# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1997--Broughton-J-Q-Meli-C-A-Vashishta-P-Kalia-R-K--Si-O # implementation = 1997--Broughton-J-Q--Si-O--LAMMPS--ipr1 # composition = Si # 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 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 nan nan nan nan nan 0.84 nan nan nan nan nan 1.369886266e+02 nan nan nan nan 0.86 nan nan nan nan nan 1.268592902e+02 nan nan nan nan 0.88 nan nan nan nan nan 1.177154804e+02 nan nan 1.356587890e+02 nan 0.90 nan nan nan nan nan 1.094291533e+02 nan nan 1.261990282e+02 nan 0.92 nan nan nan nan nan 1.019091116e+02 nan nan 1.175947731e+02 nan 0.94 nan nan nan nan nan 9.507797576e+01 nan nan 1.097503618e+02 nan 0.96 nan 1.388778833e+02 nan nan nan 8.883700095e+01 nan nan 1.025829671e+02 nan 0.98 nan 1.300530368e+02 nan nan nan 8.311635827e+01 1.322568986e+02 nan 9.601237404e+01 1.304769045e+02 1.00 nan 1.219437312e+02 nan nan nan 7.786009327e+01 1.239957718e+02 nan 8.997126828e+01 1.223051431e+02 1.02 nan 1.144767644e+02 nan nan nan 7.302549108e+01 1.163872292e+02 nan 8.440720097e+01 1.148023473e+02 1.04 nan 1.075889091e+02 nan nan nan 6.856996703e+01 1.093739660e+02 nan 7.927577893e+01 1.078898037e+02 1.06 nan 1.012276262e+02 1.336511933e+02 nan nan 6.446039888e+01 1.028988668e+02 1.373892645e+02 7.453486651e+01 1.015075477e+02 1.08 1.377987102e+02 9.533862058e+01 1.259313001e+02 1.377959985e+02 1.377944456e+02 6.065909901e+01 9.691268167e+01 1.294639099e+02 7.015143869e+01 9.561299556e+01 1.10 1.299929501e+02 8.988672805e+01 1.187829031e+02 1.299776563e+02 1.299731449e+02 5.713853177e+01 9.137289437e+01 1.221181315e+02 6.609339190e+01 9.015041168e+01 1.12 1.227457562e+02 8.482708301e+01 1.121504130e+02 1.227252472e+02 1.227199114e+02 5.387518289e+01 8.624206130e+01 1.152941667e+02 6.233208491e+01 8.507260765e+01 1.14 1.160038974e+02 8.012569164e+01 1.059829243e+02 1.159935851e+02 1.159903708e+02 5.084186430e+01 8.147515851e+01 1.089502446e+02 5.884127542e+01 8.034651309e+01 1.16 1.097316880e+02 7.574658542e+01 1.002437221e+02 1.097338373e+02 1.097331100e+02 4.801592670e+01 7.703312535e+01 1.030508084e+02 5.559615024e+01 7.594577180e+01 1.18 1.038875287e+02 7.166670735e+01 9.489202785e+01 1.038999630e+02 1.039031794e+02 4.538411101e+01 7.288612966e+01 9.755818511e+01 5.257466447e+01 7.185156895e+01 1.20 9.843970511e+01 6.786687913e+01 8.989447303e+01 9.845613375e+01 9.846279028e+01 4.293245415e+01 6.901545361e+01 9.243556930e+01 4.975877403e+01 6.804020640e+01 1.22 9.335597530e+01 6.431839355e+01 8.523023556e+01 9.337083338e+01 9.337776743e+01 4.064953875e+01 6.540120407e+01 8.765533424e+01 4.713181796e+01 6.448569514e+01 1.24 8.860676903e+01 6.100328293e+01 8.088153767e+01 8.861564866e+01 8.862013843e+01 3.852622210e+01 6.202475689e+01 8.319009460e+01 4.467642603e+01 6.116423074e+01 1.26 8.416828162e+01 5.790158301e+01 7.681945881e+01 8.416766137e+01 8.416876435e+01 3.654796472e+01 5.886767930e+01 7.901581651e+01 