# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2002--Albe-K-Nordlund-K-Averback-R-S--Pt-C # implementation = Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_002 # composition = C # 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 2024-11-27 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 1.541912766e+03 nan nan nan nan 0.62 nan nan nan nan nan 1.345912114e+03 nan nan 1.589081003e+03 nan 0.64 nan nan nan nan nan 1.160992525e+03 nan nan 1.407131746e+03 nan 0.66 nan nan nan nan nan 9.991893129e+02 nan nan 1.241502448e+03 nan 0.68 nan 1.580644685e+03 nan nan nan 8.690119453e+02 nan nan 1.089676738e+03 1.605988435e+03 0.70 nan 1.385497289e+03 nan nan nan 7.611347739e+02 1.436473013e+03 nan 9.533154950e+02 1.446267066e+03 0.72 nan 1.228545612e+03 nan nan nan 6.729781400e+02 1.285281537e+03 nan 8.312544941e+02 1.297619049e+03 0.74 nan 1.104791599e+03 1.581993441e+03 nan nan 5.926516389e+02 1.151706747e+03 nan 7.245406000e+02 1.154330583e+03 0.76 1.610967061e+03 9.956324992e+02 1.395663463e+03 1.607214467e+03 1.602339393e+03 5.195151535e+02 1.033020227e+03 1.489351666e+03 6.325026079e+02 1.022049450e+03 0.78 1.457612388e+03 8.877294040e+02 1.247365324e+03 1.445908545e+03 1.435113528e+03 4.558361570e+02 9.277500100e+02 1.339540279e+03 5.504939908e+02 8.991039150e+02 0.80 1.310173349e+03 7.838690764e+02 1.129510694e+03 1.297897076e+03 1.286008253e+03 4.040696186e+02 8.305082967e+02 1.200682153e+03 4.761696086e+02 7.848376346e+02 0.82 1.173980974e+03 6.888043670e+02 1.026921187e+03 1.164628411e+03 1.155275860e+03 3.597551033e+02 7.359196747e+02 1.075075032e+03 4.128102415e+02 6.859724147e+02 0.84 1.050738894e+03 6.066834363e+02 9.354899131e+02 1.046876461e+03 1.043014174e+03 3.215416263e+02 6.428789204e+02 9.629825609e+02 3.613367480e+02 5.988595235e+02 0.86 9.420440418e+02 5.400876184e+02 8.544348361e+02 9.440457720e+02 9.460494545e+02 2.897797367e+02 5.555158853e+02 8.638249861e+02 3.192164297e+02 5.227018383e+02 0.88 8.465544352e+02 4.855080525e+02 7.796966086e+02 8.531273717e+02 8.597041775e+02 2.633261779e+02 4.782344542e+02 7.757562906e+02 2.844493182e+02 4.593744088e+02 0.90 7.657119309e+02 4.377822766e+02 7.074370397e+02 7.743952405e+02 7.830823601e+02 2.386406764e+02 4.117098311e+02 6.996907374e+02 2.553123454e+02 4.112311767e+02 0.92 6.926983734e+02 3.933969122e+02 6.322389629e+02 7.009331641e+02 7.091707868e+02 2.125381918e+02 3.581357933e+02 6.314507753e+02 2.297298872e+02 3.695584429e+02 0.94 6.259621786e+02 3.491916417e+02 5.571401029e+02 6.321264768e+02 6.382924661e+02 1.860169538e+02 3.155372919e+02 5.709212101e+02 2.056173306e+02 3.315262051e+02 0.96 5.667564198e+02 3.057436904e+02 4.855666890e+02 5.696581462e+02 5.725603487e+02 1.603812708e+02 2.822021642e+02 5.177478469e+02 1.830347749e+02 2.978433197e+02 0.98 5.158296074e+02 2.635912770e+02 4.205766311e+02 5.148067616e+02 5.137832264e+02 1.367910002e+02 2.536252479e+02 4.696516010e+02 1.617460779e+02 2.689381696e+02 1.00 4.696566048e+02 2.243488437e+02 3.652905733e+02 4.651461222e+02 4.606341897e+02 1.163150119e+02 2.283333890e+02 4.210994073e+02 1.423049408e+02 2.436160353e+02 1.02 4.223514073e+02 1.883899007e+02 3.211800946e+02 4.162475594e+02 4.101422922e+02 9.994505559e+01 