# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Starikov-S-V-Lopanitsyna-N-Y-Smirnova-D-E-Makarov-S-V--Si-Au # implementation = 2018--Starikov-S-V--Si-Au--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 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 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 2.609102906e+02 nan 0.80 nan nan nan nan nan nan nan nan 2.330150423e+02 nan 0.82 nan nan nan nan nan nan nan nan 2.081652192e+02 nan 0.84 nan nan nan nan nan 1.630531990e+02 nan nan 1.860283925e+02 nan 0.86 nan nan nan nan nan 1.470861389e+02 nan nan 1.663817950e+02 nan 0.88 nan nan nan nan nan 1.328976763e+02 nan nan 1.490043537e+02 nan 0.90 nan nan nan nan nan 1.203431895e+02 nan nan 1.336440055e+02 nan 0.92 nan nan nan nan nan 1.090459989e+02 nan nan 1.199681777e+02 nan 0.94 nan nan nan 2.782505364e+02 2.783640844e+02 9.893208139e+01 nan nan 1.078611317e+02 1.677184972e+02 0.96 nan 1.482237727e+02 nan 2.535682019e+02 2.537369512e+02 8.965322991e+01 1.526336484e+02 nan 9.715418023e+01 1.514162822e+02 0.98 nan 1.336751244e+02 nan 2.312885224e+02 2.314737659e+02 8.111146279e+01 1.374180907e+02 nan 8.760977540e+01 1.367952120e+02 1.00 nan 1.204603116e+02 nan 2.110994238e+02 2.112610383e+02 7.329545833e+01 1.238420115e+02 nan 7.909460167e+01 1.237550021e+02 1.02 nan 1.083366514e+02 nan 1.924367115e+02 1.925794653e+02 6.621643711e+01 1.116944561e+02 nan 7.145832411e+01 1.120222039e+02 1.04 nan 9.729624331e+01 nan 1.755280008e+02 1.756098073e+02 5.978746318e+01 1.008257828e+02 nan 6.461085976e+01 1.016148882e+02 1.06 nan 8.727701361e+01 nan 1.599644190e+02 1.600055298e+02 5.392642999e+01 9.112631562e+01 1.449386034e+02 5.845700113e+01 9.223610720e+01 1.08 1.456312410e+02 7.823646949e+01 1.252823760e+02 1.456343130e+02 1.456494392e+02 4.847757690e+01 8.245178893e+01 1.315939147e+02 5.281681573e+01 8.375991841e+01 1.10 1.324772154e+02 7.010438828e+01 1.135212308e+02 1.324692564e+02 1.324775724e+02 4.363397459e+01 7.473408876e+01 1.193761305e+02 4.772809633e+01 7.611431128e+01 1.12 1.203900582e+02 6.280373497e+01 1.028603791e+02 1.203759243e+02 1.203594730e+02 3.918033055e+01 6.782046964e+01 1.082333695e+02 4.305561881e+01 6.920832503e+01 1.14 1.093696896e+02 5.627371214e+01 9.319439928e+01 1.093311013e+02 1.092872358e+02 3.506449374e+01 6.162471331e+01 9.811023423e+01 3.876281387e+01 6.292547729e+01 1.16 9.935073841e+01 5.042316452e+01 8.440130689e+01 9.928125155e+01 9.922038166e+01 3.125166422e+01 5.604540273e+01 8.893035230e+01 3.481427373e+01 5.722334240e+01 1.18 9.022349070e+01 4.520860576e+01 7.635349143e+01 9.013481556e+01 9.006182472e+01 2.771919382e+01 5.101519119e+01 8.058853102e+01 3.111373443e+01 5.208982335e+01 1.20 8.191702860e+01 4.057254740e+01 6.903486132e+01 8.181921424e+01 8.174038521e+01 2.447566872e+01 4.637416407e+01 7.304110439e+01 2.777056683e+01 4.741743359e+01 1.22 7.439162367e+01 3.646692102e+01 6.241470794e+01 7.429095203e+01 7.421804773e+01 2.153582050e+01 4.224634293e+01 6.620056886e+01 2.468208277e+01 