# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Zuo-Y-Chen-C-Li-X-et-al--Ge-qSNAP # implementation = SNAP_ZuoChenLi_2019quadratic_Ge__MO_766484508139_000 # composition = Ge # 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 -3.397398563e+09 nan nan nan nan 0.78 nan nan nan nan nan -2.125615645e+09 nan nan nan nan 0.80 nan nan nan nan nan -1.344060835e+09 nan nan -3.142497962e+09 nan 0.82 nan nan nan nan nan -8.603539221e+08 nan nan -2.014130468e+09 nan 0.84 nan nan nan nan nan -5.590285540e+08 nan nan -1.306222796e+09 nan 0.86 nan nan nan nan nan -3.669573699e+08 nan nan -8.569038003e+08 nan 0.88 nan nan nan nan nan -2.428770048e+08 nan nan -5.672909602e+08 nan 0.90 nan -2.154043590e+09 nan nan nan -1.620841448e+08 -2.344498162e+09 nan -3.785388839e+08 -2.149157561e+09 0.92 nan -1.450402719e+09 nan nan nan -1.090559127e+08 -1.576650000e+09 nan -2.546312117e+08 -1.448319232e+09 0.94 nan -9.848066228e+08 nan nan nan -7.398987883e+07 -1.069386459e+09 nan -1.725845560e+08 -9.839742936e+08 0.96 nan -6.738698032e+08 -3.239151004e+09 nan nan -5.054769552e+07 -7.316491742e+08 nan -1.179066002e+08 -6.750563692e+08 0.98 nan -4.650715679e+08 -2.236882805e+09 nan nan -3.475010092e+07 -5.050632591e+08 -2.618230643e+09 -8.121154881e+07 -4.668051975e+08 1.00 -2.591792103e+09 -3.233923085e+08 -1.556374050e+09 -2.584657583e+09 -2.582699385e+09 -2.405224094e+07 -3.520131908e+08 -1.818733780e+09 -5.639777098e+07 -3.244813484e+08 1.02 -1.812939110e+09 -2.264767100e+08 -1.089609977e+09 -1.810654916e+09 -1.809795034e+09 -1.672520800e+07 -2.471181479e+08 -1.271608057e+09 -3.948252199e+07 -2.266635379e+08 1.04 -1.276517624e+09 -1.595023623e+08 -7.679843121e+08 -1.277485101e+09 -1.277437788e+09 -1.167517253e+07 -1.743024887e+08 -8.956726906e+08 -2.784577002e+07 -1.592917365e+08 1.06 -9.046310378e+08 -1.131602149e+08 -5.439386798e+08 -9.067162250e+08 -9.073908418e+08 -8.187869801e+06 -1.235342572e+08 -6.351881902e+08 -1.977588113e+07 -1.128400692e+08 1.08 -6.456906251e+08 -8.085898150e+07 -3.874531516e+08 -6.474245922e+08 -6.481837021e+08 -5.775429860e+06 -8.805092812e+07 -4.535345359e+08 -1.414115015e+07 -8.059219790e+07 1.10 -4.639276581e+08 -5.814982885e+07 -2.781795613e+08 -4.648942232e+08 -4.653458050e+08 -4.107619626e+06 -6.315963089e+07 -3.261067555e+08 -1.017309712e+07 -5.793435487e+07 1.12 -3.357554432e+08 -4.209052494e+07 -2.014877556e+08 -3.358988774e+08 -3.360256780e+08 -2.950644806e+06 -4.560362337e+07 -2.361589677e+08 -7.355780278e+06 -4.191013416e+07 1.14 -2.447102945e+08 -3.060501880e+07 -1.468690309e+08 -2.443066946e+08 -2.442413547e+08 -2.135610652e+06 -3.311162346e+07 -1.720587982e+08 -5.335110496e+06 -3.052404477e+07 1.16 -1.792151921e+08 -2.235679574e+07 -1.075863016e+08 -1.787728010e+08 -1.786324754e+08 -1.549258296e+06 -2.418961757e+07 -1.259703699e+08 -3.879449613e+06 -2.238263017e+07 1.18 -1.318657335e+08 -1.643578374e+07 -7.925228468e+07 -1.315426236e+08 -1.313754523e+08 -1.125251211e+06 -1.779895484e+07 -9.266694331e+07 -2.831003917e+06 -1.650368177e+07 1.20 -9.750999427e+07 -1.214794392e+07 -5.868547560e+07 -9.726411873e+07 -9.710575953e+07 -8.188363383e+05 -1.318687727e+07 -6.845163582e+07 -2.073776293e+06 -1.222879958e+07 1.22 -7.234762846e+07 -9.015667706e+06 -4.356314464e+07 -7.223154196e+07 -7.212956312e+07 -5.955584259e+05 -9.833160804e+06 -5.075818413e+07 -1.525835630e+06 -9.078228707e+06 1.24 -5.389808518e+07 -6.726921151e+06 -3.243854638e+07 -5.389434905e+07 -5.386825317e+07 -4.331500662e+05 -7.363003892e+06 -3.778866317e+07 -1.128153474e+06 -6.754973188e+06 1.26 -4.034629348e+07 -5.046524895e+06 -2.424806662e+07 -4.040911981e+07 -4.043186481e+07 -3.151287393e+05 -5.527037897e+06 -2.827790619e+07 -8.366431865e+05 -5.040974949e+06 1.28 -3.035502099e+07 -3.797064510e+06 -1.822095819e+07 -3.043722354e+07 -3.048007849e+07 -2.297253365e+05 -4.158153296e+06 -2.126644710e+07 -6.222537396e+05 -3.777140055e+06 1.30 -2.291064695e+07 -2.866642042e+06 -1.376596062e+07 -2.300921229e+07 -2.305850711e+07 -1.681233599e+05 -3.137350000e+06 -1.606973952e+07 -4.642821385e+05 -2.845337891e+06 1.32 -1.736657198e+07 -2.174251803e+06 -1.043920423e+07 -1.745562996e+07 -1.749874937e+07 -1.235408010e+05 -2.376031553e+06 -1.220991721e+07 -3.475523944e+05 -2.156253145e+06 1.34 -1.324103967e+07 -1.658651799e+06 -7.951352502e+06 -1.330015576e+07 -1.333070050e+07 -9.126574446e+04 -1.805106256e+06 -9.328734279e+06 -2.607475511e+05 -1.638161102e+06 1.36 -1.017161043e+07 -1.270362655e+06 -6.085336672e+06 -1.018294310e+07 -1.019831695e+07 -6.775383097e+04 -1.375840359e+06 -7.165877880e+06 -1.961182340e+05 -1.248097886e+06 1.38 -7.851582533e+06 -9.747871306e+05 -4.678410940e+06 -7.830596133e+06 -7.833548422e+06 -5.045192811e+04 -1.052232112e+06 -5.524359691e+06 -1.480473449e+05 -9.528785839e+05 1.40 -6.075164233e+06 -7.496649400e+05 -3.618142183e+06 -6.046289738e+06 -6.041315031e+06 -3.772538392e+04 -8.072925152e+05 -4.271436930e+06 -1.120524616e+05 -7.284036850e+05 1.42 -4.715853831e+06 -5.783573780e+05 -2.818013021e+06 -4.688622280e+06 -4.679063375e+06 -2.835560721e+04 -6.216465581e+05 -3.312565261e+06 -8.503342283e+04 -5.578396318e+05 1.44 -3.669264358e+06 -4.476940803e+05 -2.206382745e+06 -3.650295927e+06 -3.640191147e+06 -2.143763435e+04 -4.798961688e+05 -2.576544550e+06 -6.474462129e+04 -4.279279473e+05 1.46 -2.861986947e+06 -3.477832596e+05 -1.729183916e+06 -2.850920694e+06 -2.841740964e+06 -1.624874376e+04 -3.707135786e+05 -2.010046262e+06 -4.939191469e+04 -3.289763293e+05 1.48 -2.239576057e+06 -2.707053186e+05 -1.355257738e+06 -2.233276334e+06 -2.225395531e+06 -1.233347285e+04 -2.866255791e+05 -1.571776566e+06 -3.771347209e+04 -2.537502506e+05 1.50 -1.756809028e+06 -2.108016936e+05 -1.062884545e+06 -1.753910686e+06 -1.747808300e+06 -9.379196932e+03 -2.218776912e+05 -1.231517065e+06 -2.884712973e+04 -1.961261153e+05 1.52 -1.381030737e+06 -1.642409639e+05 -8.341380286e+05 -1.380915912e+06 -1.376863985e+06 -7.139829843e+03 -1.720540370e+05 -9.671403565e+05 -2.210925619e+04 -1.518291688e+05 1.54 -1.088640189e+06 -1.280917011e+05 -6.550303046e+05 -1.090178640e+06 -1.088110119e+06 -5.434634497e+03 -1.337036361e+05 -7.617133625e+05 -1.695370293e+04 -1.179068733e+05 1.56 -8.608180469e+05 -1.000543839e+05 -5.150280178e+05 -8.626328474e+05 -8.622885942e+05 -4.137934879e+03 -1.040777274e+05 -6.015267375e+05 -1.299234007e+04 -9.195124896e+04 1.58 -6.818791163e+05 -7.833365911e+04 -4.057192353e+05 -6.838722011e+05 -6.849184181e+05 -3.153208631e+03 -8.121287146e+04 -4.759053621e+05 -9.944263152e+03 -7.184424436e+04 1.60 -5.412460351e+05 -6.150011491e+04 -3.204377100e+05 -5.429624776e+05 -5.446234872e+05 -2.406651840e+03 -6.355131639e+04 -3.772713056e+05 -7.602405316e+03 -5.627285303e+04 1.62 -4.307796325e+05 -4.832781961e+04 -2.539336455e+05 -4.318150798e+05 -4.334491890e+05 -1.842031421e+03 -4.980441348e+04 -2.996752739e+05 -5.807855547e+03 -4.423001731e+04 1.64 -3.439653427e+05 -3.797904448e+04 -2.020449207e+05 -3.441917842e+05 -3.454783993e+05 -1.416027712e+03 -3.913065922e+04 -2.385620419e+05 -4.435699913e+03 -3.489652503e+04 1.66 -2.748929881e+05 -2.982057391e+04 -1.610658408e+05 -2.747306171e+05 -2.756794234e+05 -1.090412167e+03 -3.082418130e+04 -1.900412872e+05 -3.386180343e+03 -2.752233334e+04 1.68 -2.197692587e+05 -2.339562693e+04 -1.285694067e+05 -2.195946376e+05 -2.202832343e+05 -8.410581861e+02 -2.433367655e+04 -1.514876262e+05 -2.583309801e+03 -2.167412246e+04 1.70 -1.758159408e+05 -1.835226843e+04 -1.027884078e+05 -1.758450596e+05 -1.763337668e+05 -6.510135691e+02 -1.923706599e+04 -1.208711672e+05 -1.970208206e+03 -1.704690675e+04 1.72 -1.407904133e+05 -1.440812093e+04 -8.232425783e+04 -1.409960883e+05 -1.413263945e+05 -5.070140980e+02 -1.521569614e+04 -9.657702453e+04 -1.501290724e+03 -1.339294073e+04 1.74 -1.128895735e+05 -1.133256997e+04 -6.605732455e+04 -1.131611877e+05 -1.133562280e+05 -3.981725686e+02 -1.202080163e+04 -7.731963505e+04 -1.143112163e+03 -1.051113245e+04 1.76 -9.062235238e+04 -8.920707883e+03 -5.295830222e+04 -9.090129522e+04 -9.099508343e+04 -3.125678879e+02 -9.477382435e+03 -6.204846374e+04 -8.700636616e+02 -8.231041931e+03 1.78 -7.285959346e+04 -7.030814564e+03 -4.237761385e+04 -7.310215000e+04 -7.311343915e+04 -2.444903052e+02 -7.459501921e+03 -4.995422310e+04 -6.623439400e+02 -6.431223972e+03 1.80 -5.871354700e+04 -5.550950331e+03 -3.384791104e+04 -5.888522174e+04 -5.882069223e+04 -1.904224452e+02 -5.863123910e+03 -4.034355169e+04 -5.047143435e+02 -5.015709235e+03 1.82 -4.746884406e+04 -4.383532642e+03 -2.699750823e+04 -4.754125173e+04 -4.740552239e+04 -1.475691543e+02 -4.601030680e+03 -3.265772244e+04 -3.853451868e+02 -3.905920656e+03 1.84 -3.854492155e+04 -3.455450029e+03 -2.152597233e+04 -3.847576243e+04 -3.827655292e+04 -1.137232311e+02 -3.604749282e+03 -2.647544309e+04 -2.947736480e+02 -3.038079844e+03 1.86 -3.144659213e+04 -2.714583057e+03 -1.718451584e+04 -3.122741152e+04 -3.097967589e+04 -8.713929366e+01 -2.820082923e+03 -2.145164295e+04 -2.255571963e+02 -2.360867212e+03 1.88 -2.563138853e+04 -2.126876361e+03 -1.376206184e+04 -2.533478705e+04 -2.507444548e+04 -6.642358017e+01 -2.203265200e+03 -1.733978930e+04 -1.725643890e+02 -1.833320238e+03 1.90 -2.084142487e+04 -1.663359954e+03 -1.107644391e+04 -2.053433984e+04 -2.029160299e+04 -5.044434259e+01 -1.719231168e+03 -1.398299753e+04 -1.321487001e+02 -1.422972599e+03 1.92 -1.690638993e+04 -1.299663603e+03 -8.939625923e+03 -1.662277747e+04 -1.640632931e+04 -3.826463420e+01 -1.339785836e+03 -1.125080887e+04 -1.012212521e+02 -1.104240476e+03 1.94 -1.368246866e+04 -1.015525700e+03 -7.222553270e+03 -1.343862880e+04 -1.324866331e+04 -2.909652078e+01 -1.042493895e+03 -9.033998578e+03 -7.759608128e+01 -8.570540264e+02 1.96 -1.104867525e+04 -7.942999219e+02 -5.835868846e+03 -1.085226346e+04 -1.069020854e+04 -2.219563052e+01 -8.094738065e+02 -7.241233570e+03 -5.964981491e+01 -6.657194637e+02 1.98 -8.903478859e+03 -6.224692866e+02 -4.697739153e+03 -8.750151272e+03 -8.617282237e+03 -1.684441201e+01 -6.271306661e+02 -5.791448190e+03 -4.611566288e+01 -5.179873174e+02 2.00 -7.161786770e+03 -4.891792977e+02 -3.767642022e+03 -7.047020796e+03 -6.944125160e+03 -1.276161249e+01 -4.849053076e+02 -4.619760342e+03 -3.600040627e+01 -4.042981935e+02 2.02 -5.747970630e+03 -3.858013989e+02 -3.012272622e+03 -5.668245070e+03 -5.594968319e+03 -9.719086391e+00 -3.743216446e+02 -3.677221181e+03 -2.846730007e+01 -3.159487792e+02 2.04 -4.600864864e+03 -3.055363169e+02 -2.402551848e+03 -4.552768199e+03 -4.507512897e+03 -7.511506369e+00 -2.886100724e+02 -2.922501808e+03 -2.281258510e+01 -2.463918852e+02 2.06 -3.674449836e+03 -2.430645954e+02 -1.913230959e+03 -3.653485693e+03 -3.633593966e+03 -5.957092283e+00 -2.223861880e+02 -2.320819922e+03 -1.851339329e+01 -1.918086705e+02 2.08 -2.929755937e+03 -1.942487194e+02 -1.522557045e+03 -2.928825285e+03 -2.928604788e+03 -4.898960986e+00 -1.713840874e+02 -1.843023300e+03 -1.523181995e+01 -1.491584635e+02 2.10 -2.333855922e+03 -1.558653295e+02 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