# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Shim-J-H-Ko-W-S-Kim-K-H-et-al--V-Al-H # implementation = 2013--Shim-J-H--V-Al-H--LAMMPS--ipr1 # composition = H # 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 1.596066869e+01 nan nan nan nan 0.80 nan nan nan nan nan 1.423167683e+01 nan nan nan nan 0.82 nan nan nan nan nan 1.267372922e+01 nan nan 1.853837425e+01 nan 0.84 nan nan nan nan nan 1.127078252e+01 nan nan 1.647792903e+01 nan 0.86 nan nan nan nan nan 1.000824618e+01 nan nan 1.463132109e+01 nan 0.88 nan nan nan nan nan 8.872854311e+00 nan nan 1.297717974e+01 nan 0.90 nan 3.025512861e+01 nan nan nan 7.852548445e+00 nan nan 1.149622432e+01 1.893969574e+01 0.92 nan 2.705402556e+01 nan nan nan 6.936370357e+00 1.545323057e+01 nan 1.017106205e+01 1.701558823e+01 0.94 nan 2.417908531e+01 nan nan nan 6.114364496e+00 1.383307040e+01 nan 8.986005770e+00 1.527495799e+01 0.96 nan 2.159789023e+01 nan nan nan 5.377488690e+00 1.237143015e+01 nan 7.926908796e+00 1.370100004e+01 0.98 nan 1.928118967e+01 2.129247977e+01 nan nan 4.717532638e+00 1.105345030e+01 nan 6.981015779e+00 1.227840608e+01 1.00 nan 1.720259441e+01 1.920104236e+01 nan 3.840690075e+01 4.127043710e+00 9.865624380e+00 3.478530244e+01 6.136827991e+00 1.099323417e+01 1.02 3.482518431e+01 1.533830024e+01 1.730492212e+01 3.482518431e+01 3.482518431e+01 3.599259009e+00 8.795678167e+00 3.146818856e+01 5.383981377e+00 9.832789077e+00 1.04 3.156661767e+01 1.366683804e+01 1.558648111e+01 3.156661767e+01 3.156661767e+01 3.128043502e+00 7.832459719e+00 2.845679333e+01 4.713136459e+00 8.785513255e+00 1.06 2.860272823e+01 1.216884780e+01 1.402963649e+01 2.860272823e+01 2.860272823e+01 2.707833622e+00 6.965839057e+00 2.572361460e+01 4.115878820e+00 7.840887178e+00 1.08 2.590750767e+01 1.082687427e+01 1.261972570e+01 2.590750767e+01 2.590750767e+01 2.333585675e+00 6.186616526e+00 2.324357986e+01 3.584629096e+00 6.989338073e+00 1.10 2.345720177e+01 9.625182218e+00 1.134338340e+01 2.345720177e+01 2.345720177e+01 2.000728938e+00 5.486439388e+00 2.099383468e+01 3.112561699e+00 6.222156743e+00 1.12 2.123011784e+01 8.549589454e+00 1.018842889e+01 2.123011784e+01 2.123011784e+01 1.705122837e+00 4.857725700e+00 1.895354931e+01 2.693531376e+00 5.531421508e+00 1.14 1.920644818e+01 7.587315814e+00 9.143762988e+00 1.920644818e+01 1.920644818e+01 1.443017852e+00 4.293594866e+00 1.710374176e+01 2.322006759e+00 4.909928629e+00 1.16 1.736810891e+01 6.726846757e+00 8.199274007e+00 1.736810891e+01 1.736810891e+01 1.211019985e+00 3.787804438e+00 1.542711647e+01 1.993010445e+00 4.351128929e+00 1.18 1.569859207e+01 5.957810024e+00 7.345751592e+00 1.569859207e+01 1.569859207e+01 1.006058308e+00 3.334692426e+00 1.390791666e+01 1.702064762e+00 3.849069802e+00 1.20 1.418283033e+01 5.270864192e+00 6.574807995e+00 1.418283033e+01 1.418283033e+01 8.253553874e-01 2.929124735e+00 1.253178958e+01 1.445142808e+00 3.398342249e+00 1.22 1.280707336e+01 4.657597987e+00 5.878806217e+00 1.280707336e+01 