# 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 = Au # 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 6.589853889e+02 nan 0.80 nan nan nan nan nan nan nan nan 6.004437086e+02 nan 0.82 nan nan nan nan nan nan nan nan 5.478007750e+02 nan 0.84 nan nan nan nan nan 4.287888126e+02 nan nan 5.002479128e+02 nan 0.86 nan nan nan nan nan 3.935409750e+02 nan nan 4.574178020e+02 nan 0.88 nan nan nan nan nan 3.619387033e+02 nan nan 4.189108553e+02 nan 0.90 nan nan nan nan nan 3.335984405e+02 nan nan 3.843358568e+02 nan 0.92 nan nan nan nan nan 3.075892293e+02 nan nan 3.531089760e+02 nan 0.94 nan nan nan 7.138469468e+02 7.141764437e+02 2.842670143e+02 nan nan 3.250232806e+02 4.672348901e+02 0.96 nan 4.322805301e+02 nan 6.622363129e+02 6.627210706e+02 2.627341957e+02 4.379813393e+02 nan 2.997057026e+02 4.310958202e+02 0.98 nan 3.993687040e+02 nan 6.150389403e+02 6.155343193e+02 2.428340432e+02 4.037820150e+02 nan 2.766211844e+02 3.983076831e+02 1.00 nan 3.691166279e+02 nan 5.718081281e+02 5.721901905e+02 2.244491344e+02 3.727726754e+02 nan 2.556719029e+02 3.685680801e+02 1.02 nan 3.409541836e+02 nan 5.311874427e+02 5.315026001e+02 2.074854796e+02 3.445964050e+02 nan 2.364964354e+02 3.412237547e+02 1.04 nan 3.148872046e+02 nan 4.943057958e+02 4.944212876e+02 1.918517192e+02 3.189890497e+02 nan 2.189565630e+02 3.165546881e+02 1.06 nan 2.907552259e+02 nan 4.599322821e+02 4.598979010e+02 1.774753069e+02 2.957273044e+02 4.264224259e+02 2.029235386e+02 2.939159702e+02 1.08 4.280144576e+02 2.684891485e+02 3.814811582e+02 4.278771379e+02 4.277245636e+02 1.637672204e+02 2.743887292e+02 3.962207535e+02 1.879761163e+02 2.730998926e+02 1.10 3.982611493e+02 2.480407506e+02 3.545057248e+02 3.980797474e+02 3.979074760e+02 1.514902253e+02 2.550674003e+02 3.681329102e+02 1.744062499e+02 2.539333104e+02 1.12 3.705473848e+02 2.293254120e+02 3.295620159e+02 3.703598218e+02 3.701957216e+02 1.399830031e+02 2.373788893e+02 3.420629284e+02 1.618109310e+02 2.362779525e+02 1.14 3.447848020e+02 2.122413010e+02 3.064757278e+02 3.446208126e+02 3.444829843e+02 1.292007948e+02 2.211496947e+02 3.179518825e+02 1.501251522e+02 2.200111649e+02 1.16 3.209047819e+02 1.966684730e+02 2.850811973e+02 3.207882317e+02 3.206905605e+02 1.191041495e+02 2.062203664e+02 2.957325450e+02 1.392944609e+02 2.050278684e+02 1.18 2.988433701e+02 1.824745791e+02 2.652440927e+02 2.987864628e+02 2.987347086e+02 1.096686774e+02 1.924602341e+02 2.752179643e+02 1.289864404e+02 1.912318416e+02 1.20 2.785363622e+02 1.695429312e+02 2.468700220e+02 2.785360202e+02 2.785264806e+02 1.008848468e+02 1.793724564e+02 2.564324942e+02 1.195874011e+02 1.785210345e+02 1.22 2.598762373e+02 1.577593920e+02 2.298795331e+02 2.599125274e+02 2.599299510e+02 9.274838556e+01 1.675592884e+02 2.391611715e+02 1.107631000e+02 1.668014043e+02 1.24 2.425478847e+02 1.470007692e+02 2.141921565e+02 2.425967674e+02 2.426231852e+02 8.525199618e+01 1.564384853e+02 2.231555831e+02 