# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2008--Chenoweth-K-van-Duin-A-C-T-Goddard-W-A--C-H-O # implementation = 2008--Chenoweth-K--C-H-O--LAMMPS--ipr1 # composition = CH3 # 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 1.296902292e+01 nan nan 1.56 1.161298345e+01 nan nan 1.58 1.022624848e+01 nan nan 1.60 8.725445803e+00 nan nan 1.62 6.752261161e+00 nan nan 1.64 3.567432524e+00 nan nan 1.66 -2.035045566e+00 nan nan 1.68 -1.078136546e+01 1.266324888e+01 nan 1.70 -2.027977718e+01 1.135643266e+01 nan 1.72 -2.586231566e+01 9.798582030e+00 1.382050473e+01 1.74 -2.649626981e+01 7.279252541e+00 1.257050375e+01 1.76 -2.432817434e+01 3.615962168e+00 1.129587680e+01 1.78 -2.109594788e+01 3.794954818e-01 9.848774037e+00 1.80 -1.768977790e+01 -2.254194609e+00 7.615934829e+00 1.82 -1.448609985e+01 -5.735454795e+00 4.788284408e+00 1.84 -1.163193087e+01 -1.055218542e+01 -3.477902354e-01 1.86 -9.174818160e+00 -1.605886757e+01 -8.701052271e+00 1.88 -7.115789851e+00 -2.034615778e+01 -1.870146650e+01 1.90 -5.432003256e+00 -2.205971376e+01 -2.610109566e+01 1.92 -4.087848292e+00 -2.145264930e+01 -2.861302862e+01 1.94 -3.041351695e+00 -1.952292250e+01 -2.746308866e+01 1.96 -2.248372218e+00 -1.708139420e+01 -2.459465771e+01 1.98 -1.665526564e+00 -1.457611750e+01 -2.119877419e+01 2.00 -1.252337324e+00 -1.222995879e+01 -1.781450313e+01 2.02 -9.719988779e-01 -1.015008095e+01 -1.468327089e+01 2.04 -7.932184107e-01 -8.313517106e+00 -1.189517405e+01 2.06 -6.894167975e-01 -6.726795071e+00 -9.475548896e+00 2.08 -7.383124291e-01 -5.381520049e+00 -7.418674846e+00 2.10 -7.961242980e-01 -4.261352453e+00 -5.703001553e+00 2.12 -8.753875689e-01 -3.407969156e+00 -4.390235967e+00 2.14 -9.460102565e-01 -2.722724500e+00 -3.335863530e+00 2.16 -1.008033932e+00 -2.183271538e+00 -2.505459787e+00 2.18 -1.062235777e+00 -1.769176497e+00 -1.867566014e+00 2.20 -1.109327046e+00 -1.460588590e+00 -1.391751836e+00 2.22 -1.149957754e+00 -1.238838870e+00 -1.049477332e+00 2.24 -1.184721384e+00 -1.086937291e+00 -8.147810601e-01 2.26 -1.214159642e+00 -9.895929213e-01 -6.644245711e-01 2.28 -1.238768926e+00 -9.338938399e-01 -5.786353457e-01 2.30 -1.259005576e+00 -9.088140074e-01 -5.406201737e-01 2.32 -1.275288052e+00 -9.562238670e-01 -6.129722880e-01 2.34 -1.288000014e+00 -1.015768398e+00 -7.049780185e-01 2.36 -1.297493939e+00 -1.068333806e+00 -7.877924996e-01 2.38 -1.304093795e+00 -1.114503062e+00 -8.621262312e-01 2.40 -1.308097467e+00 -1.154816895e+00 -9.286383968e-01 2.42 -1.309779066e+00 -1.189776966e+00 -9.879424507e-01 2.44 -1.309390538e+00 -1.219848596e+00 -1.040609521e+00 2.46 -1.307162092e+00 -1.245462305e+00 -1.087170773e+00 2.48 -1.303303818e+00 -1.267014755e+00 -1.128119027e+00 2.50 -1.298007373e+00 -1.284871022e+00 -1.163911266e+00 2.52 -1.291447511e+00 -1.299367040e+00 -1.194971256e+00 2.54 -1.283783729e+00 -1.310812236e+00 -1.221692554e+00 2.56 -1.275161810e+00 -1.319491969e+00 -1.244441300e+00 2.58 -1.265715250e+00 -1.325669402e+00 -1.263558240e+00 2.60 -1.255565962e+00 -1.329587186e+00 -1.279360492e+00 2.62 -1.244824602e+00 -1.331469014e+00 -1.292142623e+00 2.64 -1.233591418e+00 -1.331520976e+00 -1.302177504e+00 2.66 -1.221957116e+00 -1.329932616e+00 -1.309717750e+00 2.68 -1.210003648e+00 -1.326877735e+00 -1.314997146e+00 