1.280707336e+01 6.664004055e-01 2.566447321e+00 1.128566336e+01 1.218624236e+00 2.994032626e+00 1.24 1.155877444e+01 4.110439289e+00 5.250794190e+00 1.155877444e+01 1.155877444e+01 5.269246013e-01 2.242442529e+00 1.015763454e+01 1.019255284e+00 2.631678479e+00 1.26 1.042648681e+01 3.622572941e+00 4.684444716e+00 1.042648681e+01 1.042648681e+01 4.048789478e-01 1.953289358e+00 9.136865354e+00 8.441126875e-01 2.307228291e+00 1.28 9.399768916e+00 3.187866499e+00 4.174000594e+00 9.399768916e+00 9.399768916e+00 2.984138374e-01 1.695527282e+00 8.213489947e+00 6.905711027e-01 2.017004769e+00 1.30 8.469097521e+00 2.800803166e+00 3.714224412e+00 8.469097521e+00 8.469097521e+00 2.058605448e-01 1.466023256e+00 7.378528681e+00 5.562736525e-01 1.757671269e+00 1.32 7.625788400e+00 2.456421221e+00 3.300352754e+00 7.625788400e+00 7.625788400e+00 1.257144012e-01 1.261941714e+00 6.623809945e+00 4.391053650e-01 1.526201236e+00 1.34 6.861923728e+00 2.150259339e+00 2.928054354e+00 6.861923728e+00 6.861923728e+00 5.661946909e-02 1.080717246e+00 5.941898763e+00 3.371691810e-01 1.319850302e+00 1.36 6.170285614e+00 1.878307188e+00 2.593391831e+00 6.170285614e+00 6.170285614e+00 -2.645417734e-03 9.200297044e-01 5.326031601e+00 2.487642799e-01 1.136130807e+00 1.38 5.544295417e+00 1.636960861e+00 2.292786821e+00 5.544295417e+00 5.544295417e+00 -5.317931521e-02 7.777815827e-01 4.770056874e+00 1.723665433e-01 9.727886195e-01 1.40 4.977958178e+00 1.422982627e+00 2.022988086e+00 4.977958178e+00 4.977958178e+00 -9.597070678e-02 6.520774080e-01 4.268380647e+00 1.066109031e-01 8.277819642e-01 1.42 4.465811816e+00 1.233464603e+00 1.781042404e+00 4.465811816e+00 4.465811816e+00 -1.319079893e-01 5.412049924e-01 3.815917078e+00 5.027541574e-02 6.992621210e-01 1.44 4.002880730e+00 1.065795980e+00 1.564268034e+00 4.002880730e+00 4.002880730e+00 -1.617889854e-01 4.436183971e-01 3.408043214e+00 2.266904096e-03 5.855558617e-01 1.46 3.584633315e+00 9.176334418e-01 1.370230448e+00 3.584633315e+00 3.584633315e+00 -1.863296069e-01 3.579224181e-01 3.040557720e+00 -3.839200899e-02 4.851494111e-01 1.48 3.206943171e+00 7.868744806e-01 1.196720220e+00 3.206943171e+00 3.206943171e+00 -2.061717129e-01 2.828584902e-01 2.709643247e+00 -7.257458904e-02 3.966738512e-01 1.50 2.866053647e+00 6.716333264e-01 1.041732842e+00 2.866053647e+00 2.866053647e+00 -2.218902410e-01 2.172918760e-01 2.411832107e+00 -1.010605266e-01 3.188918303e-01 1.52 2.558545409e+00 5.702192350e-01 9.034502992e-01 2.558545409e+00 2.558545409e+00 -2.339996950e-01 1.602000086e-01 2.143974955e+00 -1.245454481e-01 2.506854374e-01 1.54 2.281306834e+00 4.811169114e-01 7.802242783e-01 2.281306834e+00 2.281306834e+00 -2.429600182e-01 1.106619114e-01 1.903212234e+00 -1.436494796e-01 1.910451811e-01 1.56 2.031506956e+00 4.029688586e-01 6.705608514e-01 2.031506956e+00 2.031506956e+00 -2.491819277e-01 6.784858054e-02 1.686948138e+00 -1.589249682e-01 1.390599482e-01 1.58 1.806570724e+00 3.345594626e-01 5.731064963e-01 1.806570724e+00 