# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Mahdizadeh-S-J-Akhlamadi-G--Ge # implementation = 2017--Mahdizadeh-S-J--Ge--LAMMPS--ipr1 # 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 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 3.737871903e+03 nan nan nan nan 0.60 nan nan nan nan nan 3.310348921e+03 nan nan 3.902372433e+03 nan 0.62 nan nan nan nan nan 2.945790422e+03 nan nan 3.470777860e+03 nan 0.64 nan nan nan nan nan 2.641133245e+03 nan nan 3.094114698e+03 nan 0.66 nan 3.899674984e+03 nan nan nan 2.363094394e+03 3.975931037e+03 nan 2.760013664e+03 3.915793353e+03 0.68 nan 3.504880014e+03 nan nan nan 2.100656620e+03 3.578769162e+03 nan 2.468578574e+03 3.519714776e+03 0.70 nan 3.158304429e+03 nan nan nan 1.869398227e+03 3.227357134e+03 nan 2.220907514e+03 3.163278192e+03 0.72 nan 2.853060650e+03 3.889035511e+03 nan nan 1.677048191e+03 2.907236437e+03 nan 2.004980746e+03 2.845069926e+03 0.74 3.912241524e+03 2.575596115e+03 3.531332284e+03 3.913716897e+03 3.915997967e+03 1.513395207e+03 2.616695229e+03 3.651491187e+03 1.807146885e+03 2.575762991e+03 0.76 3.562222956e+03 2.332695047e+03 3.218896786e+03 3.558251049e+03 3.556012771e+03 1.372666368e+03 2.367205421e+03 3.325638405e+03 1.629997605e+03 2.347982769e+03 0.78 3.252500803e+03 2.117923615e+03 2.932421830e+03 3.241766831e+03 3.236802316e+03 1.245460720e+03 2.154053216e+03 3.030043297e+03 1.473054195e+03 2.133908121e+03 0.80 2.969414351e+03 1.923647217e+03 2.671976250e+03 2.960352816e+03 2.956224708e+03 1.125348883e+03 1.962774659e+03 2.758171955e+03 1.333418714e+03 1.931329880e+03 0.82 2.705907063e+03 1.745611798e+03 2.444601836e+03 2.706961275e+03 2.705691452e+03 1.017949810e+03 1.787378056e+03 2.510045434e+03 1.206832598e+03 1.749910946e+03 0.84 2.462684058e+03 1.588225336e+03 2.230921157e+03 2.473894211e+03 2.475832900e+03 9.224349161e+02 1.625027128e+03 2.288915923e+03 1.092473815e+03 1.596480554e+03 0.86 2.252500688e+03 1.447980564e+03 2.028407817e+03 2.262257488e+03 2.265525822e+03 8.366243633e+02 1.477601756e+03 2.093820986e+03 9.880208203e+02 1.461097058e+03 0.88 2.068113150e+03 1.317400832e+03 1.843059258e+03 2.071568683e+03 2.075230509e+03 7.565957541e+02 1.349136502e+03 1.919710516e+03 8.958894635e+02 1.336646775e+03 0.90 1.901780745e+03 1.201187574e+03 1.686295855e+03 1.900383882e+03 1.904227556e+03 6.853275300e+02 1.237819153e+03 1.762871072e+03 8.125655128e+02 1.221504831e+03 0.92 1.748689253e+03 1.101789139e+03 1.556118148e+03 1.745399665e+03 1.748347660e+03 6.255492551e+02 1.136846495e+03 1.620147680e+03 7.379889251e+02 1.114175973e+03 0.94 1.610997920e+03 1.012004289e+03 1.439278058e+03 1.604752498e+03 1.603864985e+03 5.732096278e+02 1.040336708e+03 1.489524448e+03 6.711383121e+02 1.018581536e+03 0.96 1.481262718e+03 9.257177774e+02 1.328611602e+03 1.475913139e+03 1.471529917e+03 5.251154493e+02 9.501985301e+02 1.367411944e+03 6.130021795e+02 9.286492304e+02 0.98 1.361122463e+03 8.455357082e+02 1.222553884e+03 1.359926403e+03 1.354303491e+03 4.792106184e+02 8.673775910e+02 1.257262687e+03 5.618186510e+02 8.459787155e+02 1.00 1.252691968e+03 