# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Shim-J-H-Lee-Y-S-Fleury-E-et-al--V-H # implementation = 2011--Shim-J-H--V-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 3.104641202e+01 nan nan nan nan 0.68 nan nan nan nan nan 2.785338756e+01 nan nan nan nan 0.70 nan nan nan nan nan 2.496705265e+01 nan nan 3.691329379e+01 nan 0.72 nan nan nan nan nan 2.235918399e+01 nan nan 3.297265430e+01 nan 0.74 nan nan nan nan nan 2.000408027e+01 nan nan 2.943228043e+01 nan 0.76 nan nan nan nan nan 1.787834178e+01 nan nan 2.625264791e+01 nan 0.78 nan 5.861869970e+01 nan nan nan 1.596066869e+01 3.283257644e+01 nan 2.339807260e+01 3.550601278e+01 0.80 nan 5.255510092e+01 nan nan nan 1.423167680e+01 2.954183889e+01 nan 2.083634068e+01 3.202451740e+01 0.82 nan 4.710031698e+01 nan nan nan 1.267372923e+01 2.656438462e+01 nan 1.853837425e+01 2.886777324e+01 0.84 nan 4.219444480e+01 4.328433253e+01 nan nan 1.127078251e+01 2.387138077e+01 nan 1.647792902e+01 2.600647963e+01 0.86 7.555291744e+01 3.778339156e+01 3.916654748e+01 7.555291744e+01 7.555291744e+01 1.000824617e+01 2.143658547e+01 6.950341123e+01 1.463132108e+01 2.341391737e+01 0.88 6.865090677e+01 3.381831695e+01 3.542534618e+01 6.865090677e+01 6.865090677e+01 8.872854311e+00 1.923611903e+01 6.301753376e+01 1.297717974e+01 2.106572521e+01 0.90 6.236257822e+01 3.025512861e+01 3.202722138e+01 6.236257822e+01 6.236257822e+01 7.852548437e+00 1.724825523e+01 5.712039408e+01 1.149622431e+01 1.893969573e+01 0.92 5.663444651e+01 2.705402556e+01 2.894158741e+01 5.663444651e+01 5.663444651e+01 6.936370348e+00 1.545323056e+01 5.175962392e+01 1.017106204e+01 1.701558822e+01 0.94 5.141761689e+01 2.417908531e+01 2.614052959e+01 5.141761689e+01 5.141761689e+01 6.114364499e+00 1.383307040e+01 4.688744151e+01 8.986005771e+00 1.527495800e+01 0.96 4.666739566e+01 2.159789022e+01 2.359857444e+01 4.666739566e+01 4.666739566e+01 5.377488678e+00 1.237143013e+01 4.246025476e+01 7.926908786e+00 1.370100002e+01 0.98 4.234293391e+01 1.928118967e+01 2.129247977e+01 4.234293391e+01 4.234293391e+01 4.717532637e+00 1.105345030e+01 3.843829844e+01 6.981015778e+00 1.227840608e+01 1.00 3.840690075e+01 1.720259441e+01 1.920104236e+01 3.840690075e+01 3.840690075e+01 4.127043709e+00 9.865624377e+00 3.478530242e+01 6.136827988e+00 1.099323417e+01 1.02 3.482518428e+01 1.533830023e+01 1.730492210e+01 3.482518428e+01 3.482518428e+01 3.599259001e+00 8.795678156e+00 3.146818855e+01 5.383981370e+00 9.832789064e+00 1.04 3.156661768e+01 1.366683804e+01 1.558648111e+01 3.156661768e+01 3.156661768e+01 3.128043505e+00 7.832459719e+00 2.845679333e+01 4.713136459e+00 8.785513259e+00 1.06 2.860272822e+01 1.216884779e+01 1.402963648e+01 2.860272822e+01 2.860272822e+01 2.707833617e+00 6.965839050e+00 2.572361458e+01 4.115878817e+00 7.840887171e+00 1.08 2.590750766e+01 1.082687426e+01 1.261972569e+01 2.590750766e+01 