1.024883138e+02 1.556130934e+02 1.26 2.266648155e+02 1.371439606e+02 1.997566579e+02 2.267025477e+02 2.267207859e+02 7.839673508e+01 1.459978243e+02 2.084531210e+02 9.476210447e+01 1.453535767e+02 1.28 2.120240921e+02 1.280886598e+02 1.865052170e+02 2.120363208e+02 2.120394593e+02 7.216229753e+01 1.362105354e+02 1.948793083e+02 8.755718038e+01 1.357881871e+02 1.30 1.984418237e+02 1.197441882e+02 1.743437563e+02 1.984268182e+02 1.984155549e+02 6.650373137e+01 1.270478589e+02 1.822823508e+02 8.085754697e+01 1.267310119e+02 1.32 1.858133846e+02 1.120422323e+02 1.631719942e+02 1.857793758e+02 1.857595538e+02 6.137239554e+01 1.184760531e+02 1.705674063e+02 7.463931102e+01 1.181445077e+02 1.34 1.740463554e+02 1.049179046e+02 1.528948869e+02 1.740089878e+02 1.739905660e+02 5.672080477e+01 1.104593999e+02 1.596585914e+02 6.887941757e+01 1.100004514e+02 1.36 1.630702592e+02 9.831459790e+01 1.434214731e+02 1.630422698e+02 1.630329322e+02 5.250129681e+01 1.029650023e+02 1.495007307e+02 6.356854851e+01 1.022877038e+02 1.38 1.528342059e+02 9.220377189e+01 1.346626461e+02 1.528212397e+02 1.528231339e+02 4.866492892e+01 9.597183555e+01 1.400543091e+02 5.869297664e+01 9.500548790e+01 1.40 1.432990370e+02 8.653233939e+01 1.265399290e+02 1.433023140e+02 1.433130205e+02 4.516579405e+01 8.948118031e+01 1.312820236e+02 5.422737830e+01 8.815790844e+01 1.42 1.344283041e+02 8.125780672e+01 1.190000060e+02 1.344490411e+02 1.344664540e+02 4.197108759e+01 8.323649092e+01 1.231431712e+02 5.012951917e+01 8.175145826e+01 1.44 1.261897473e+02 7.606777744e+01 1.119916380e+02 1.262257891e+02 1.262480025e+02 3.904976352e+01 7.756326132e+01 1.155964183e+02 4.622341789e+01 7.579107286e+01 1.46 1.185525044e+02 7.141667758e+01 1.054695172e+02 1.185974977e+02 1.186223134e+02 3.637778200e+01 7.224766104e+01 1.085990322e+02 4.271597164e+01 7.027679631e+01 1.48 1.114727961e+02 6.699486269e+01 9.939430232e+01 1.115198442e+02 1.115468366e+02 3.393505009e+01 6.727276854e+01 1.021043618e+02 3.945467988e+01 6.518732351e+01 1.50 1.049021959e+02 6.278943846e+01 9.373057117e+01 1.049453433e+02 1.049743770e+02 3.170065266e+01 6.262034473e+01 9.606603904e+01 3.642177765e+01 6.049154275e+01 1.52 9.879045385e+01 5.878939041e+01 8.817470203e+01 9.882639616e+01 9.885633004e+01 2.965503935e+01 5.826850728e+01 9.044051042e+01 3.360277978e+01 5.615791916e+01 1.54 9.309248039e+01 5.498494794e+01 8.319222081e+01 9.311927543e+01 9.314871388e+01 2.777967836e+01 5.420652012e+01 8.519425650e+01 3.098475197e+01 5.215962056e+01 1.56 8.777323035e+01 5.136495267e+01 7.845017826e+01 8.779115328e+01 8.781826608e+01 2.605720937e+01 5.040920529e+01 8.029967279e+01 2.855420044e+01 4.847215905e+01 1.58 8.280316212e+01 4.764766641e+01 7.393791186e+01 8.281365767e+01 8.283681269e+01 2.447354833e+01 4.685967482e+01 7.572848405e+01 2.629911705e+01 4.507273053e+01 1.60 7.815517338e+01 4.430200961e+01 6.963887633e+01 7.816095649e+01 7.817966698e+01 