7.747661453e+02 1.123861354e+03 1.254603000e+03 1.250474316e+03 4.363029534e+02 7.906206049e+02 1.159513183e+03 5.146717094e+02 7.719636099e+02 1.02 1.155956182e+03 7.126628420e+02 1.032317049e+03 1.158672450e+03 1.156834223e+03 3.946136904e+02 7.201423917e+02 1.072900184e+03 4.714492546e+02 7.050853886e+02 1.04 1.072996572e+03 6.553169427e+02 9.508948770e+02 1.073190047e+03 1.072740916e+03 3.561260302e+02 6.567431530e+02 9.946692085e+02 4.330160924e+02 6.480682823e+02 1.06 9.980711398e+02 5.988871647e+02 8.770497207e+02 9.955934815e+02 9.961716783e+02 3.208294088e+02 6.014847736e+02 9.188968319e+02 3.978680923e+02 5.970111930e+02 1.08 9.241242072e+02 5.439296047e+02 8.113091983e+02 9.221300944e+02 9.240328903e+02 2.905269941e+02 5.542190202e+02 8.434687270e+02 3.640497265e+02 5.512668528e+02 1.10 8.496359052e+02 4.937462080e+02 7.533183655e+02 8.502051668e+02 8.534606263e+02 2.671383734e+02 5.129515854e+02 7.713902139e+02 3.311893452e+02 5.112832876e+02 1.12 7.774242224e+02 4.498043702e+02 6.971385356e+02 7.809498959e+02 7.848864537e+02 2.471192438e+02 4.744575846e+02 7.062621050e+02 3.000531120e+02 4.751159236e+02 1.14 7.111549362e+02 4.134829908e+02 6.397195383e+02 7.167021631e+02 7.206176829e+02 2.271223100e+02 4.378901467e+02 6.501605035e+02 2.723318712e+02 4.416631421e+02 1.16 6.544727476e+02 3.834004621e+02 5.829879782e+02 6.599086494e+02 6.629858554e+02 2.072803843e+02 4.034435107e+02 6.019970216e+02 2.488362855e+02 4.094014842e+02 1.18 6.084203123e+02 3.561018012e+02 5.302492071e+02 6.111315875e+02 6.128225582e+02 1.883554428e+02 3.716728698e+02 5.594127868e+02 2.277348657e+02 3.765387730e+02 1.20 5.664136587e+02 3.307577821e+02 4.852064659e+02 5.666297780e+02 5.670435849e+02 1.711983440e+02 3.432839133e+02 5.197847387e+02 2.078100495e+02 3.442604857e+02 1.22 5.272369223e+02 3.066387908e+02 4.484108231e+02 5.255908882e+02 5.245524934e+02 1.565210097e+02 3.184094839e+02 4.825454034e+02 1.886654504e+02 3.139600990e+02 1.24 4.913085238e+02 2.830371404e+02 4.172128276e+02 4.882199578e+02 4.853885571e+02 1.439687704e+02 2.955860460e+02 4.482474533e+02 1.703942467e+02 2.870660176e+02 1.26 4.585752947e+02 2.594842364e+02 3.882014528e+02 4.541538138e+02 4.497444479e+02 1.321055316e+02 2.736208059e+02 4.162684928e+02 1.538403027e+02 2.644829269e+02 1.28 4.263869513e+02 2.362408604e+02 3.608412281e+02 4.215670243e+02 4.167471972e+02 1.208394377e+02 2.527165605e+02 3.849506700e+02 1.394600960e+02 2.435935729e+02 1.30 3.940376436e+02 2.141577060e+02 3.354321157e+02 3.901353208e+02 3.862330565e+02 1.104577754e+02 2.324566581e+02 3.549894843e+02 1.264926104e+02 2.220908594e+02 1.32 3.625375855e+02 1.942900968e+02 3.122091195e+02 3.603426171e+02 3.581476474e+02 1.012213333e+02 2.126216103e+02 3.273230735e+02 1.146493116e+02 2.007375939e+02 1.34 3.330672073e+02 1.772588370e+02 2.912619163e+02 3.325253198e+02 3.319833646e+02 9.328212023e+01 1.937523395e+02 3.020158609e+02 1.040776333e+02 1.805760626e+02 1.36 3.068378328e+02 1.630953358e+02 2.721869952e+02 3.075636269e+02 3.082892996e+02 8.634588583e+01 1.756082405e+02 2.794907428e+02 