# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2005--Grochola-G-Russo-S-P-Snook-I-K--Au # implementation = 2005--Grochola-G--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 2.798116461e+03 nan 0.72 nan nan nan nan nan nan nan nan 2.545645371e+03 nan 0.74 nan nan nan nan nan nan nan nan 2.320363433e+03 nan 0.76 nan nan nan nan nan 1.813427938e+03 nan nan 2.118918521e+03 nan 0.78 nan nan nan nan nan 1.657025816e+03 nan nan 1.938242085e+03 nan 0.80 nan nan nan nan nan 1.516255263e+03 nan nan 1.775394890e+03 nan 0.82 nan nan nan nan nan 1.388952979e+03 nan nan 1.628321157e+03 nan 0.84 nan nan nan nan nan 1.273589455e+03 nan nan 1.495255364e+03 nan 0.86 nan nan nan 2.852064926e+03 2.852423778e+03 1.168825753e+03 nan nan 1.374613765e+03 1.928859882e+03 0.88 nan 1.776105450e+03 nan 2.640170620e+03 2.640322942e+03 1.073694155e+03 nan nan 1.264997747e+03 1.780917841e+03 0.90 nan 1.641063185e+03 nan 2.447143301e+03 2.447052297e+03 9.869446536e+02 1.669887097e+03 nan 1.165158057e+03 1.646140380e+03 0.92 nan 1.517678395e+03 nan 2.270955019e+03 2.270669979e+03 9.075604324e+02 1.545149452e+03 nan 1.074010630e+03 1.523116018e+03 0.94 nan 1.404564785e+03 nan 2.109637154e+03 2.109298939e+03 8.349548899e+02 1.431336941e+03 nan 9.905865408e+02 1.410442852e+03 0.96 nan 1.300733746e+03 nan 1.961526591e+03 1.961295593e+03 7.684923223e+02 1.327052763e+03 nan 9.140902602e+02 1.307043913e+03 0.98 1.825278221e+03 1.205501650e+03 1.651031995e+03 1.825314491e+03 1.825233938e+03 7.077149857e+02 1.231175943e+03 1.703288001e+03 8.438790866e+02 1.212109356e+03 1.00 1.699805444e+03 1.118235177e+03 1.536591405e+03 1.699950060e+03 1.700026237e+03 6.522835229e+02 1.142808214e+03 1.585318609e+03 7.793698492e+02 1.124919049e+03 1.02 1.584265478e+03 1.038196448e+03 1.431266342e+03 1.584440058e+03 1.584603143e+03 6.017992209e+02 1.061254846e+03 1.476753019e+03 7.200422169e+02 1.044827973e+03 1.04 1.477804633e+03 9.646540064e+02 1.334288534e+03 1.477944947e+03 1.478103770e+03 5.557807197e+02 9.860279114e+02 1.376780276e+03 6.653902487e+02 9.709344893e+02 1.06 1.379676951e+03 8.968989896e+02 1.244888389e+03 1.379724972e+03 1.379845310e+03 5.137662478e+02 9.166330930e+02 1.284621429e+03 6.149364592e+02 9.025513161e+02 1.08 1.289041764e+03 8.342602161e+02 1.162091839e+03 1.289063477e+03 1.289141374e+03 4.751960421e+02 8.525426789e+02 1.199517308e+03 5.683102344e+02 8.392687063e+02 1.10 1.205208193e+03 7.762992052e+02 1.085298995e+03 1.205212514e+03 1.205241509e+03 4.396460970e+02 7.932269671e+02 1.120817798e+03 5.252097104e+02 7.806298649e+02 1.12 1.127571223e+03 7.225674584e+02 1.014006095e+03 1.127489630e+03 1.127454234e+03 4.069197518e+02 7.382642392e+02 1.047870676e+03 4.853879173e+02 7.261469636e+02 1.14 1.055477233e+03 6.725691660e+02 9.477693348e+02 1.055334360e+03 1.055249231e+03 3.768819339e+02 6.872305647e+02 9.800698204e+02 4.486070530e+02 6.754022501e+02 1.16 9.884108367e+02 6.258818677e+02 8.862547658e+02 9.882842080e+02 9.881656538e+02 3.493641210e+02 6.396933639e+02 