98 8.143959963e+01 1.115639088e+02 1.264943805e+02 2.00 7.847677519e+01 1.073143156e+02 1.217871209e+02 2.02 7.569614771e+01 1.033098979e+02 1.172712939e+02 2.04 7.308912858e+01 9.954229463e+01 1.129417106e+02 2.06 7.064287132e+01 9.599887578e+01 1.087962249e+02 2.08 6.833940799e+01 9.266311475e+01 1.048325423e+02 2.10 6.616291493e+01 8.952124849e+01 1.010485432e+02 2.12 6.410121371e+01 8.655483102e+01 9.744039358e+01 2.14 6.214206097e+01 8.374241846e+01 9.400623506e+01 2.16 6.027440451e+01 8.106593252e+01 9.073989873e+01 2.18 5.848373980e+01 7.851111867e+01 8.763837149e+01 2.20 5.676070041e+01 7.606868787e+01 8.469771133e+01 2.22 5.509957495e+01 7.373454853e+01 8.191254251e+01 2.24 5.349799001e+01 7.150577372e+01 7.927869324e+01 2.26 5.195057275e+01 6.937908538e+01 7.678738393e+01 2.28 5.045312128e+01 6.734751243e+01 7.443078786e+01 2.30 4.900391384e+01 6.540596374e+01 7.220165669e+01 2.32 4.760294277e+01 6.355010236e+01 7.008846566e+01 2.34 4.624893417e+01 6.176835052e+01 6.808126709e+01 2.36 4.494075779e+01 6.005382500e+01 6.617085393e+01 2.38 4.367731982e+01 5.840253363e+01 6.434409404e+01 2.40 4.245721018e+01 5.681071119e+01 6.259024209e+01 2.42 4.127769527e+01 5.527439432e+01 6.090203530e+01 2.44 4.013884723e+01 5.378913871e+01 5.927294988e+01 2.46 3.903788588e+01 5.235076441e+01 5.769688479e+01 2.48 3.797383956e+01 5.095761674e+01 5.617115943e+01 2.50 3.694587074e+01 4.960849284e+01 5.469412645e+01 2.52 3.595259654e+01 4.830159791e+01 5.326342443e+01 2.54 3.499267611e+01 4.703522693e+01 5.187686366e+01 2.56 3.406264994e+01 4.580847992e+01 5.053345724e+01 2.58 3.316009956e+01 4.462048384e+01 4.923224873e+01 2.60 3.228550301e+01 4.347039141e+01 4.797124730e+01 2.62 3.143825863e+01 4.235725452e+01 4.674804299e+01 2.64 3.061778036e+01 4.127932406e+01 4.556180726e+01 2.66 2.982349850e+01 4.023510629e+01 4.441174824e+01 2.68 2.905485913e+01 3.922318704e+01 4.329709682e+01 2.70 2.831132358e+01 3.824288475e+01 4.221710571e+01 2.72 2.759236788e+01 3.729353957e+01 4.117104865e+01 2.74 2.689548604e+01 3.637450060e+01 4.015821961e+01 2.76 2.621787200e+01 3.548299677e+01 3.917793205e+01 2.78 2.556033548e+01 3.461683222e+01 3.822933749e+01 2.80 2.492176410e+01 3.377549617e+01 3.730934469e+01 2.82 2.430152014e+01 3.295849131e+01 3.641660775e+01 2.84 2.369923889e+01 3.216533336e+01 3.555058136e+01 2.86 2.311456503e+01 3.139555059e+01 3.471073454e+01 2.88 2.254715231e+01 3.064868348e+01 3.389655023e+01 2.90 2.199641213e+01 2.992399599e+01 3.310677136e+01 2.92 2.146119814e+01 2.922011333e+01 3.233845498e+01 2.94 2.094114712e+01 2.853617448e+01 3.159099537e+01 2.96 2.043565327e+01 2.787030189e+01 3.086399408e+01 2.98 1.994293654e+01 