9.447538731e+01 1.628450293e+02 1.38 2.848116799e+02 1.508099664e+02 2.543810777e+02 2.861170728e+02 2.874223197e+02 7.992358134e+01 1.578778387e+02 2.596622543e+02 8.605630024e+01 1.487644430e+02 1.40 2.665277093e+02 1.398867231e+02 2.377511402e+02 2.677858227e+02 2.690437931e+02 7.397188248e+01 1.414120833e+02 2.415136178e+02 7.887957342e+01 1.380847153e+02 1.42 2.489464927e+02 1.294920299e+02 2.218532003e+02 2.502822333e+02 2.516178418e+02 6.845540223e+01 1.270836087e+02 2.239230172e+02 7.263054762e+01 1.279864673e+02 1.44 2.314339128e+02 1.193763666e+02 2.063939100e+02 2.331176416e+02 2.348012609e+02 6.334150643e+01 1.148162858e+02 2.069663109e+02 6.684401111e+01 1.180464163e+02 1.46 2.143131461e+02 1.096658987e+02 1.915526379e+02 2.165201283e+02 2.187270314e+02 5.860009331e+01 1.043610718e+02 1.910239140e+02 6.143786762e+01 1.084115151e+02 1.48 1.979564064e+02 1.005061274e+02 1.768026445e+02 2.005506857e+02 2.031449207e+02 5.395454676e+01 9.565038312e+01 1.764596214e+02 5.625575473e+01 9.925856552e+01 1.50 1.827519889e+02 9.203153519e+01 1.614538842e+02 1.852382180e+02 1.877244382e+02 4.910396462e+01 8.792420614e+01 1.635525020e+02 5.129189623e+01 9.077695621e+01 1.52 1.690553945e+02 8.387206593e+01 1.460820648e+02 1.709591664e+02 1.728629599e+02 4.420067998e+01 8.052527287e+01 1.521647053e+02 4.655731219e+01 8.314039140e+01 1.54 1.571102669e+02 7.596487143e+01 1.313050580e+02 1.580428627e+02 1.589755005e+02 3.940441877e+01 7.355718035e+01 1.418065378e+02 4.211589798e+01 7.646440195e+01 1.56 1.468265842e+02 6.844620304e+01 1.177152089e+02 1.466010049e+02 1.463754763e+02 3.488434986e+01 6.712904617e+01 1.323608188e+02 3.803223743e+01 7.069674811e+01 1.58 1.373144068e+02 6.091899410e+01 1.054883320e+02 1.361429173e+02 1.349714847e+02 3.083424665e+01 6.133412220e+01 1.231485457e+02 3.427263247e+01 6.538625137e+01 1.60 1.283948742e+02 5.350517777e+01 9.527481551e+01 1.266632950e+02 1.249317767e+02 2.746268213e+01 5.622534709e+01 1.141021622e+02 3.083797688e+01 6.043766940e+01 1.62 1.200091198e+02 4.652092850e+01 8.765098101e+01 1.181784572e+02 1.163478554e+02 2.491868559e+01 5.173003148e+01 1.048783758e+02 2.770001865e+01 5.582059282e+01 1.64 1.112448351e+02 4.030716081e+01 8.147466682e+01 1.096087555e+02 1.079727325e+02 2.284253804e+01 4.756676370e+01 9.525045389e+01 2.479611784e+01 5.125453723e+01 1.66 1.018430692e+02 3.525044663e+01 7.568809652e+01 1.005070862e+02 9.917115243e+01 2.091308088e+01 4.369081006e+01 8.552615041e+01 2.213588026e+01 4.665616965e+01 1.68 9.209864288e+01 3.094613352e+01 7.026751559e+01 9.114212286e+01 9.018564174e+01 1.912028635e+01 4.008335094e+01 7.602852685e+01 1.972001238e+01 4.211325239e+01 1.70 8.230456287e+01 2.714311741e+01 6.519061765e+01 8.178761203e+01 8.127068866e+01 1.745481981e+01 3.672678186e+01 6.713293153e+01 1.757372833e+01 3.772214929e+01 1.72 7.277260800e+01 2.395484837e+01 6.041406110e+01 7.273485799e+01 7.269712610e+01 1.589888470e+01 3.357513260e+01 5.930469287e+01 1.570539188e+01 3.358783756e+01 1.74 6.389419983e+01 2.120824955e+01 5.551548774e+01 6.429855120e+01 6.470291701e+01 