9.169779153e+02 4.146168199e+02 6.281214402e+02 1.18 9.259340680e+02 5.822954504e+02 8.291348931e+02 9.258904236e+02 9.257717401e+02 3.242174800e+02 5.953048360e+02 8.582222294e+02 3.831701374e+02 5.841596510e+02 1.20 8.676876001e+02 5.416609917e+02 7.760100759e+02 8.677315167e+02 8.676458093e+02 3.012421152e+02 5.538122821e+02 8.034450636e+02 3.540597917e+02 5.433532005e+02 1.22 8.132901312e+02 5.037528298e+02 7.264755788e+02 8.133938298e+02 8.133553796e+02 2.801931973e+02 5.150505861e+02 7.523027343e+02 3.271358430e+02 5.054806312e+02 1.24 7.623947199e+02 4.684410823e+02 6.802491927e+02 7.625310186e+02 7.625448648e+02 2.608704287e+02 4.789131460e+02 7.045200401e+02 3.022800469e+02 4.702411367e+02 1.26 7.148624397e+02 4.355537727e+02 6.370643945e+02 7.149459225e+02 7.150052365e+02 2.430935208e+02 4.452683786e+02 6.598827129e+02 2.793668531e+02 4.373589336e+02 1.28 6.704612101e+02 4.048246846e+02 5.966486348e+02 6.704336251e+02 6.705320263e+02 2.266942056e+02 4.139102414e+02 6.181170088e+02 2.582125199e+02 4.066076932e+02 1.30 6.288591421e+02 3.760251176e+02 5.587081373e+02 6.287632488e+02 6.288921624e+02 2.114556763e+02 3.846517101e+02 5.789626371e+02 2.386415639e+02 3.778745561e+02 1.32 5.897828607e+02 3.490280184e+02 5.230472164e+02 5.896992869e+02 5.898291035e+02 1.972604523e+02 3.573362137e+02 5.422171012e+02 2.205077181e+02 3.510905382e+02 1.34 5.530683676e+02 3.237063337e+02 4.895381510e+02 5.530409788e+02 5.531366434e+02 1.840658142e+02 3.318079389e+02 5.077386845e+02 2.036971469e+02 3.262091721e+02 1.36 5.185659061e+02 2.999051635e+02 4.579464160e+02 5.186102666e+02 5.186522757e+02 1.717829356e+02 3.079456530e+02 4.753899003e+02 1.881184107e+02 3.031254737e+02 1.38 4.861367611e+02 2.775372334e+02 4.280583096e+02 4.862442176e+02 4.862367641e+02 1.603139556e+02 2.856366986e+02 4.450041345e+02 1.737059421e+02 2.817105529e+02 1.40 4.556500173e+02 2.565457220e+02 3.997516531e+02 4.557959524e+02 4.557611232e+02 1.495725973e+02 2.647893374e+02 4.164148867e+02 1.603623068e+02 2.617938683e+02 1.42 4.270126282e+02 2.368630862e+02 3.730129439e+02 4.271450075e+02 4.270984872e+02 1.395134855e+02 2.453168370e+02 3.894907995e+02 1.479856217e+02 2.432197167e+02 1.44 4.000681338e+02 2.184084237e+02 3.478661631e+02 4.001473572e+02 4.001095000e+02 1.301069885e+02 2.271352110e+02 3.640826728e+02 1.365087829e+02 2.258650196e+02 1.46 3.746117185e+02 2.011221353e+02 3.242695038e+02 3.746417373e+02 3.746360056e+02 1.213140563e+02 2.101710733e+02 3.400751643e+02 1.258699120e+02 2.096562978e+02 1.48 3.505058307e+02 1.849647954e+02 3.021284881e+02 3.505095395e+02 3.505452572e+02 1.130906881e+02 1.943638333e+02 3.173788579e+02 1.160040405e+02 1.945341508e+02 1.50 3.276690591e+02 1.699039068e+02 2.813674428e+02 3.276740981e+02 3.277443419e+02 1.054130710e+02 1.796376141e+02 2.959115153e+02 1.068508860e+02 1.803995666e+02 1.52 3.060693110e+02 1.558756691e+02 2.618801021e+02 3.060682335e+02 3.061540681e+02 9.824205860e+01 1.659214510e+02 2.756165832e+02 