2.301258855e+01 4.354431061e+01 7.145398880e+01 2.420746512e+01 4.193806616e+01 1.62 7.380678188e+01 4.106613073e+01 6.553682302e+01 7.380878287e+01 7.382171647e+01 2.165809546e+01 4.044373216e+01 6.745237340e+01 2.226870720e+01 3.904619207e+01 1.64 6.973601980e+01 3.794888531e+01 6.162055198e+01 6.973433067e+01 6.974122910e+01 2.039660646e+01 3.755179569e+01 6.370579543e+01 2.047471818e+01 3.637484722e+01 1.66 6.591975820e+01 3.496014664e+01 5.788570831e+01 6.591529741e+01 6.591632072e+01 1.921982256e+01 3.476684884e+01 6.019209517e+01 1.882113216e+01 3.390212468e+01 1.68 6.233633975e+01 3.211000542e+01 5.432861987e+01 6.233047845e+01 6.232654879e+01 1.812020621e+01 3.225426053e+01 5.689434572e+01 1.730383710e+01 3.161154479e+01 1.70 5.896604120e+01 2.940532156e+01 5.094627433e+01 5.896157433e+01 5.895441195e+01 1.709056079e+01 2.990585738e+01 5.366127193e+01 1.591382817e+01 2.949061503e+01 1.72 5.579157342e+01 2.684681975e+01 4.773847304e+01 5.579170488e+01 5.578333341e+01 1.612579668e+01 2.771302999e+01 5.046205967e+01 1.464054145e+01 2.752749033e+01 1.74 5.280296108e+01 2.444045375e+01 4.470472035e+01 5.280677130e+01 5.279954079e+01 1.522084850e+01 2.566704030e+01 4.757272748e+01 1.347264452e+01 2.571266593e+01 1.76 4.944460079e+01 2.209980927e+01 4.147994439e+01 4.945118877e+01 4.944664932e+01 1.418841719e+01 2.357683515e+01 4.458844949e+01 1.226346324e+01 2.376356819e+01 1.78 4.667588020e+01 1.996530192e+01 3.870988892e+01 4.668440614e+01 4.668345020e+01 1.334677193e+01 2.175155020e+01 4.182222273e+01 1.124678913e+01 2.215548560e+01 1.80 4.394603589e+01 1.795734115e+01 3.602762603e+01 4.395611158e+01 4.395920036e+01 1.251043502e+01 2.000404349e+01 3.910085924e+01 1.027948541e+01 2.060845804e+01 1.82 4.125577830e+01 1.607568944e+01 3.343055809e+01 4.126628431e+01 4.127277862e+01 1.167843081e+01 1.833119806e+01 3.643086479e+01 9.357390544e+00 1.911779348e+01 1.84 3.860857163e+01 1.431306748e+01 3.092149503e+01 3.861778968e+01 3.862661463e+01 1.085417365e+01 1.673365738e+01 3.381943281e+01 8.479556443e+00 1.767978731e+01 1.86 3.600769551e+01 1.267131446e+01 2.850221832e+01 3.601547628e+01 3.602594824e+01 1.004070110e+01 1.521071718e+01 3.127249904e+01 7.642668491e+00 1.629050136e+01 1.88 3.345727895e+01 1.114796184e+01 2.617442356e+01 3.346481408e+01 3.347679398e+01 9.240964058e+00 1.376140798e+01 2.879733181e+01 6.845247940e+00 1.494703387e+01 1.90 3.096491339e+01 9.735529084e+00 2.394016893e+01 3.097277044e+01 3.098587143e+01 8.457945437e+00 1.238541982e+01 2.640125075e+01 6.085436282e+00 1.365111131e+01 1.92 2.853873546e+01 8.427594230e+00 2.180169602e+01 2.854675788e+01 2.856027628e+01 7.694624522e+00 1.108358440e+01 2.409254943e+01 5.360199012e+00 1.240486616e+01 1.94 2.618738282e+01 7.218665255e+00 1.976082844e+01 2.619534745e+01 2.620854675e+01 6.953670899e+00 9.856218634e+00 2.187984948e+01 4.672486260e+00 1.121019445e+01 1.96 2.391940473e+01 6.104152734e+00 1.781897183e+01 