2.722200416e+01 3.015706259e+01 3.00 1.946320519e+01 2.659095077e+01 2.946982199e+01 3.02 1.899704779e+01 2.597681928e+01 2.880187387e+01 3.04 1.854404962e+01 2.537929501e+01 2.815220097e+01 3.06 1.810389799e+01 2.479807088e+01 2.752019250e+01 3.08 1.767635558e+01 2.423222043e+01 2.690552344e+01 3.10 1.726119073e+01 2.368057816e+01 2.630787652e+01 3.12 1.685817730e+01 2.314288073e+01 2.572694204e+01 3.14 1.646709445e+01 2.261887739e+01 2.516241757e+01 3.16 1.608772652e+01 2.210832323e+01 2.461400785e+01 3.18 1.571986289e+01 2.161097899e+01 2.408030216e+01 3.20 1.536329785e+01 2.112661088e+01 2.355933281e+01 3.22 1.501783040e+01 2.065499046e+01 2.305085862e+01 3.24 1.468326420e+01 2.019589449e+01 2.255466207e+01 3.26 1.435864680e+01 1.974910475e+01 2.207053053e+01 3.28 1.404212760e+01 1.931440795e+01 2.159825614e+01 3.30 1.373358069e+01 1.889159554e+01 2.113763562e+01 3.32 1.343317107e+01 1.848046365e+01 2.068847023e+01 3.34 1.314073697e+01 1.808075435e+01 2.025049969e+01 3.36 1.285542988e+01 1.769151711e+01 1.982268387e+01 3.38 1.257691192e+01 1.731234412e+01 1.940459254e+01 3.40 1.230506976e+01 1.694306691e+01 1.899606404e+01 3.42 1.203979249e+01 1.658352063e+01 1.859694019e+01 3.44 1.178097157e+01 1.623354398e+01 1.820706616e+01 3.46 1.152850077e+01 1.589297910e+01 1.782629040e+01 3.48 1.128227608e+01 1.556167149e+01 1.745446456e+01 3.50 1.104219571e+01 1.523946995e+01 1.709144342e+01 3.52 1.080815998e+01 1.492622645e+01 1.673708478e+01 3.54 1.058004266e+01 1.462173879e+01 1.639123509e+01 3.56 1.035697965e+01 1.432432799e+01 1.605337371e+01 3.58 1.013854819e+01 1.403319678e+01 1.572320254e+01 3.60 9.924675398e+00 1.374824665e+01 1.540060016e+01 3.62 9.715289838e+00 1.346938104e+01 1.508544761e+01 3.64 9.510321520e+00 1.319650533e+01 1.477762838e+01 3.66 9.309581817e+00 1.292952681e+01 1.447702826e+01 3.68 9.112025109e+00 1.266835458e+01 1.418353537e+01 3.70 8.917387417e+00 1.241289953e+01 1.389704003e+01 3.72 8.725669871e+00 1.216307434e+01 1.361743476e+01 3.74 8.537512628e+00 1.191879336e+01 1.334461422e+01 3.76 8.353092881e+00 1.167997265e+01 1.307847513e+01 3.78 8.172354206e+00 1.144652988e+01 1.281891606e+01 3.80 7.995241272e+00 1.121838432e+01 1.256520369e+01 3.82 7.821699816e+00 1.099545680e+01 1.231666255e+01 3.84 7.651676622e+00 1.077766968e+01 1.207321599e+01 3.86 7.485119492e+00 1.056494679e+01 1.183478882e+01 3.88 7.321977226e+00 1.035717739e+01 1.160130728e+01 3.90 7.162199596e+00 1.015386477e+01 1.137269902e+01 3.92 7.005737329e+00 9.954821874e+00 1.114889303e+01 3.94 6.852542081e+00 9.759986832e+00 1.092981965e+01 3.96 6.702566415e+00 9.569298939e+00 1.071541051e+01 3.98 6.555763787e+00 9.382670098e+00 1.050559853e+01 