4.237859056e+01 5.805734197e+01 1.28 8.001332193e+01 5.499172750e+01 7.301549511e+01 8.000398869e+01 8.000224691e+01 3.469992703e+01 5.591027496e+01 7.510453993e+01 4.022194930e+01 5.514973531e+01 1.30 7.611327191e+01 5.226106039e+01 6.944498492e+01 7.610112236e+01 7.609736023e+01 3.296378121e+01 5.313932991e+01 7.143368439e+01 3.819609841e+01 5.242658368e+01 1.32 7.244919540e+01 4.970080477e+01 6.609319164e+01 7.243804496e+01 7.243263340e+01 3.133070860e+01 5.054340774e+01 6.798555123e+01 3.629372898e+01 4.987120825e+01 1.34 6.900584047e+01 4.729766684e+01 6.294554226e+01 6.899503505e+01 6.898841369e+01 2.979545219e+01 4.810831124e+01 6.474212768e+01 3.450717228e+01 4.747100850e+01 1.36 6.576220278e+01 4.503561905e+01 5.997769889e+01 6.575440606e+01 6.574831892e+01 2.834812198e+01 4.582239159e+01 6.168835607e+01 3.282843720e+01 4.520809849e+01 1.38 6.270535529e+01 4.290706502e+01 5.717770994e+01 6.270285254e+01 6.269940584e+01 2.698280681e+01 4.367135273e+01 5.881064331e+01 3.125202469e+01 4.307252726e+01 1.40 5.982436829e+01 4.090467220e+01 5.453633748e+01 5.982814349e+01 5.982886834e+01 2.569417374e+01 4.164209710e+01 5.609939459e+01 2.976882716e+01 4.105730970e+01 1.42 5.711037352e+01 3.901718517e+01 5.204583092e+01 5.711826854e+01 5.712205545e+01 2.447814597e+01 3.972409714e+01 5.354601847e+01 2.837062730e+01 3.915657828e+01 1.44 5.454942356e+01 3.723340408e+01 4.969940781e+01 5.456074030e+01 5.456693476e+01 2.333152334e+01 3.791118629e+01 5.113747960e+01 2.705264368e+01 3.736528518e+01 1.46 5.212826955e+01 3.554840410e+01 4.748614032e+01 5.214308844e+01 5.215082984e+01 2.225107728e+01 3.619803792e+01 4.886454636e+01 2.581008411e+01 3.567866925e+01 1.48 4.984091310e+01 3.395796392e+01 4.539364208e+01 4.985660767e+01 4.986455614e+01 2.123166710e+01 3.458008807e+01 4.671969194e+01 2.463810192e+01 3.409065907e+01 1.50 4.768168830e+01 3.245802083e+01 4.341554984e+01 4.769486453e+01 4.770173933e+01 2.027008137e+01 3.305021192e+01 4.469420616e+01 2.353086868e+01 3.258787450e+01 1.52 4.564523820e+01 3.104059993e+01 4.154569065e+01 4.565044506e+01 4.565502135e+01 1.936250484e+01 3.160298721e+01 4.277974552e+01 2.248421709e+01 3.116527359e+01 1.54 4.372190154e+01 2.969657167e+01 3.977544157e+01 4.371638032e+01 4.371786887e+01 1.850254586e+01 3.023375018e+01 4.096743076e+01 2.149547458e+01 2.981803003e+01 1.56 4.189517765e+01 2.842132942e+01 3.810047884e+01 4.188322663e+01 4.188186328e+01 1.768799409e+01 2.893735158e+01 3.924716284e+01 2.056004221e+01 2.853912182e+01 1.58 4.016058217e+01 2.721207461e+01 3.651698020e+01 4.014602107e+01 4.014208365e+01 1.691703069e+01 2.770943460e+01 3.761476579e+01 1.967372542e+01 2.732561102e+01 1.60 3.851346750e+01 2.606586696e+01 3.502006169e+01 3.849853929e+01 3.849254591e+01 1.618792991e+01 2.654603989e+01 3.606409421e+01 1.883371932e+01 2.617457886e+01 1.62 3.694654244e+01 2.497895452e+01 3.360024960e+01 3.693474771e+01 3.692800968e+01 1.549843421e+01 2.544038154e+01 3.459135501e+01 