2.70 -1.197804944e+00 -1.322515158e+00 -1.318231982e+00 2.72 -1.185427588e+00 -1.316989783e+00 -1.319622291e+00 2.74 -1.172931454e+00 -1.310433582e+00 -1.319353016e+00 2.76 -1.160370452e+00 -1.302966628e+00 -1.317595091e+00 2.78 -1.147793016e+00 -1.294698709e+00 -1.314506455e+00 2.80 -1.135242112e+00 -1.285730754e+00 -1.310232841e+00 2.82 -1.122755636e+00 -1.276155575e+00 -1.304907907e+00 2.84 -1.110366875e+00 -1.266058514e+00 -1.298653753e+00 2.86 -1.098104906e+00 -1.255518039e+00 -1.291581744e+00 2.88 -1.085994956e+00 -1.244606303e+00 -1.283793282e+00 2.90 -1.074058742e+00 -1.233389656e+00 -1.275380525e+00 2.92 -1.062314845e+00 -1.221929064e+00 -1.266427309e+00 2.94 -1.050779156e+00 -1.210280426e+00 -1.257010325e+00 2.96 -1.039465153e+00 -1.198494766e+00 -1.247199765e+00 2.98 -1.028384156e+00 -1.186618141e+00 -1.237059796e+00 3.00 -1.017545585e+00 -1.174691913e+00 -1.226649006e+00 3.02 -1.006956942e+00 -1.162753106e+00 -1.216020815e+00 3.04 -9.966237685e-01 -1.150834750e+00 -1.205223830e+00 3.06 -9.865500520e-01 -1.138966190e+00 -1.194302053e+00 3.08 -9.767385251e-01 -1.127173384e+00 -1.183295126e+00 3.10 -9.671907974e-01 -1.115479320e+00 -1.172238629e+00 3.12 -9.579074677e-01 -1.103904445e+00 -1.161164361e+00 3.14 -9.488882262e-01 -1.092466898e+00 -1.150100595e+00 3.16 -9.401319473e-01 -1.081182709e+00 -1.139072310e+00 3.18 -9.316367738e-01 -1.070065976e+00 -1.128101423e+00 3.20 -9.234001932e-01 -1.059129034e+00 -1.117207227e+00 3.22 -9.154191057e-01 -1.048382603e+00 -1.106406888e+00 3.24 -9.076898868e-01 -1.037835932e+00 -1.095715656e+00 3.26 -9.002084443e-01 -1.027496924e+00 -1.085147040e+00 3.28 -8.929703074e-01 -1.017372256e+00 -1.074712955e+00 3.30 -8.859707359e-01 -1.007467482e+00 -1.064423878e+00 3.32 -8.792047471e-01 -9.977871396e-01 -1.054288979e+00 3.34 -8.726670893e-01 -9.883348327e-01 -1.044316256e+00 3.36 -8.663522640e-01 -9.791132892e-01 -1.034512623e+00 3.38 -8.602545788e-01 -9.701243000e-01 -1.024883885e+00 3.40 -8.543681867e-01 -9.613687307e-01 -1.015434778e+00 3.42 -8.486871101e-01 -9.528465924e-01 -1.006169057e+00 3.44 -8.432052624e-01 -9.445571084e-01 -9.970895860e-01 3.46 -8.379164672e-01 -9.364987735e-01 -9.881984167e-01 3.48 -8.328144758e-01 -9.286694085e-01 -9.794968667e-01 3.50 -8.278929821e-01 -9.210662074e-01 -9.709855878e-01 3.52 -8.231456373e-01 -9.136857800e-01 -9.626646308e-01 3.54 -8.185660617e-01 -9.065241889e-01 -9.545335067e-01 3.56 -8.141478717e-01 -8.995770136e-01 -9.465912501e-01 3.58 -8.098847787e-01 -8.928395621e-01 -9.388365212e-01 3.60 -8.057706573e-01 -8.863070131e-01 -9.312676849e-01 3.62 -8.017995627e-01 -8.799744502e-01 -9.238828585e-01 3.64 -7.979657442e-01 -8.738368887e-01 -9.166799537e-01 3.66 -7.942636588e-01 -8.678893016e-01 -9.096567163e-01 3.68 -7.906879907e-01 -8.621266440e-01 -9.028107613e-01 3.70 -7.872336908e-01 -8.565438757e-01 -8.961396064e-01 3.72 -7.838959987e-01 -8.511359826e-01 -8.896407015e-01 3.74 -7.806704299e-01 -8.458979968e-01 -8.833114559e-01 3.76 -7.775526737e-01 -8.408250151e-01 -8.771492628e-01 3.78 -7.745385394e-01 -8.359122164e-01 -8.711515218e-01 3.80 -7.716239577e-01 -8.311548774e-01 -8.653156505e-01 3.82 -7.688049830e-01 -8.265483870e-01 -8.596390239e-01 3.84 -7.660777945e-01 -8.220882599e-01 -8.541189132e-01 