4.00 6.412088519e+00 9.199644933e+00 1.030031785e+01 4.02 6.271495783e+00 9.020045026e+00 1.009950385e+01 4.04 6.133941583e+00 8.843822078e+00 9.903093081e+00 4.06 5.999382732e+00 8.670928664e+00 9.711023278e+00 4.08 5.867776839e+00 8.501318215e+00 9.523233299e+00 4.10 5.739082289e+00 8.334944999e+00 9.339443543e+00 4.12 5.613258227e+00 8.171764103e+00 9.159251482e+00 4.14 5.490264539e+00 8.011731416e+00 8.982603033e+00 4.16 5.370061839e+00 7.854803611e+00 8.809449433e+00 4.18 5.252611451e+00 7.700938128e+00 8.639742784e+00 4.20 5.137875393e+00 7.550093160e+00 8.473436030e+00 4.22 5.025816363e+00 7.402227635e+00 8.310482947e+00 4.24 4.916397727e+00 7.257301202e+00 8.150838122e+00 4.26 4.809583500e+00 7.115274214e+00 7.994456934e+00 4.28 4.705183481e+00 6.976107715e+00 7.841295539e+00 4.30 4.602846438e+00 6.839763423e+00 7.691310857e+00 4.32 4.502535128e+00 6.706203721e+00 7.544460548e+00 4.34 4.404222592e+00 6.575345043e+00 7.400703007e+00 4.36 4.307882337e+00 6.446866216e+00 7.259997339e+00 4.38 4.213630636e+00 6.320687489e+00 7.122303352e+00 4.40 4.121750461e+00 6.196778875e+00 6.987581536e+00 4.42 4.032221426e+00 6.075110890e+00 6.855793055e+00 4.44 3.945012596e+00 5.955654545e+00 6.726899729e+00 4.46 3.860093564e+00 5.838381334e+00 6.600864022e+00 4.48 3.777400309e+00 5.723263225e+00 6.477615078e+00 4.50 3.696579209e+00 5.610272650e+00 6.356794102e+00 4.52 3.617525568e+00 5.499382498e+00 6.238289958e+00 4.54 3.540216734e+00 5.390566102e+00 6.122073221e+00 4.56 3.464630434e+00 5.283797235e+00 6.008114950e+00 4.58 3.390744764e+00 5.179050098e+00 5.896386676e+00 4.60 3.318538182e+00 5.076299311e+00 5.786860398e+00 4.62 3.247989504e+00 4.975519909e+00 5.679508568e+00 4.64 3.179077890e+00 4.876687329e+00 5.574304084e+00 4.66 3.111782844e+00 4.779777406e+00 5.471220284e+00 4.68 3.046084205e+00 4.684766362e+00 5.370230934e+00 4.70 2.981962138e+00 4.591630801e+00 5.271310221e+00 4.72 2.919397130e+00 4.500347702e+00 5.174432747e+00 4.74 2.858369983e+00 4.410894408e+00 5.079573515e+00 4.76 2.798861807e+00 4.323248623e+00 4.986707928e+00 4.78 2.740854017e+00 4.237388404e+00 4.895811777e+00 4.80 2.684328323e+00 4.153292154e+00 4.806861237e+00 4.82 2.629266727e+00 4.070938613e+00 4.719832855e+00 4.84 2.575651515e+00 3.990306857e+00 4.634703547e+00 4.86 2.523465255e+00 3.911376287e+00 4.551450590e+00 4.88 2.472690789e+00 3.834126625e+00 4.470051613e+00 4.90 2.423311227e+00 3.758537905e+00 4.390484595e+00 4.92 2.375309944e+00 3.684590474e+00 4.312727852e+00 4.94 2.328670574e+00 3.612264978e+00 4.236760037e+00 4.96 2.283377007e+00 3.541542361e+00 4.162560129e+00 4.98 2.239413379e+00 3.472403859e+00 4.090107431e+00 5.00 2.196764072e+00 