4.311676526e+01 1.24 6.752452141e+01 3.279863150e+01 5.642105134e+01 6.746032756e+01 6.740281793e+01 1.888280737e+01 3.840587770e+01 5.998136883e+01 2.184092814e+01 3.904517099e+01 1.26 6.132807463e+01 2.952001235e+01 5.103925695e+01 6.132323242e+01 6.128699579e+01 1.650335384e+01 3.479511978e+01 5.439119735e+01 1.923419280e+01 3.532771664e+01 1.28 5.572957057e+01 2.658376978e+01 4.622218626e+01 5.576333703e+01 5.574938595e+01 1.438703571e+01 3.139679136e+01 4.935362344e+01 1.685181051e+01 3.190957087e+01 1.30 5.063756164e+01 2.397716640e+01 4.190752065e+01 5.069264024e+01 5.070232845e+01 1.253190901e+01 2.822478859e+01 4.478087131e+01 1.468793182e+01 2.875432640e+01 1.32 4.601461951e+01 2.167195808e+01 3.802909703e+01 4.606863054e+01 4.609483316e+01 1.091315997e+01 2.530789307e+01 4.062448104e+01 1.274081843e+01 2.582745993e+01 1.34 4.181738957e+01 1.961695236e+01 3.457560466e+01 4.185213915e+01 4.188097969e+01 9.519771867e+00 2.263583758e+01 3.685539292e+01 1.100238565e+01 2.308550553e+01 1.36 3.800444103e+01 1.777738672e+01 3.150341704e+01 3.800923102e+01 3.803466240e+01 8.331561596e+00 2.019162824e+01 3.343967333e+01 9.454870097e+00 2.049960423e+01 1.38 3.455145467e+01 1.611957132e+01 2.874990656e+01 3.452110206e+01 3.454197555e+01 7.315420799e+00 1.795078044e+01 3.034604282e+01 8.075661960e+00 1.808299141e+01 1.40 3.140644950e+01 1.460335404e+01 2.624565154e+01 3.136068784e+01 3.137868958e+01 6.425582661e+00 1.590097800e+01 2.754025480e+01 6.847845417e+00 1.584721680e+01 1.42 2.852869229e+01 1.321652546e+01 2.397021070e+01 2.849797303e+01 2.851273343e+01 5.640407662e+00 1.395955993e+01 2.499041869e+01 5.753827058e+00 1.380986497e+01 1.44 2.590397731e+01 1.187545517e+01 2.190294196e+01 2.590182690e+01 2.590941354e+01 4.942459027e+00 1.223031737e+01 2.268061019e+01 4.740987068e+00 1.197869232e+01 1.46 2.353233898e+01 1.069311373e+01 2.001665909e+01 2.354930716e+01 2.354684102e+01 4.333390153e+00 1.065156658e+01 2.058946140e+01 3.873658707e+00 1.034580354e+01 1.48 2.138689229e+01 9.562171897e+00 1.827006968e+01 2.141039464e+01 2.139962224e+01 3.800905004e+00 9.214071556e+00 1.868388204e+01 3.100641699e+00 8.884058037e+00 1.50 1.944400483e+01 8.469424249e+00 1.663118619e+01 1.946748621e+01 1.945532658e+01 3.325130491e+00 7.912454313e+00 1.693964780e+01 2.411760673e+00 7.569167935e+00 1.52 1.767144292e+01 7.427027961e+00 1.502530991e+01 1.769782959e+01 1.769366555e+01 2.896528446e+00 6.731211108e+00 1.533760508e+01 1.799209005e+00 6.375788286e+00 1.54 1.605899161e+01 6.435467532e+00 1.361339073e+01 1.608322370e+01 1.609163420e+01 2.516277803e+00 5.655756285e+00 1.387047276e+01 1.247929189e+00 5.309079996e+00 1.56 1.457714535e+01 5.486289275e+00 1.230026913e+01 1.460328512e+01 1.462515519e+01 2.179741479e+00 4.683232074e+00 1.252711213e+01 7.454820195e-01 4.364736402e+00 1.58 1.320491694e+01 4.493479601e+00 1.108556197e+01 1.323753381e+01 1.327052571e+01 1.889446735e+00 3.807612253e+00 1.129420609e+01 2.910676791e-01 3.544019790e+00 1.60 