2.065072712e+02 3.721390735e+02 1.251915690e+02 2.192636480e+02 1.04 3.738471161e+02 1.565122621e+02 2.887474262e+02 3.685157148e+02 3.631835381e+02 8.834645505e+01 1.880237276e+02 3.240912922e+02 1.106614068e+02 1.953361114e+02 1.06 3.260967222e+02 1.309348016e+02 2.635625673e+02 3.230219282e+02 3.199470501e+02 7.905184093e+01 1.709085143e+02 2.787655992e+02 9.767410770e+01 1.725334857e+02 1.08 2.808025826e+02 1.126102605e+02 2.372366200e+02 2.798018729e+02 2.788013727e+02 6.827984562e+01 1.542933858e+02 2.379756923e+02 8.525196370e+01 1.515046731e+02 1.10 2.396556319e+02 9.819134972e+01 2.104623612e+02 2.403989259e+02 2.411422997e+02 5.664301317e+01 1.384385225e+02 2.038513273e+02 7.368464564e+01 1.328311157e+02 1.12 2.047025502e+02 8.717506365e+01 1.841331088e+02 2.066505945e+02 2.085983335e+02 4.472178111e+01 1.235997284e+02 1.781989460e+02 6.328333839e+01 1.169889069e+02 1.14 1.783093513e+02 7.790062348e+01 1.590933196e+02 1.805832993e+02 1.828566479e+02 3.294429425e+01 1.100074650e+02 1.599600033e+02 5.378035975e+01 1.042582804e+02 1.16 1.616909308e+02 7.007684073e+01 1.361896287e+02 1.632458756e+02 1.648003401e+02 2.168272349e+01 9.784866681e+01 1.462530212e+02 4.469884092e+01 9.453128700e+01 1.18 1.486036676e+02 6.312051941e+01 1.163207016e+02 1.493448527e+02 1.500857905e+02 1.151446386e+01 8.662021787e+01 1.332302482e+02 3.602945242e+01 8.615538723e+01 1.20 1.365223730e+02 5.677932847e+01 1.003719142e+02 1.367456734e+02 1.369688947e+02 3.543152115e+00 7.570011489e+01 1.209140322e+02 2.817169143e+01 7.849018723e+01 1.22 1.248268908e+02 5.100201063e+01 8.893300386e+01 1.248384756e+02 1.248500573e+02 -7.623625589e-01 6.544350320e+01 1.090392814e+02 2.146023383e+01 7.069358742e+01 1.24 1.128452359e+02 4.574143345e+01 8.090568795e+01 1.128497043e+02 1.128541728e+02 -1.899316222e+00 5.575475913e+01 9.728524036e+01 1.591773704e+01 6.188527289e+01 1.26 1.008465296e+02 4.095426463e+01 7.362169894e+01 1.008515432e+02 1.008565568e+02 -2.794223177e+00 4.653496584e+01 8.591547330e+01 1.091157245e+01 5.254192286e+01 1.28 8.910543294e+01 3.660067247e+01 6.692787076e+01 8.911053085e+01 8.911562876e+01 -3.579135849e+00 3.805914688e+01 7.518376718e+01 6.572436622e+00 4.310154836e+01 1.30 7.788562980e+01 3.264404959e+01 6.077895099e+01 7.789005931e+01 7.789448882e+01 -4.263822498e+00 3.057764257e+01 6.532205826e+01 3.111420722e+00 3.392364016e+01 1.32 6.743769703e+01 2.905075816e+01 5.513304678e+01 6.744062186e+01 6.744354670e+01 -4.857285362e+00 2.432186402e+01 5.653282834e+01 7.119036865e-01 2.529030151e+01 1.34 5.799781457e+01 2.578989492e+01 4.995138039e+01 5.799858253e+01 5.799935049e+01 -5.367816926e+00 1.948223409e+01 4.895320584e+01 -5.521250243e-01 1.744551957e+01 1.36 4.977893901e+01 2.283307447e+01 4.519806228e+01 4.977733457e+01 4.977573013e+01 -5.803052229e+00 1.614834441e+01 4.240632914e+01 -1.277519866e+00 1.066840355e+01 1.38 4.294688653e+01 2.015422952e+01 4.083988052e+01 4.294327107e+01 4.293965560e+01 -6.170017457e+00 1.382282481e+01 3.688093083e+01 -1.910959449e+00 5.335516827e+00 1.40 3.758191033e+01 1.764082393e+01 3.684610531e+01 3.757716633e+01 3.757242232e+01 -6.475175102e+00 1.146188311e+01 3.239681991e+01 -2.506433677e+00 1.868414209e+00 1.42 