1.428495575e+01 3.050730634e+01 5.270958978e+01 1.398022764e+01 2.982212431e+01 1.76 5.619839813e+01 1.871721657e+01 5.042202704e+01 5.691477706e+01 5.763117221e+01 1.259176542e+01 2.753492726e+01 4.742190622e+01 1.227322181e+01 2.653211297e+01 1.78 5.027920622e+01 1.650790279e+01 4.524655911e+01 5.107354621e+01 5.186790375e+01 1.085654985e+01 2.468794957e+01 4.351481129e+01 1.061556116e+01 2.379427709e+01 1.80 4.624035017e+01 1.456877889e+01 4.010892986e+01 4.685945982e+01 4.747858325e+01 9.092600189e+00 2.199880855e+01 4.004942056e+01 9.039588490e+00 2.157268057e+01 1.82 4.266812859e+01 1.278906729e+01 3.514361759e+01 4.308473219e+01 4.350134512e+01 7.289547932e+00 1.950098951e+01 3.680542895e+01 7.574007112e+00 1.955199236e+01 1.84 3.931901013e+01 1.114335337e+01 3.051294408e+01 3.955885891e+01 3.979871309e+01 5.429633861e+00 1.722657878e+01 3.376980766e+01 6.244171166e+00 1.767448684e+01 1.86 3.618013115e+01 9.622924471e+00 2.641195719e+01 3.628530028e+01 3.639047179e+01 3.528190371e+00 1.520168980e+01 3.093026959e+01 5.072664196e+00 1.593086525e+01 1.88 3.323934625e+01 8.219597710e+00 2.304097041e+01 3.326317724e+01 3.328700877e+01 1.708911545e+00 1.343989995e+01 2.825816705e+01 4.073519248e+00 1.431241505e+01 1.90 3.048518843e+01 6.925688887e+00 2.052968395e+01 3.048510412e+01 3.048501981e+01 4.442090290e-01 1.192290882e+01 2.569426945e+01 3.195207604e+00 1.281097323e+01 1.92 2.790683161e+01 5.733983190e+00 1.847424546e+01 2.790675108e+01 2.790667055e+01 -4.749151400e-02 1.053021315e+01 2.324078055e+01 2.382276430e+00 1.141889183e+01 1.94 2.549405512e+01 4.637707585e+00 1.655787250e+01 2.549397819e+01 2.549390126e+01 -4.999063107e-01 9.133934683e+00 2.090698676e+01 1.580517687e+00 1.012900572e+01 1.96 2.323721021e+01 3.630504792e+00 1.477230359e+01 2.323713672e+01 2.323706324e+01 -9.154421602e-01 7.724678275e+00 1.870369683e+01 7.993923335e-01 8.934602339e+00 1.98 2.112718624e+01 2.706408764e+00 1.310973905e+01 2.112711604e+01 2.112704584e+01 -1.296373114e+00 6.330736115e+00 1.664224766e+01 4.590828889e-02 7.829391305e+00 2.00 1.907349477e+01 1.859821579e+00 1.156281606e+01 1.907343258e+01 1.907337039e+01 -1.644847411e+00 4.976879690e+00 1.468029629e+01 -6.715613235e-01 6.732994601e+00 2.02 1.700875740e+01 1.085491667e+00 1.012458494e+01 1.700871184e+01 1.700866628e+01 -1.962894067e+00 3.685169981e+00 1.278538302e+01 -1.336291835e+00 5.595676822e+00 2.04 1.495726883e+01 3.784932897e-01 8.788486755e+00 1.495724704e+01 1.495722525e+01 -2.252429119e+00 2.478317792e+00 1.098205737e+01 -1.916159403e+00 4.451042649e+00 2.06 1.294455569e+01 -2.657927852e-01 7.548332131e+00 1.294456313e+01 1.294457057e+01 -2.515261569e+00 1.384288044e+00 9.294422070e+00 -2.364262308e+00 3.323596465e+00 2.08 1.099833305e+01 -8.516974989e-01 6.398281126e+00 1.099837322e+01 1.099841339e+01 -2.753099007e+00 4.385731449e-01 7.730439044e+00 -2.645488104e+00 2.226262916e+00 2.10 9.150043671e+00 -1.383280657e+00 5.332824239e+00 9.150117766e+00 9.150191860e+00 -2.967552967e+00 -3.212887110e-01 6.264221396e+00 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