# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2005--Erhart-P-Albe-K--Si-C-I # implementation = Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_004 # composition = C3Si # 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 2022-10-04 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 1.384698631e+03 nan nan 0.66 1.231674806e+03 nan nan 0.68 1.097994273e+03 nan nan 0.70 9.801492051e+02 1.369400847e+03 nan 0.72 8.765923138e+02 1.230372707e+03 1.371301972e+03 0.74 7.853205005e+02 1.108317301e+03 1.238029294e+03 0.76 7.051954090e+02 9.995970522e+02 1.118363287e+03 0.78 6.352747391e+02 9.019436232e+02 1.011082188e+03 0.80 5.732926474e+02 8.143889751e+02 9.150038916e+02 0.82 5.173748980e+02 7.367563309e+02 8.296374767e+02 0.84 4.661069226e+02 6.679756232e+02 7.535293120e+02 0.86 4.193232928e+02 6.068842824e+02 6.844891709e+02 0.88 3.771595610e+02 5.518712623e+02 6.213902154e+02 0.90 3.396481921e+02 5.016274942e+02 5.638235232e+02 0.92 3.063850745e+02 4.559178290e+02 5.119622401e+02 0.94 2.769437046e+02 4.144174903e+02 4.657884501e+02 0.96 2.508987919e+02 3.766163929e+02 4.246102713e+02 0.98 2.273515239e+02 3.419532186e+02 3.878329568e+02 1.00 2.054119712e+02 3.102981262e+02 3.544943559e+02 1.02 1.849072599e+02 2.818730881e+02 3.236990395e+02 1.04 1.659770267e+02 2.565352413e+02 2.955037059e+02 1.06 1.486601508e+02 2.338329121e+02 2.699050798e+02 1.08 1.328528695e+02 2.133045713e+02 2.466972580e+02 1.10 1.185020428e+02 1.948158971e+02 2.252543112e+02 1.12 1.057853653e+02 1.782464004e+02 2.053668774e+02 1.14 9.511292966e+01 1.632544242e+02 1.870615911e+02 1.16 8.625215460e+01 1.491746182e+02 1.703979322e+02 1.18 7.826848105e+01 1.356806649e+02 1.552868427e+02 1.20 7.098567787e+01 1.228041980e+02 1.415647812e+02 1.22 6.434268104e+01 1.106305711e+02 1.292979303e+02 1.24 5.820538747e+01 9.920698877e+01 1.184846091e+02 1.26 5.247140889e+01 8.858201397e+01 1.088382451e+02 1.28 4.713918704e+01 7.888358951e+01 9.992777289e+01 1.30 4.220459497e+01 7.034757432e+01 9.150294921e+01 1.32 3.766100461e+01 6.316423477e+01 8.352745305e+01 1.34 3.350069335e+01 5.703556568e+01 7.594157915e+01 1.36 2.968465064e+01 5.179256965e+01 6.870287099e+01 1.38 2.618774623e+01 4.713887788e+01 6.178922890e+01 1.40 2.302789187e+01 4.286107616e+01 5.523679121e+01 1.42 2.022836671e+01 3.892983929e+01 4.906986194e+01 1.44 1.781240120e+01 3.531811426e+01 4.332904182e+01 1.46 1.573177589e+01 3.200094323e+01 3.812308976e+01 1.48 1.389287850e+01 2.895530037e+01 3.365969947e+01 1.50 1.224876425e+01 2.615994162e+01 3.006053256e+01 1.52 1.074807813e+01 2.359526623e+01 2.713142550e+01 1.54 9.337101823e+00 2.124318916e+01 2.453609010e+01 1.56 7.999817260e+00 1.908702356e+01 2.214666079e+01 1.58 6.703582177e+00 1.711137239e+01 1.994779294e+01 1.60 5.458362153e+00 1.530202854e+01 1.792527809e+01 1.62 4.270899069e+00 1.363268750e+01 1.606594246e+01 