3.86 -7.634386977e-01 -8.177701480e-01 -8.487524935e-01 3.88 -7.608841253e-01 -8.135898509e-01 -8.435368571e-01 3.90 -7.584106371e-01 -8.095433165e-01 -8.384690247e-01 3.92 -7.560149207e-01 -8.056266086e-01 -8.335459565e-01 3.94 -7.536937905e-01 -8.018358944e-01 -8.287645619e-01 3.96 -7.514441876e-01 -7.981674484e-01 -8.241217085e-01 3.98 -7.492631782e-01 -7.946176564e-01 -8.196142299e-01 4.00 -7.471479531e-01 -7.911830107e-01 -8.152389334e-01 4.02 -7.450958258e-01 -7.878600752e-01 -8.109926066e-01 4.04 -7.431042305e-01 -7.846454680e-01 -8.068720233e-01 4.06 -7.411707209e-01 -7.815358627e-01 -8.028739489e-01 4.08 -7.392929674e-01 -7.785279886e-01 -7.989951452e-01 4.10 -7.374687550e-01 -7.756186325e-01 -7.952323766e-01 4.12 -7.356959809e-01 -7.728046385e-01 -7.915824350e-01 4.14 -7.339726515e-01 -7.700829081e-01 -7.880421722e-01 4.16 -7.322968799e-01 -7.674504004e-01 -7.846085059e-01 4.18 -7.306668829e-01 -7.649041320e-01 -7.812784223e-01 4.20 -7.290809782e-01 -7.624411758e-01 -7.780489775e-01 4.22 -7.275375808e-01 -7.600586611e-01 -7.749172991e-01 4.24 -7.260352002e-01 -7.577537723e-01 -7.718805879e-01 4.26 -7.245724373e-01 -7.555237483e-01 -7.689361180e-01 4.28 -7.231479810e-01 -7.533658811e-01 -7.660812381e-01 4.30 -7.217606088e-01 -7.512775151e-01 -7.633133716e-01 4.32 -7.204091889e-01 -7.492560457e-01 -7.606300166e-01 4.34 -7.190926778e-01 -7.472989183e-01 -7.580287464e-01 4.36 -7.178101169e-01 -7.454036328e-01 -7.555072088e-01 4.38 -7.165606279e-01 -7.435677621e-01 -7.530631259e-01 4.40 -7.153433916e-01 -7.417889571e-01 -7.506942939e-01 4.42 -7.141576156e-01 -7.400649460e-01 -7.483985821e-01 4.44 -7.130025273e-01 -7.383935327e-01 -7.461739325e-01 4.46 -7.118773722e-01 -7.367725961e-01 -7.440183587e-01 4.48 -7.107814123e-01 -7.352000891e-01 -7.419299455e-01 4.50 -7.097139260e-01 -7.336740366e-01 -7.399068425e-01 4.52 -7.086742108e-01 -7.321925350e-01 -7.379472447e-01 4.54 -7.076615843e-01 -7.307537509e-01 -7.360493831e-01 4.56 -7.066753826e-01 -7.293559194e-01 -7.342115246e-01 4.58 -7.057149593e-01 -7.279973432e-01 -7.324319709e-01 4.60 -7.047796844e-01 -7.266763913e-01 -7.307090581e-01 4.62 -7.038689433e-01 -7.253914974e-01 -7.290411561e-01 4.64 -7.029821355e-01 -7.241411590e-01 -7.274266675e-01 4.66 -7.021186745e-01 -7.229239359e-01 -7.258640272e-01 4.68 -7.012779862e-01 -7.217384491e-01 -7.243517015e-01 4.70 -7.004595086e-01 -7.205833790e-01 -7.228881874e-01 4.72 -6.996626911e-01 -7.194574647e-01 -7.214720118e-01 4.74 -6.988869938e-01 -7.183595024e-01 -7.201017305e-01 4.76 -6.981318869e-01 -7.172883442e-01 -7.187759274e-01 4.78 -6.973968500e-01 -7.162428968e-01 -7.174932137e-01 4.80 -6.966813718e-01 -7.152221200e-01 -7.162522272e-01 4.82 -6.959849496e-01 -7.142250260e-01 -7.150516309e-01 4.84 -6.953070886e-01 -7.132506776e-01 -7.138901125e-01 4.86 -6.946473016e-01 -7.122981870e-01 -7.127663833e-01 4.88 -6.940051086e-01 -7.113667148e-01 -7.116791774e-01 4.90 -6.933800365e-01 -7.104554686e-01 -7.106272506e-01 4.92 -6.927716182e-01 -7.095637018e-01 -7.096093795e-01 4.94 -6.921793929e-01 -7.086907123e-01 -7.086243603e-01 4.96 -6.916029051e-01 -7.078358413e-01 -7.076710084e-01 4.98 -6.910417047e-01 -7.069984722e-01 -7.067481570e-01 5.00 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