1.192614075e+01 3.604953869e+00 9.949128342e+00 1.197232645e+01 1.201531362e+01 1.638363117e+00 3.026756820e+00 1.016025939e+01 -1.138402713e-01 2.840840027e+00 1.62 1.074574807e+01 2.759156538e+00 8.866842986e+00 1.080115866e+01 1.084786114e+01 1.416896567e+00 2.330031388e+00 9.126958453e+00 -4.747061262e-01 2.236347637e+00 1.64 9.678478714e+00 1.958841840e+00 7.827290497e+00 9.724148408e+00 9.766522368e+00 1.214860893e+00 1.708728287e+00 8.186532812e+00 -7.951341288e-01 1.709353315e+00 1.66 8.719561414e+00 1.200022892e+00 6.834209508e+00 8.740261331e+00 8.772452457e+00 1.025426681e+00 1.129715918e+00 7.327645837e+00 -1.075157007e+00 1.237062331e+00 1.68 7.847372258e+00 4.782551782e-01 5.891612470e+00 7.838364988e+00 7.857607184e+00 8.438024426e-01 6.322347915e-01 6.537295396e+00 -1.313745737e+00 8.155233824e-01 1.70 7.041820981e+00 -2.084303455e-01 5.002691926e+00 7.013077266e+00 7.019637983e+00 6.638978573e-01 1.883435454e-01 5.771471321e+00 -1.513945725e+00 4.419024099e-01 1.72 6.285901342e+00 -8.459784069e-01 4.182596833e+00 6.256654314e+00 6.253014864e+00 4.909615981e-01 -2.080210751e-01 5.013470065e+00 -1.681311613e+00 1.080869282e-01 1.74 5.586228765e+00 -1.423819660e+00 3.439001221e+00 5.565955005e+00 5.554973341e+00 3.303102218e-01 -5.631950870e-01 4.347608547e+00 -1.823211792e+00 -1.854095015e-01 1.76 4.787204889e+00 -1.958183594e+00 2.653920228e+00 4.773411750e+00 4.756614960e+00 1.241801743e-01 -9.408459144e-01 3.654350985e+00 -1.981705900e+00 -5.200764725e-01 1.78 4.160139247e+00 -2.421685016e+00 1.998187998e+00 4.148461082e+00 4.126713004e+00 -4.060250294e-02 -1.257340013e+00 3.020685391e+00 -2.091205760e+00 -7.612768831e-01 1.80 3.536371370e+00 -2.843622714e+00 1.349824826e+00 3.523692094e+00 3.496996278e+00 -2.227711091e-01 -1.572966943e+00 2.391409548e+00 -2.195212312e+00 -9.943861876e-01 1.82 2.919407219e+00 -3.230726468e+00 7.127520473e-01 2.898425300e+00 2.864518729e+00 -4.223781973e-01 -1.883153063e+00 1.761919537e+00 -2.295356944e+00 -1.220199033e+00 1.84 2.305557937e+00 -3.588291613e+00 1.020759341e-01 2.275907089e+00 2.235748101e+00 -6.307751633e-01 -2.178287206e+00 1.130902229e+00 -2.389020092e+00 -1.442247317e+00 1.86 1.690013580e+00 -3.917662359e+00 -4.772425787e-01 1.657328468e+00 1.614722368e+00 -8.436371803e-01 -2.454732926e+00 5.042403573e-01 -2.475943701e+00 -1.664476584e+00 1.88 1.070625397e+00 -4.214628194e+00 -1.026713803e+00 1.042268600e+00 1.002497204e+00 -1.059530232e+00 -2.711245882e+00 -1.131608091e-01 -2.559518230e+00 -1.887975833e+00 1.90 4.539053016e-01 -4.474196071e+00 -1.547213263e+00 4.343796698e-01 4.026389952e-01 -1.277021622e+00 -2.948285762e+00 -7.145525929e-01 -2.643545587e+00 -2.104074458e+00 1.92 -1.571646636e-01 -4.693562067e+00 -2.036648581e+00 -1.651081264e-01 -1.841211581e-01 -1.491908801e+00 -3.165788903e+00 -1.294346966e+00 -2.730038158e+00 -2.310559622e+00 1.94 -7.561556210e-01 -4.871354255e+00 -2.493467757e+00 -7.532755082e-01 -7.577493957e-01 -1.700341467e+00 -3.364619239e+00 -1.847808073e+00 -2.815289392e+00 -2.506564480e+00 1.96 -1.336906193e+00 -5.009029390e+00 -2.917684249e+00 -1.323255155e+00 -1.314429956e+00 -1.900462467e+00 -3.544516962e+00 -2.368909952e+00 -2.895687134e+00 -2.692546183e+00 1.98 -1.887319304e+00 -5.110049270e+00 -3.307155092e+00 -1.867217769e+00 -1.848723762e+00 -2.130214010e+00 -3.705249224e+00 -2.849463913e+00 -2.967771564e+00 -2.863298907e+00 2.00 -2.398190497e+00 -5.179779821e+00 -3.663064744e+00 -2.379188929e+00 -2.355855373e+00 -2.445279825e+00 -3.847794632e+00 -3.285363823e+00 -3.028475843e+00 -3.015615192e+00 2.02 -2.868033011e+00 -5.223233494e+00 -3.986576980e+00 -2.852942500e+00 -2.826534420e+00 -2.731825153e+00 -3.971652313e+00 -3.679195253e+00 -3.078008786e+00 -3.152836378e+00 2.04 -3.297765619e+00 -5.239408314e+00 -4.277303283e+00 -3.285145921e+00 -3.255967604e+00 -2.987159429e+00 -4.070206092e+00 -4.032951645e+00 -3.117322752e+00 -3.278138631e+00 2.06 -3.690233484e+00 -5.229521198e+00 -4.534865338e+00 -3.675079536e+00 -3.642866720e+00 -3.222039159e+00 -4.143898496e+00 -4.350399857e+00 -3.148153330e+00 -3.394790166e+00 2.08 -4.047093151e+00 -5.195601732e+00 -4.758100202e+00 -4.025071430e+00 -3.989881127e+00 -3.446410856e+00 -4.195447108e+00 -4.631042362e+00 -3.173605621e+00 -3.502345249e+00 2.10 -4.361513617e+00 -5.138791570e+00 -4.939767106e+00 -4.333879677e+00 -4.297943496e+00 -3.660599116e+00 -4.225756533e+00 -4.871697027e+00 -3.284907285e+00 -3.592208669e+00 2.12 -4.635575832e+00 -5.062198024e+00 -5.082854369e+00 -4.604595485e+00 -4.570559487e+00 -3.853167731e+00 -4.239598551e+00 -5.072919805e+00 -3.427154917e+00 -3.664063696e+00 2.14 -4.872155002e+00 -4.969493425e+00 -5.193336446e+00 -4.840724456e+00 -4.810819086e+00 -4.014084288e+00 -4.240537733e+00 -5.235163339e+00 -3.544987679e+00 -3.719615660e+00 2.16 -5.072117301e+00 -4.864493469e+00 -5.277952502e+00 -5.043609100e+00 -5.019569836e+00 -4.146424357e+00 -4.229932453e+00 -5.358702602e+00 -3.644338079e+00 -3.761153322e+00 2.18 -5.235919318e+00 -4.750759647e+00 -5.343201061e+00 -5.211217038e+00 -5.194334785e+00 -4.257209782e+00 -4.209078498e+00 -5.445571790e+00 -3.736779752e+00 -3.791067975e+00 2.20 -5.364079024e+00 -4.631729163e+00 -5.393117529e+00 -5.343925572e+00 -5.334894272e+00 -4.351198820e+00 -4.178092696e+00 -5.498759816e+00 -3.831104314e+00 -3.812190940e+00 2.22 -5.455606142e+00 -4.507963668e+00 -5.423589660e+00 -5.442083378e+00 -5.441625683e+00 -4.429855122e+00 -4.138129603e+00 -5.521606150e+00 -3.923907326e+00 -3.824466300e+00 2.24 -5.511147264e+00 -4.382921299e+00 -5.434354312e+00 -5.507140178e+00 -5.515423150e+00 -4.493942643e+00 -4.090851702e+00 -5.520033202e+00 -4.005190739e+00 -3.829988621e+00 2.26 -5.535310895e+00 -4.260576222e+00 -5.425377956e+00 -5.542945932e+00 -5.559204545e+00 -4.544466792e+00 -4.037646729e+00 -5.500927248e+00 -4.067122476e+00 -3.831170066e+00 2.28 -5.534677231e+00 -4.141974493e+00 -5.396016206e+00 -5.554395144e+00 -5.577059315e+00 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