1.806570724e+00 -2.530317557e-01 3.101424541e-02 1.492826869e+00 -1.708634439e-01 9.390785625e-02 1.60 1.604156437e+00 2.748006522e-01 4.866353713e-01 1.604156437e+00 1.604156437e+00 -2.548358306e-01 -5.115598325e-04 1.318711000e+00 -1.799018835e-01 5.484794401e-02 1.62 1.422135110e+00 2.227189736e-01 4.100377005e-01 1.422135110e+00 1.422135110e+00 -2.548844531e-01 -2.733120049e-02 1.162661745e+00 -1.864283582e-01 2.121259997e-02 1.64 1.258571637e+00 1.774439447e-01 3.423091915e-01 1.258571637e+00 1.258571637e+00 -2.534354985e-01 -4.998547988e-02 1.022920979e+00 -1.907871176e-01 -7.599322804e-03 1.66 1.111707598e+00 1.381975664e-01 2.825413994e-01 1.111707598e+00 1.111707598e+00 -2.507176745e-01 -6.895956867e-02 8.978948615e-01 -1.932831633e-01 -3.212876229e-02 1.68 9.799455473e-01 1.042848747e-01 2.299129381e-01 9.799455473e-01 9.799455473e-01 -2.469334751e-01 -8.468838914e-02 7.861389056e-01 -1.941863690e-01 -5.286214256e-02 1.70 8.618346829e-01 7.508543323e-02 1.836814804e-01 8.618346829e-01 8.618346829e-01 -2.422618513e-01 -9.756149556e-02 6.863443804e-01 -1.937351845e-01 -7.023654583e-02 1.72 7.560577641e-01 5.004567616e-02 1.431764734e-01 7.560577641e-01 7.560577641e-01 -2.368606260e-01 -1.079274988e-01 5.973259274e-01 -1.921399668e-01 -8.464441188e-02 1.74 6.614191658e-01 2.867201410e-02 1.077925002e-01 6.614191658e-01 6.614191658e-01 -2.308686792e-01 -1.160980799e-01 5.180102794e-01 -1.895859773e-01 -9.643781108e-02 1.76 5.768339860e-01 1.052463262e-02 7.698324267e-02 5.768339860e-01 5.768339860e-01 -2.244079215e-01 -1.223516236e-01 4.474259904e-01 -1.862360732e-01 -1.059323212e-01 1.78 5.013181052e-01 -4.788088026e-03 5.025598386e-02 5.013181052e-01 5.013181052e-01 -2.175850759e-01 -1.269365123e-01 3.846940846e-01 -1.822331266e-01 -1.134105492e-01 1.80 4.339791157e-01 -1.761459129e-02 2.716660450e-02 4.339791157e-01 4.339791157e-01 -2.104932887e-01 -1.300741085e-01 3.290195436e-01 -1.777021974e-01 -1.191253285e-01 1.82 3.740080537e-01 -2.826465673e-02 7.315034073e-03 3.740080537e-01 3.740080537e-01 -2.032135799e-01 -1.319614539e-01 2.796835611e-01 -1.727524826e-01 -1.233026186e-01 1.84 3.206718560e-01 -3.701345631e-02 -9.658889006e-03 3.206718560e-01 3.206718560e-01 -1.958161539e-01 -1.327737135e-01 2.360364926e-01 -1.674790670e-01 -1.261441362e-01 1.86 2.733064824e-01 -4.410519978e-02 -2.407918105e-02 2.733064824e-01 2.733064824e-01 -1.883615790e-01 -1.326663856e-01 1.974914418e-01 -1.619644924e-01 -1.278297416e-01 1.88 2.313106485e-01 -4.975640957e-02 -3.623713396e-02 2.313106485e-01 2.313106485e-01 -1.809018503e-01 -1.317773006e-01 1.635184271e-01 -1.562801648e-01 -1.285196007e-01 1.90 1.941401103e-01 -5.415886212e-02 -4.639442536e-02 1.941401103e-01 1.941401103e-01 -1.734813466e-01 -1.302284281e-01 1.336390755e-01 -1.504876148e-01 -1.283561457e-01 1.92 1.613024578e-01 -5.748222895e-02 -5.478594370e-02 1.613024578e-01 1.613024578e-01 -1.661376908e-01 -1.281275095e-01 1.074217983e-01 -1.446396271e-01 -1.274658496e-01 1.94 1.323523705e-01 -5.987644677e-02 -6.162235489e-02 1.323523705e-01 1.323523705e-01 -1.589025238e-01 -1.255695328e-01 8.447740467e-02 -1.387812505e-01 -1.259608343e-01 1.96 1.068872955e-01 -6.147384459e-02 -6.709243304e-02 1.068872955e-01 1.068872955e-01 -1.518021986e-01 -1.226380640e-01 6.445511551e-02 -1.329507020e-01 -1.239403254e-01 1.98 8.454351137e-02 -6.239105104e-02 -7.136517622e-02 8.454351137e-02 8.454351137e-02 -1.448584045e-01 -1.194064485e-01 4.703894043e-02 -1.271801743e-01 -1.214919689e-01 2.00 6.499254303e-02 -6.273070495e-02 -7.459172716e-02 6.499254303e-02 6.499254303e-02 -1.380887255e-01 -1.159388948e-01 3.194438625e-02 -1.214965581e-01 -1.186930214e-01 2.02 4.793789921e-02 -6.258298803e-02 -7.690711517e-02 4.793789921e-02 4.793789921e-02 -1.315071418e-01 -1.122914515e-01 1.891546761e-02 -1.159220856e-01 -1.156114267e-01 2.04 3.311210141e-02 -6.202699830e-02 -7.843183680e-02 3.311210141e-02 3.311210141e-02 -1.251244774e-01 -1.085128876e-01 7.721991701e-03 -1.104749052e-01 -1.123067879e-01 2.06 2.027398079e-02 -6.113197977e-02 -7.927328867e-02 2.027398079e-02 2.027398079e-02 -1.189488017e-01 -1.046454851e-01 -1.842906839e-03 -1.051695934e-01 -1.088312457e-01 2.08 9.206219186e-03 -5.995842320e-02 -7.952706590e-02 9.206219186e-03 9.206219186e-03 -1.129857867e-01 -1.007257524e-01 -9.965003306e-03 -1.000176108e-01 -1.052302711e-01 2.10 -2.868888848e-04 -5.855905097e-02 -7.927813932e-02 -2.868888849e-04 -2.868888853e-04 -1.072390269e-01 -9.678506661e-02 -1.681101342e-02 -9.502770725e-02 -1.015433803e-01 2.12 -8.381470170e-03 -5.697969767e-02 -7.860192090e-02 -8.381470170e-03 -8.381470170e-03 -1.017103235e-01 -9.285024974e-02 -2.253043533e-02 -9.020628223e-02 -9.780477962e-02 2.14 -1.523592243e-02 -5.526009726e-02 -7.756522870e-02 -1.523592243e-02 -1.523592243e-02 -9.639993768e-02 -8.894408720e-02 -2.725722045e-02 -8.555770448e-02 -9.404394621e-02 2.16 -2.099259651e-02 -5.343458614e-02 -7.622716052e-02 -2.099259651e-02 -2.099259651e-02 -9.130681581e-02 -8.508579310e-02 -3.111128864e-02 -8.108459557e-02 -9.028615158e-02 2.18 -2.577932334e-02 -5.153273093e-02 -7.463988331e-02 -2.577932334e-02 -2.577932334e-02 -8.642878852e-02 -8.129142724e-02 -3.419990091e-02 -7.678808072e-02 -8.655293198e-02 2.20 -2.971080262e-02 -4.957988846e-02 -7.284934784e-02 -2.971080262e-02 -2.971080262e-02 -8.176274775e-02 -7.757426922e-02 -3.661890415e-02 -7.266801068e-02 -8.286251206e-02 2.22 -3.288986370e-02 -4.759770531e-02 -7.089593446e-02 -3.288986370e-02 -3.288986370e-02 -7.730480301e-02 -7.394515347e-02 -3.845385871e-02 -6.872315773e-02 -7.923018552e-02 2.24 -3.540860953e-02 -4.560456264e-02 -6.881503577e-02 -3.540860953e-02 -3.540860953e-02 -7.305041895e-02 -7.041276856e-02 -3.978105910e-02 -6.495138800e-02 -7.566865636e-02 2.26 -3.734945652e-02 -4.361597262e-02 -6.663758378e-02 -3.734945652e-02 -3.734945651e-02 -6.899453696e-02 -6.698392534e-02 -4.066845838e-02 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