2.392794504e+01 2.394025330e+01 6.237375008e+00 8.702629020e+00 1.977198268e+01 4.021639753e+00 1.006903118e+01 1.98 2.174413506e+01 5.079287685e+00 1.597794239e+01 2.175326234e+01 2.176415455e+01 5.548012213e+00 7.621576015e+00 1.777682805e+01 3.409183020e+00 8.984149724e+00 2.00 1.967061849e+01 4.139245595e+00 1.423973088e+01 1.967948060e+01 1.968829971e+01 4.887952653e+00 6.611757828e+00 1.590246089e+01 2.835832643e+00 7.958064277e+00 2.02 1.770670907e+01 3.278281044e+00 1.260683284e+01 1.771461207e+01 1.772116324e+01 4.260050948e+00 5.675819031e+00 1.414833481e+01 2.302089288e+00 6.992281439e+00 2.04 1.585914704e+01 2.492023477e+00 1.108179338e+01 1.586579625e+01 1.587022643e+01 3.667186007e+00 4.810092332e+00 1.251295987e+01 1.808548742e+00 6.088289599e+00 2.06 1.413285761e+01 1.774807626e+00 9.667325058e+00 1.413835689e+01 1.414098793e+01 3.111738178e+00 4.014843314e+00 1.099433889e+01 1.355401857e+00 5.246961724e+00 2.08 1.252492844e+01 1.123809754e+00 8.361130219e+00 1.252869785e+01 1.252958702e+01 2.593370431e+00 3.286509227e+00 9.589420768e+00 9.408852824e-01 4.465655325e+00 2.10 1.103058610e+01 5.344214009e-01 7.159081448e+00 1.103213033e+01 1.103117330e+01 2.111045725e+00 2.616686865e+00 8.291456322e+00 5.626554324e-01 3.741769099e+00 2.12 9.644412479e+00 2.423211583e-03 6.055836693e+00 9.643808196e+00 9.641012144e+00 1.663115538e+00 2.003992343e+00 7.095102876e+00 2.172925499e-01 3.072809789e+00 2.14 8.361204969e+00 -4.756955075e-01 5.045556310e+00 8.358741998e+00 8.354211741e+00 1.241054905e+00 1.446083746e+00 5.995129790e+00 -9.798456337e-02 2.456409770e+00 2.16 7.176259606e+00 -9.035357149e-01 4.122075715e+00 7.172165728e+00 7.166355614e+00 7.687788993e-01 9.384243066e-01 4.986255489e+00 -3.871375700e-01 1.890269327e+00 2.18 6.084946485e+00 -1.284300663e+00 3.279414863e+00 6.079457253e+00 6.072657965e+00 2.964853356e-01 4.751083184e-01 4.063102822e+00 -6.502287273e-01 1.372057613e+00 2.20 5.082518474e+00 -1.620661636e+00 2.512262192e+00 5.075868904e+00 5.068291938e+00 -1.391795434e-01 5.416217948e-02 3.220639552e+00 -8.887329507e-01 8.990889384e-01 2.22 4.164312203e+00 -1.915003263e+00 1.816345605e+00 4.156679717e+00 4.148529338e+00 -5.267740505e-01 -3.266642459e-01 2.453472117e+00 -1.128667646e+00 4.688111426e-01 2.24 3.325060588e+00 -2.170172603e+00 1.186676175e+00 3.316724238e+00 3.308345749e+00 -8.682876682e-01 -6.701539536e-01 1.755404969e+00 -1.439456398e+00 7.817388792e-02 2.26 2.559136332e+00 -2.389207215e+00 6.181915637e-01 2.550517772e+00 2.542379154e+00 -1.170154127e+00 -9.788510596e-01 1.119736145e+00 -1.742390829e+00 -2.760095108e-01 2.28 1.861124127e+00 -2.574131570e+00 1.059296180e-01 1.852693006e+00 1.845252161e+00 -1.439312699e+00 -1.255030584e+00 5.407820155e-01 -2.004211087e+00 -5.966450520e-01 2.30 1.225697362e+00 -2.729028810e+00 -3.549286607e-01 1.217950246e+00 1.211615754e+00 -1.681650235e+00 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