9.836280350e+01 1.672046207e+02 1.54 2.856528967e+02 1.427934554e+02 2.435127921e+02 2.856285843e+02 2.857104259e+02 9.149786164e+01 1.531395355e+02 2.564427506e+02 9.049864308e+01 1.549035544e+02 1.56 2.663032402e+02 1.305983255e+02 2.261480540e+02 2.662773450e+02 2.663506133e+02 8.511902344e+01 1.412309158e+02 2.383295067e+02 8.320747212e+01 1.434136099e+02 1.58 2.479615632e+02 1.192578913e+02 2.097284806e+02 2.479667824e+02 2.480365859e+02 7.907325065e+01 1.301552270e+02 2.212463443e+02 7.644615079e+01 1.326595930e+02 1.60 2.306125716e+02 1.087546773e+02 1.942429889e+02 2.306697180e+02 2.307410280e+02 7.335141292e+01 1.198716805e+02 2.051747519e+02 7.018235953e+01 1.225929837e+02 1.62 2.142469802e+02 9.906729939e+01 1.796631608e+02 2.143636156e+02 2.144383870e+02 6.794369698e+01 1.103090241e+02 1.901060107e+02 6.438491332e+01 1.131835151e+02 1.64 1.988764557e+02 9.015970072e+01 1.659335464e+02 1.990210868e+02 1.990901561e+02 6.281419150e+01 1.014005633e+02 1.760080044e+02 5.900893269e+01 1.044177348e+02 1.66 1.844871398e+02 8.197009181e+01 1.530364402e+02 1.846143425e+02 1.846653992e+02 5.794749229e+01 9.309943850e+01 1.628233716e+02 5.401463655e+01 9.627427037e+01 1.68 1.710204257e+02 7.442607713e+01 1.409585146e+02 1.711018354e+02 1.711259333e+02 5.333598140e+01 8.536609292e+01 1.504803090e+02 4.937274877e+01 8.870099670e+01 1.70 1.584101645e+02 6.746464240e+01 1.296868533e+02 1.584359669e+02 1.584268659e+02 4.898455241e+01 7.816984396e+01 1.389135743e+02 4.505854948e+01 8.164681309e+01 1.72 1.466077609e+02 6.102355381e+01 1.192006674e+02 1.465741190e+02 1.465270055e+02 4.489580968e+01 7.148334170e+01 1.280660128e+02 4.104722618e+01 7.508558354e+01 1.74 1.355488243e+02 5.505011946e+01 1.094709604e+02 1.354558611e+02 1.353750348e+02 4.107156958e+01 6.527644071e+01 1.178819957e+02 3.731190451e+01 6.898677909e+01 1.76 1.251503330e+02 4.951803270e+01 1.004470510e+02 1.250162022e+02 1.249173086e+02 3.750116925e+01 5.952667457e+01 1.083083672e+02 3.383172963e+01 6.330321970e+01 1.78 1.153303688e+02 4.441801233e+01 9.206690280e+01 1.151937556e+02 1.150991059e+02 3.416661582e+01 5.421317696e+01 9.930735857e+01 3.058758431e+01 5.798377979e+01 1.80 1.060489701e+02 3.974254908e+01 8.428053479e+01 1.059426609e+02 1.058672543e+02 3.105580058e+01 4.930248355e+01 9.087302788e+01 2.757008896e+01 5.300594426e+01 1.82 9.731175249e+01 3.547259918e+01 7.704264110e+01 9.725031038e+01 9.720090919e+01 2.815907944e+01 4.475855067e+01 8.300999460e+01 2.477252391e+01 4.836498428e+01 1.84 8.913220899e+01 3.158944786e+01 7.030568404e+01 8.910954463e+01 8.908446093e+01 2.546099979e+01 4.055345828e+01 7.571599318e+01 2.218876695e+01 4.405526386e+01 1.86 8.150082681e+01 2.806483405e+01 6.402512624e+01 8.150681859e+01 8.150332768e+01 2.293664053e+01 3.666193605e+01 6.896700552e+01 1.981248591e+01 4.005089265e+01 1.88 7.440852328e+01 2.486780129e+01 5.817129145e+01 7.443439073e+01 7.444999026e+01 2.056674818e+01 3.306267861e+01 6.273741531e+01 1.763188015e+01 3.633089409e+01 