2.590750766e+01 2.333585672e+00 6.186616523e+00 2.324357984e+01 3.584629092e+00 6.989338068e+00 1.10 2.345720177e+01 9.625182216e+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 2.123011783e+01 8.549589450e+00 1.018842888e+01 2.123011783e+01 2.123011783e+01 1.705122835e+00 4.857725697e+00 1.895354931e+01 2.693531373e+00 5.531421504e+00 1.14 1.920644818e+01 7.587315811e+00 9.143762982e+00 1.920644818e+01 1.920644818e+01 1.443017849e+00 4.293594863e+00 1.710374175e+01 2.322006757e+00 4.909928624e+00 1.16 1.736810892e+01 6.726846756e+00 8.199274009e+00 1.736810892e+01 1.736810892e+01 1.211019986e+00 3.787804438e+00 1.542711646e+01 1.993010445e+00 4.351128931e+00 1.18 1.569859206e+01 5.957810022e+00 7.345751585e+00 1.569859206e+01 1.569859206e+01 1.006058304e+00 3.334692422e+00 1.390791666e+01 1.702064760e+00 3.849069796e+00 1.20 1.418283033e+01 5.270864191e+00 6.574807995e+00 1.418283033e+01 1.418283033e+01 8.253553872e-01 2.929124734e+00 1.253178957e+01 1.445142808e+00 3.398342249e+00 1.22 1.280707336e+01 4.657597986e+00 5.878806216e+00 1.280707336e+01 1.280707336e+01 6.664004049e-01 2.566447320e+00 1.128566335e+01 1.218624235e+00 2.994032625e+00 1.24 1.155877443e+01 4.110439288e+00 5.250794185e+00 1.155877443e+01 1.155877443e+01 5.269245987e-01 2.242442526e+00 1.015763453e+01 1.019255282e+00 2.631678475e+00 1.26 1.042648681e+01 3.622572941e+00 4.684444717e+00 1.042648681e+01 1.042648681e+01 4.048789485e-01 1.953289359e+00 9.136865354e+00 8.441126880e-01 2.307228292e+00 1.28 9.399768912e+00 3.187866498e+00 4.174000591e+00 9.399768912e+00 9.399768912e+00 2.984138359e-01 1.695527281e+00 8.213489945e+00 6.905711014e-01 2.017004766e+00 1.30 8.469097518e+00 2.800803165e+00 3.714224410e+00 8.469097518e+00 8.469097518e+00 2.058605439e-01 1.466023255e+00 7.378528679e+00 5.562736517e-01 1.757671267e+00 1.32 7.625788400e+00 2.456421221e+00 3.300352754e+00 7.625788400e+00 7.625788400e+00 1.257144012e-01 1.261941714e+00 6.623809943e+00 4.391053649e-01 1.526201236e+00 1.34 6.861923726e+00 2.150259338e+00 2.928054352e+00 6.861923726e+00 6.861923726e+00 5.661946824e-02 1.080717245e+00 5.941898762e+00 3.371691803e-01 1.319850301e+00 1.36 6.170285611e+00 1.878307187e+00 2.593391830e+00 6.170285611e+00 6.170285611e+00 -2.645418616e-03 9.200297033e-01 5.326031600e+00 2.487642792e-01 1.136130806e+00 1.38 5.544295418e+00 1.636960860e+00 2.292786822e+00 5.544295418e+00 5.544295418e+00 -5.317931490e-02 7.777815831e-01 4.770056873e+00 1.723665434e-01 9.727886200e-01 1.40 4.977958175e+00 1.422982626e+00 2.022988084e+00 4.977958175e+00 4.977958175e+00 -9.597070787e-02 6.520774071e-01 4.268380644e+00 1.066109023e-01 8.277819625e-01 1.42 4.465811816e+00 1.233464602e+00 1.781042404e+00 4.465811816e+00 4.465811816e+00 -1.319079893e-01 5.412049923e-01 3.815917078e+00 5.027541563e-02 6.992621209e-01 1.44 4.002880729e+00 1.065795979e+00 