3.359940602e+01 1.496487991e+01 3.318830768e+01 3.359462847e+01 3.358985092e+01 -6.724465911e+00 9.067490356e+00 2.887585009e+01 -3.110296034e+00 4.154392305e-01 1.44 3.018747641e+01 1.220598225e+01 2.984019111e+01 3.018294899e+01 3.017842157e+01 -6.923347844e+00 6.707248714e+00 2.580298708e+01 -3.684314310e+00 -4.327248028e-01 1.46 2.705913399e+01 9.481722161e+00 2.677743542e+01 2.705484360e+01 2.705055321e+01 -7.076832262e+00 4.441688711e+00 2.299326073e+01 -4.192656034e+00 -1.184005542e+00 1.48 2.419286681e+01 6.893716650e+00 2.394018704e+01 2.418880105e+01 2.418473528e+01 -7.189517519e+00 2.325452497e+00 2.042620829e+01 -4.607735985e+00 -1.846807666e+00 1.50 2.156871243e+01 4.521011239e+00 2.098133101e+01 2.156485953e+01 2.156100663e+01 -7.265620150e+00 4.094410127e-01 1.808287488e+01 -4.913959510e+00 -2.428884224e+00 1.52 1.916814984e+01 2.417935318e+00 1.790519145e+01 1.916449866e+01 1.916084748e+01 -7.309003825e+00 -1.257660971e+00 1.594570613e+01 -5.109522360e+00 -2.937384183e+00 1.54 1.697399891e+01 5.191505171e-01 1.481372599e+01 1.697053888e+01 1.696707886e+01 -7.323206205e+00 -2.630501334e+00 1.399844815e+01 -5.205938819e+00 -3.378896641e+00 1.56 1.497032654e+01 -1.188379523e+00 1.179965915e+01 1.496704766e+01 1.496376879e+01 -7.311463871e+00 -3.672369240e+00 1.222605466e+01 -5.225184397e+00 -3.759491923e+00 1.58 1.314235935e+01 -2.590651182e+00 8.942537511e+00 1.313925214e+01 1.313614494e+01 -7.276735443e+00 -4.364318686e+00 1.061460044e+01 -5.194743142e+00 -4.084759780e+00 1.60 1.147640229e+01 -3.612372340e+00 6.307224068e+00 1.147345776e+01 1.147051323e+01 -7.221723025e+00 -4.714738084e+00 9.151200900e+00 -5.141476987e+00 -4.359844882e+00 1.62 9.959762801e+00 -4.229769456e+00 3.944636346e+00 9.956972433e+00 9.954182064e+00 -7.148892084e+00 -4.895539297e+00 7.823937298e+00 -5.085893905e+00 -4.589479800e+00 1.64 8.580680210e+00 -4.485055377e+00 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1.114730730e+00 -2.982652096e+00 -3.741616970e+00 1.113015836e+00 1.111300943e+00 -5.863850816e+00 -5.263390832e+00 -1.531332269e+00 -4.238587452e+00 -5.217431970e+00 1.78 -3.596720705e-01 -2.561293011e+00 -4.087685526e+00 -3.611555804e-01 -3.626390903e-01 -5.382792315e+00 -4.987803944e+00 -2.635032527e+00 -3.906175663e+00 -5.103257237e+00 1.80 -1.670212410e+00 -2.217365421e+00 -4.297455769e+00 -1.671453424e+00 -1.672694439e+00 -4.821100143e+00 -4.581615243e+00 -3.396311712e+00 -3.513328916e+00 -4.875602903e+00 1.82 -2.705174717e+00 -1.872664886e+00 -4.326316122e+00 -2.706171746e+00 -2.707168775e+00 -4.195918972e+00 -4.057264638e+00 -3.761283534e+00 -3.071015583e+00 -4.521774164e+00 1.84 -3.382325333e+00 -1.528163006e+00 -4.149430975e+00 -3.383086852e+00 -3.383848370e+00 -3.529466061e+00 -3.443750961e+00 -3.720976765e+00 -2.594397878e+00 -4.042605244e+00 1.86 -3.656958766e+00 -1.197418867e+00 -3.766093118e+00 -3.657503485e+00 -3.658048204e+00 -2.848449718e+00 -2.784766902e+00 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-1.845106767e-01 -6.261148824e-02 -6.256893475e-02 -6.254269855e-02 -4.694199993e-02 -9.347530483e-02 2.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 0.000000000e+00 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