1.90 6.784187315e+01 2.197109390e+01 5.273085350e+01 6.788348336e+01 6.791599166e+01 1.834254416e+01 2.974472157e+01 5.699927793e+01 1.563647440e+01 3.288005532e+01 1.92 6.178735878e+01 1.935562144e+01 4.770356119e+01 6.184176701e+01 6.188759494e+01 1.626688059e+01 2.669571613e+01 5.172384791e+01 1.381073006e+01 2.968642445e+01 1.94 5.622252238e+01 1.699993772e+01 4.308727447e+01 5.628072177e+01 5.633428371e+01 1.434653836e+01 2.390227587e+01 4.687604626e+01 1.213691081e+01 2.673773672e+01 1.96 5.111159036e+01 1.487896531e+01 3.886968663e+01 5.116595993e+01 5.122189535e+01 1.258112957e+01 2.134418158e+01 4.241798389e+01 1.059905277e+01 2.402269126e+01 1.98 4.641144613e+01 1.296717924e+01 3.501861836e+01 4.645759459e+01 4.651177158e+01 1.095410210e+01 1.900401758e+01 3.831396775e+01 9.183228737e+00 2.152501279e+01 2.00 4.208229044e+01 1.124712124e+01 3.150666373e+01 4.211958434e+01 4.216845870e+01 9.455994785e+00 1.686482787e+01 3.453338129e+01 7.878613733e+00 1.923357732e+01 2.02 3.808618629e+01 9.700600830e+00 2.830376110e+01 3.811873705e+01 3.816048904e+01 8.077741043e+00 1.491014063e+01 3.104807954e+01 6.677137365e+00 1.713640972e+01 2.04 3.439682938e+01 8.304497677e+00 2.537847982e+01 3.442862738e+01 3.446182408e+01 6.809457992e+00 1.312394816e+01 2.783698956e+01 5.572563020e+00 1.521567856e+01 2.06 3.099613241e+01 7.036688859e+00 2.269578855e+01 3.102507246e+01 3.104791055e+01 5.638317198e+00 1.148963920e+01 2.488241715e+01 4.556267849e+00 1.345176990e+01 2.08 2.786841690e+01 5.877620850e+00 2.022741495e+01 2.788828208e+01 2.789939359e+01 4.553138799e+00 9.991957760e+00 2.216565251e+01 3.618463474e+00 1.182590130e+01 2.10 2.497961521e+01 4.818291717e+00 1.795194975e+01 2.498808998e+01 2.498913134e+01 3.533662826e+00 8.615087037e+00 1.966504019e+01 2.747970463e+00 1.031928351e+01 2.12 2.229452308e+01 3.851079537e+00 1.585067314e+01 2.229469906e+01 2.229041099e+01 2.511674362e+00 7.344491004e+00 1.736468030e+01 1.897295799e+00 8.913220241e+00 2.14 1.980782417e+01 2.971555319e+00 1.391506576e+01 1.980269353e+01 1.979694038e+01 1.533927240e+00 6.171364761e+00 1.525571331e+01 1.067234616e+00 7.601257126e+00 2.16 1.751758568e+01 2.173544277e+00 1.212967749e+01 1.750753334e+01 1.749999869e+01 6.494532234e-01 5.088980459e+00 1.333039544e+01 2.899593222e-01 6.380259756e+00 2.18 1.541653239e+01 1.445365294e+00 1.048957863e+01 1.540201124e+01 1.539092595e+01 -1.112127875e-01 4.092519841e+00 1.158068133e+01 -4.109899516e-01 5.245738463e+00 2.20 1.349705383e+01 7.687210304e-01 8.992208244e+00 1.347810217e+01 1.346120132e+01 -7.373825839e-01 3.176149079e+00 9.997423515e+00 -1.020444578e+00 4.197592234e+00 2.22 1.175079372e+01 1.286942007e-01 7.627858252e+00 1.172514583e+01 1.170024399e+01 -1.226245785e+00 2.336455253e+00 8.566689821e+00 -1.532710144e+00 3.237331269e+00 2.24 1.016775832e+01 -4.649773757e-01 6.393849893e+00 1.013347818e+01 1.009923614e+01 -1.589915124e+00 1.548492713e+00 7.272390088e+00 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