1.803731958e+01 2.508229433e+01 1.64 3.545633323e+01 2.394787613e+01 3.224640238e+01 3.544828063e+01 3.544119238e+01 1.484317004e+01 2.438790569e+01 3.319146730e+01 1.728028781e+01 2.404636351e+01 1.66 3.403990221e+01 2.296712825e+01 3.095469360e+01 3.403479391e+01 3.402757088e+01 1.422017274e+01 2.338659238e+01 3.185952456e+01 1.655989118e+01 2.306462018e+01 1.68 3.269166720e+01 2.203230807e+01 2.972279467e+01 3.268949774e+01 3.268269749e+01 1.362822904e+01 2.243451973e+01 3.059123744e+01 1.587473123e+01 2.213221582e+01 1.70 3.140708374e+01 2.114121162e+01 2.854773416e+01 3.140847571e+01 3.140288534e+01 1.306542930e+01 2.152985793e+01 2.938357228e+01 1.522325809e+01 2.124530412e+01 1.72 3.018381563e+01 2.029223725e+01 2.742588674e+01 3.018887560e+01 3.018525179e+01 1.252915967e+01 2.067067714e+01 2.823429514e+01 1.460290377e+01 2.040221376e+01 1.74 2.901963312e+01 1.948385810e+01 2.635527948e+01 2.902675794e+01 2.902582837e+01 1.201841130e+01 1.985400019e+01 2.714038694e+01 1.401106558e+01 1.960134851e+01 1.76 2.791004235e+01 1.871461778e+01 2.533407692e+01 2.791853670e+01 2.792100146e+01 1.153226829e+01 1.907727908e+01 2.609768062e+01 1.344603632e+01 1.883881861e+01 1.78 2.685108186e+01 1.798312639e+01 2.436052759e+01 2.686096187e+01 2.686716849e+01 1.106985659e+01 1.833896515e+01 2.510300679e+01 1.290610530e+01 1.811123892e+01 1.80 2.584097633e+01 1.728709912e+01 2.343295914e+01 2.585066938e+01 2.585936422e+01 1.063034166e+01 1.763586988e+01 2.415388393e+01 1.239035354e+01 1.741738428e+01 1.82 2.487802988e+01 1.662302840e+01 2.254977401e+01 2.488580875e+01 2.489557176e+01 1.021292630e+01 1.696522701e+01 2.324812996e+01 1.189794373e+01 1.675608429e+01 1.84 2.396028690e+01 1.598891622e+01 2.170914773e+01 2.396465407e+01 2.397417204e+01 9.816699762e+00 1.632579303e+01 2.238363299e+01 1.142807547e+01 1.612594129e+01 1.86 2.308190938e+01 1.538276191e+01 2.090580852e+01 2.308357095e+01 2.309229411e+01 9.439027619e+00 1.571564037e+01 2.155634393e+01 1.097952204e+01 1.552231209e+01 1.88 2.224027022e+01 1.480335522e+01 2.013734231e+01 2.224056137e+01 2.224817733e+01 9.078704224e+00 1.513275785e+01 2.076463693e+01 1.055104659e+01 1.494321960e+01 1.90 2.143415196e+01 1.424980786e+01 1.940259140e+01 2.143436143e+01 2.144056875e+01 8.735152079e+00 1.457551388e+01 2.000733128e+01 1.014197793e+01 1.438785232e+01 1.92 2.066238862e+01 1.372126908e+01 1.870044705e+01 2.066325762e+01 2.066776538e+01 8.407818124e+00 1.404201583e+01 1.928329620e+01 9.751141427e+00 1.385543301e+01 1.94 1.992386307e+01 1.321692370e+01 1.802984695e+01 1.992483773e+01 1.992736507e+01 8.096172466e+00 1.353059571e+01 1.859144826e+01 9.377557796e+00 1.334521693e+01 1.96 1.921723912e+01 1.273545968e+01 1.738871157e+01 1.921785447e+01 1.921826281e+01 7.798645948e+00 1.303916858e+01 1.793057205e+01 9.020670754e+00 1.285595953e+01 1.98 1.854090524e+01 1.227495841e+01 1.677372595e+01 1.854100863e+01 1.853946093e+01 7.512413072e+00 1.256684081e+01 