3.404830995e+00 4.019381560e+00 5.02 2.155270552e+00 3.338747140e+00 3.950076125e+00 5.04 2.114776788e+00 3.274076865e+00 3.881889586e+00 5.06 2.075271237e+00 3.210803880e+00 3.814809207e+00 5.08 2.036742529e+00 3.148912144e+00 3.748822439e+00 5.10 1.999179464e+00 3.088385853e+00 3.683916918e+00 5.12 1.962571012e+00 3.029209441e+00 3.620080461e+00 5.14 1.926906304e+00 2.971367571e+00 3.557301062e+00 5.16 1.892174634e+00 2.914845135e+00 3.495566888e+00 5.18 1.858365456e+00 2.859627247e+00 3.434866280e+00 5.20 1.825468378e+00 2.805699242e+00 3.375187744e+00 5.22 1.793473162e+00 2.753046668e+00 3.316519955e+00 5.24 1.762369718e+00 2.701529779e+00 3.258851749e+00 5.26 1.732148107e+00 2.650942823e+00 3.202172120e+00 5.28 1.702798531e+00 2.601273380e+00 3.146470222e+00 5.30 1.674311338e+00 2.552511369e+00 3.091735361e+00 5.32 1.646677013e+00 2.504646854e+00 3.037956997e+00 5.34 1.619886180e+00 2.457670039e+00 2.985124736e+00 5.36 1.593761067e+00 2.411571268e+00 2.933228334e+00 5.38 1.567868047e+00 2.366341021e+00 2.882257688e+00 5.40 1.542183812e+00 2.321969915e+00 2.832202839e+00 5.42 1.516706235e+00 2.278448696e+00 2.783053966e+00 5.44 1.491433215e+00 2.235768241e+00 2.734801384e+00 5.46 1.466362677e+00 2.193919557e+00 2.687435545e+00 5.48 1.441492575e+00 2.152893773e+00 2.640947031e+00 5.50 1.416820886e+00 2.112682144e+00 2.595326555e+00 5.52 1.392345613e+00 2.073276044e+00 2.550564958e+00 5.54 1.368064784e+00 2.034666969e+00 2.506653207e+00 5.56 1.344006906e+00 1.996846531e+00 2.463582391e+00 5.58 1.320274258e+00 1.959806456e+00 2.421343724e+00 5.60 1.296872263e+00 1.923538586e+00 2.379928536e+00 5.62 1.273797516e+00 1.888034872e+00 2.339328277e+00 5.64 1.251046660e+00 1.853287377e+00 2.299534512e+00 5.66 1.228616381e+00 1.819288270e+00 2.260538919e+00 5.68 1.206503412e+00 1.786029825e+00 2.222333289e+00 5.70 1.184704524e+00 1.753504424e+00 2.184909524e+00 5.72 1.163216536e+00 1.721704549e+00 2.148259632e+00 5.74 1.142036305e+00 1.690622783e+00 2.112375728e+00 5.76 1.121160730e+00 1.660251808e+00 2.077250034e+00 5.78 1.100585589e+00 1.630584404e+00 2.042860959e+00 5.80 1.080292087e+00 1.601613448e+00 2.009012045e+00 5.82 1.060272431e+00 1.573331910e+00 1.975638206e+00 5.84 1.040523902e+00 1.545732854e+00 1.942734720e+00 5.86 1.021043815e+00 1.518809435e+00 1.910296923e+00 5.88 1.001829520e+00 1.492554896e+00 1.878320215e+00 5.90 9.828784002e-01 1.466962573e+00 1.846800052e+00 5.92 9.641878730e-01 1.442025885e+00 1.815731950e+00 5.94 9.457553883e-01 1.417738338e+00 1.785111482e+00 5.96 9.275784284e-01 1.394093523e+00 1.754934275e+00 5.98 9.096545076e-01 1.371085114e+00 1.725196016e+00 6.00 8.919811716e-01 1.348706865e+00 1.695892444e+00