1.64 3.140230621e+00 1.207625540e+01 1.435757198e+01 1.66 2.060777782e+00 1.059546498e+01 1.278884275e+01 1.68 1.030061805e+00 9.159508029e+00 1.134925657e+01 1.70 6.330942288e-02 7.785152200e+00 1.002908115e+01 1.72 -7.911036013e-01 6.485963863e+00 8.819294711e+00 1.74 -1.454592500e+00 5.271981477e+00 7.711534492e+00 1.76 -1.823652770e+00 4.151904442e+00 6.698049117e+00 1.78 -2.068359576e+00 3.136670902e+00 5.771654338e+00 1.80 -2.281041775e+00 2.242122223e+00 4.925692009e+00 1.82 -2.464557041e+00 1.484943977e+00 4.153992030e+00 1.84 -2.621536013e+00 8.528119376e-01 3.450837042e+00 1.86 -2.755222079e+00 3.587291288e-01 2.807629596e+00 1.88 -2.872041538e+00 -3.505076874e-02 2.203373569e+00 1.90 -2.973847029e+00 -3.890841309e-01 1.637991548e+00 1.92 -3.062909533e+00 -7.110358854e-01 1.099978730e+00 1.94 -3.142621658e+00 -1.013657085e+00 5.895158001e-01 1.96 -3.217187709e+00 -1.299770894e+00 1.109103294e-01 1.98 -3.288459689e+00 -1.574357378e+00 -3.355621244e-01 2.00 -3.344652322e+00 -1.844990630e+00 -7.543148707e-01 2.02 -3.376115585e+00 -2.121316937e+00 -1.154775489e+00 2.04 -3.373093644e+00 -2.413706019e+00 -1.551127570e+00 2.06 -3.324885070e+00 -2.730104697e+00 -1.960421525e+00 2.08 -3.220160942e+00 -3.069267677e+00 -2.396051979e+00 2.10 -3.048427777e+00 -3.408318633e+00 -2.851651829e+00 2.12 -2.803652984e+00 -3.687841283e+00 -3.278223132e+00 2.14 -2.490250470e+00 -3.817482096e+00 -3.555451107e+00 2.16 -2.130905165e+00 -3.764025846e+00 -3.605319659e+00 2.18 -1.762926033e+00 -3.682963744e+00 -3.611441884e+00 2.20 -1.399782084e+00 -3.604247034e+00 -3.609044591e+00 2.22 -1.052304949e+00 -3.517928751e+00 -3.590520133e+00 2.24 -7.321486358e-01 -3.413277040e+00 -3.546432238e+00 2.26 -4.521695604e-01 -3.291071832e+00 -3.475077720e+00 2.28 -2.270128726e-01 -3.143103296e+00 -3.375158874e+00 2.30 -7.279916789e-02 -2.969000929e+00 -3.245934523e+00 2.32 -3.371678212e-03 -2.771119542e+00 -3.087348594e+00 2.34 0.000000000e+00 -2.552354870e+00 -2.900136651e+00 2.36 0.000000000e+00 -2.316148132e+00 -2.685911880e+00 2.38 0.000000000e+00 -2.066475163e+00 -2.447232631e+00 2.40 0.000000000e+00 -1.807822030e+00 -2.187653673e+00 2.42 0.000000000e+00 -1.545151232e+00 -1.911763202e+00 2.44 0.000000000e+00 -1.283865494e+00 -1.625208296e+00 2.46 0.000000000e+00 -1.029778653e+00 -1.334714924e+00 2.48 0.000000000e+00 -7.891019469e-01 -1.048117893e+00 2.50 0.000000000e+00 -5.684410738e-01 -7.744316762e-01 2.52 0.000000000e+00 -3.747607096e-01 -5.239976342e-01 2.54 0.000000000e+00 -2.151972992e-01 -3.086620780e-01 2.56 0.000000000e+00 -9.651312163e-02 -1.416049361e-01 2.58 0.000000000e+00 -2.400530336e-02 -3.579518343e-02 2.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.00 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0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 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