1.729928190e+01 8.679946813e+00 1.238580691e+01 2.00 1.789388201e+01 1.183471255e+01 1.618397649e+01 1.789333710e+01 1.789000226e+01 7.237029801e+00 1.211301233e+01 1.669662621e+01 8.354874129e+00 1.193411378e+01 2.02 1.727525164e+01 1.141380274e+01 1.561867529e+01 1.727392660e+01 1.726896809e+01 6.972158938e+00 1.167709974e+01 1.612058919e+01 8.044961431e+00 1.150030525e+01 2.04 1.668413289e+01 1.101040204e+01 1.507706576e+01 1.668181761e+01 1.667539372e+01 6.717476670e+00 1.125820093e+01 1.556923930e+01 7.749637803e+00 1.108382925e+01 2.06 1.611967925e+01 1.062292400e+01 1.455842114e+01 1.611556593e+01 1.610782992e+01 6.472671917e+00 1.085560613e+01 1.504101085e+01 7.467846549e+00 1.068415545e+01 2.08 1.558106611e+01 1.024941769e+01 1.406204301e+01 1.557425574e+01 1.556535748e+01 6.237445714e+00 1.046882177e+01 1.453361119e+01 7.198366773e+00 1.030077416e+01 2.10 1.506406133e+01 9.889445091e+00 1.358725994e+01 1.505497737e+01 1.504549338e+01 6.011510630e+00 1.009737330e+01 1.404484028e+01 6.939963962e+00 9.933195391e+00 2.12 1.456530775e+01 9.542605483e+00 1.313342624e+01 1.455537815e+01 1.454620619e+01 5.794590223e+00 9.740804341e+00 1.357390999e+01 6.692305527e+00 9.580947890e+00 2.14 1.408427035e+01 9.208513283e+00 1.269955954e+01 1.407478862e+01 1.406670832e+01 5.586418521e+00 9.398669785e+00 1.312029638e+01 6.454876423e+00 9.243578266e+00 2.16 1.362043418e+01 8.886797357e+00 1.228286684e+01 1.361210255e+01 1.360531800e+01 5.386739535e+00 9.070238478e+00 1.268349514e+01 6.226862688e+00 8.920650158e+00 2.18 1.317330338e+01 8.577100350e+00 1.188247611e+01 1.316670910e+01 1.316132454e+01 5.195306799e+00 8.754882498e+00 1.226302072e+01 6.007964544e+00 8.611743453e+00 2.20 1.274240038e+01 8.279078056e+00 1.149717663e+01 1.273792724e+01 1.273404368e+01 5.011511604e+00 8.451539679e+00 1.185840543e+01 5.797920025e+00 8.316453541e+00 2.22 1.232726500e+01 7.992398826e+00 1.112459017e+01 1.232479787e+01 1.232251322e+01 4.834161621e+00 8.159670490e+00 1.146873653e+01 5.596476730e+00 8.034390611e+00 2.24 1.192745373e+01 7.716743001e+00 1.076425767e+01 1.192685485e+01 1.192626405e+01 4.663024206e+00 7.878951671e+00 1.109313579e+01 5.403391401e+00 7.765178993e+00 2.26 1.154230072e+01 7.451802385e+00 1.041583939e+01 1.154349583e+01 1.154469095e+01 4.497926520e+00 7.609071554e+00 1.073121114e+01 5.218339794e+00 7.507741871e+00 2.28 1.117078690e+01 7.197279736e+00 1.007900769e+01 1.117385722e+01 1.117692753e+01 4.338701858e+00 7.349729549e+00 1.038258440e+01 5.040603737e+00 7.259910023e+00 2.30 1.081250736e+01 6.952888292e+00 9.753446415e+00 1.081753951e+01 1.082257166e+01 4.185189380e+00 7.100635660e+00 1.004689074e+01 4.869693404e+00 7.021325509e+00 2.32 1.046710254e+01 6.718351311e+00 9.438850444e+00 1.047410872e+01 1.048111490e+01 4.037233862e+00 6.861510031e+00 9.723778054e+00 4.705006133e+00 6.791736518e+00 2.34 1.013422535e+01 6.493401649e+00 9.134925206e+00 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