1.564268033e+00 4.002880729e+00 4.002880729e+00 -1.617889855e-01 4.436183968e-01 3.408043214e+00 2.266904004e-03 5.855558615e-01 1.46 3.584633313e+00 9.176334413e-01 1.370230447e+00 3.584633313e+00 3.584633313e+00 -1.863296076e-01 3.579224172e-01 3.040557718e+00 -3.839200956e-02 4.851494100e-01 1.48 3.206943172e+00 7.868744806e-01 1.196720220e+00 3.206943172e+00 3.206943172e+00 -2.061717126e-01 2.828584903e-01 2.709643246e+00 -7.257458888e-02 3.966738515e-01 1.50 2.866053646e+00 6.716333262e-01 1.041732841e+00 2.866053646e+00 2.866053646e+00 -2.218902415e-01 2.172918756e-01 2.411832107e+00 -1.010605269e-01 3.188918296e-01 1.52 2.558545408e+00 5.702192349e-01 9.034502987e-01 2.558545408e+00 2.558545408e+00 -2.339996953e-01 1.602000084e-01 2.143974955e+00 -1.245454483e-01 2.506854370e-01 1.54 2.281306834e+00 4.811169115e-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 6.705608509e-01 2.031506956e+00 2.031506956e+00 -2.491819279e-01 6.784858028e-02 1.686948137e+00 -1.589249684e-01 1.390599478e-01 1.58 1.806570724e+00 3.345594625e-01 5.731064959e-01 1.806570724e+00 1.806570724e+00 -2.530317559e-01 3.101424513e-02 1.492826869e+00 -1.708634440e-01 9.390785592e-02 1.60 1.604156437e+00 2.748006523e-01 4.866353714e-01 1.604156437e+00 1.604156437e+00 -2.548358305e-01 -5.115598110e-04 1.318711000e+00 -1.799018834e-01 5.484794412e-02 1.62 1.422135109e+00 2.227189735e-01 4.100377000e-01 1.422135109e+00 1.422135109e+00 -2.548844533e-01 -2.733120078e-02 1.162661744e+00 -1.864283584e-01 2.121259958e-02 1.64 1.258571637e+00 1.774439446e-01 3.423091915e-01 1.258571637e+00 1.258571637e+00 -2.534354985e-01 -4.998547989e-02 1.022920979e+00 -1.907871176e-01 -7.599322813e-03 1.66 1.111707598e+00 1.381975664e-01 2.825413993e-01 1.111707598e+00 1.111707598e+00 -2.507176745e-01 -6.895956871e-02 8.978948614e-01 -1.932831633e-01 -3.212876235e-02 1.68 9.799455468e-01 1.042848746e-01 2.299129378e-01 9.799455468e-01 9.799455468e-01 -2.469334752e-01 -8.468838929e-02 7.861389054e-01 -1.941863691e-01 -5.286214278e-02 1.70 8.618346831e-01 7.508543326e-02 1.836814805e-01 8.618346831e-01 8.618346831e-01 -2.422618513e-01 -9.756149552e-02 6.863443803e-01 -1.937351844e-01 -7.023654577e-02 1.72 7.560577639e-01 5.004567612e-02 1.431764732e-01 7.560577639e-01 7.560577639e-01 -2.368606260e-01 -1.079274989e-01 5.973259272e-01 -1.921399668e-01 -8.464441200e-02 1.74 6.614191657e-01 2.867201411e-02 1.077925001e-01 6.614191657e-01 6.614191657e-01 -2.308686793e-01 -1.160980799e-01 5.180102794e-01 -1.895859773e-01 -9.643781115e-02 1.76 5.768339860e-01 1.052463263e-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 5.013181051e-01 -4.788088030e-03 5.025598379e-02 5.013181051e-01 5.013181051e-01 -2.175850760e-01 -1.269365123e-01 3.846940845e-01 -1.822331267e-01 -1.134105492e-01 1.80 4.339791156e-01 -1.761459130e-02 2.716660444e-02 4.339791156e-01 4.339791156e-01 -2.104932887e-01 -1.300741085e-01 3.290195436e-01 -1.777021974e-01 -1.191253286e-01 1.82 3.740080538e-01 -2.826465674e-02 7.315034088e-03 3.740080538e-01 3.740080538e-01 -2.032135799e-01 -1.319614539e-01 2.796835611e-01 -1.727524826e-01 -1.233026186e-01 1.84 3.206718559e-01 -3.701345632e-02 -9.658889058e-03 3.206718559e-01 3.206718559e-01 -1.958161540e-01 -1.327737135e-01 2.360364926e-01 -1.674790670e-01 -1.261441362e-01 1.86 2.733064824e-01 -4.410519979e-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 -4.975640956e-02 -3.623713397e-02 2.313106485e-01 2.313106485e-01 -1.809018503e-01 -1.317773006e-01 1.635184271e-01 -1.562801647e-01 -1.285196007e-01 1.90 1.941401103e-01 -5.415886211e-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 -5.748222891e-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 -5.987644673e-02 -6.162235489e-02 1.323523705e-01 1.323523705e-01 -1.589025238e-01 -1.255695328e-01 8.447740469e-02 -1.387812505e-01 -1.259608343e-01 1.96 1.068872955e-01 -6.147384454e-02 -6.709243302e-02 1.068872955e-01 1.068872955e-01 -1.518021986e-01 -1.226380640e-01 6.445511555e-02 -1.329507019e-01 -1.239403254e-01 1.98 8.454351137e-02 -6.239105099e-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 6.499254306e-02 -6.273070491e-02 -7.459172714e-02 6.499254306e-02 6.499254306e-02 -1.380887255e-01 -1.159388948e-01 3.194438626e-02 -1.214965581e-01 -1.186930214e-01 2.02 4.793789925e-02 -6.258298799e-02 -7.690711514e-02 4.793789925e-02 4.793789925e-02 -1.315071418e-01 -1.122914515e-01 1.891546766e-02 -1.159220856e-01 -1.156114267e-01 2.04 3.311210139e-02 -6.202699827e-02 -7.843183681e-02 3.311210139e-02 3.311210139e-02 -1.251244775e-01 -1.085128876e-01 7.721991737e-03 -1.104749052e-01 -1.123067879e-01 2.06 2.027398086e-02 -6.113197975e-02 -7.927328863e-02 2.027398086e-02 2.027398086e-02 -1.189488017e-01 -1.046454850e-01 -1.842906835e-03 -1.051695934e-01 -1.088312457e-01 2.08 9.206219195e-03 -5.995842319e-02 -7.952706589e-02 9.206219195e-03 9.206219196e-03 -1.129857867e-01 -1.007257524e-01 -9.965003298e-03 -1.000176108e-01 -1.052302711e-01 2.10 -2.868888780e-04 -5.855905097e-02 -7.927813931e-02 -2.868888780e-04 -2.868888775e-04 -1.072390269e-01 -9.678506661e-02 -1.681101336e-02 -9.502770724e-02 -1.015433803e-01 2.12 -8.381470095e-03 -5.697969767e-02 -7.860192085e-02 -8.381470095e-03 -8.381470095e-03 -1.017103234e-01 -9.285024971e-02 -2.253043528e-02 -9.020628221e-02 -9.780477958e-02 2.14 -1.523592246e-02 -5.526009726e-02 -7.756522872e-02 -1.523592246e-02 -1.523592246e-02 -9.639993769e-02 -8.894408720e-02 -2.725722048e-02 -8.555770448e-02 -9.404394623e-02 2.16 -2.099259645e-02 -5.343458614e-02 -7.622716048e-02 -2.099259645e-02 -2.099259645e-02 -9.130681579e-02 -8.508579307e-02 -3.111128861e-02 -8.108459556e-02 -9.028615155e-02 2.18 -2.577932330e-02 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