# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Byggmastar-J-Hodille-E-A-Ferro-Y-Nordlund-K--Be-O # implementation = 2018--Byggmastar-J--Be-O--LAMMPS--ipr1 # composition = Be # 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 5.542807186e+02 nan nan nan nan 0.54 nan nan nan nan nan 4.863362965e+02 nan nan nan nan 0.56 nan nan nan nan nan 4.276359911e+02 nan nan 4.863748591e+02 nan 0.58 nan nan nan nan nan 3.728855280e+02 nan nan 4.270251524e+02 nan 0.60 nan 5.205046940e+02 nan nan nan 3.242018455e+02 nan nan 3.772190945e+02 5.340446482e+02 0.62 nan 4.601940906e+02 nan nan nan 2.839177215e+02 4.775845024e+02 nan 3.345296565e+02 4.726796852e+02 0.64 nan 4.080582485e+02 nan nan nan 2.506039682e+02 4.229211604e+02 nan 2.965672197e+02 4.216037666e+02 0.66 nan 3.647110481e+02 5.049934703e+02 nan nan 2.220684707e+02 3.771096321e+02 nan 2.631322846e+02 3.773012329e+02 0.68 5.039091025e+02 3.270468168e+02 4.517415995e+02 5.023823511e+02 5.016439471e+02 1.963709585e+02 3.383702280e+02 4.670490817e+02 2.342268811e+02 3.363242156e+02 0.70 4.503785925e+02 2.945122569e+02 4.061279352e+02 4.502350267e+02 4.499331824e+02 1.736446650e+02 3.039450068e+02 4.171824522e+02 2.086699080e+02 2.993994462e+02 0.72 4.029536823e+02 2.659180018e+02 3.654835643e+02 4.043391455e+02 4.045941219e+02 1.538803119e+02 2.726585766e+02 3.741718239e+02 1.859654795e+02 2.683430350e+02 0.74 3.626490149e+02 2.407981064e+02 3.287037090e+02 3.641564585e+02 3.647072121e+02 1.367750650e+02 2.452232063e+02 3.376688876e+02 1.658812030e+02 2.418134672e+02 0.76 3.292790991e+02 2.182825663e+02 2.964801225e+02 3.296125072e+02 3.302438963e+02 1.216491506e+02 2.217802530e+02 3.068222654e+02 1.483237378e+02 2.184289522e+02 0.78 3.001143882e+02 1.985015741e+02 2.701071720e+02 2.996944520e+02 3.002279232e+02 1.087597781e+02 2.017064550e+02 2.798179308e+02 1.328077017e+02 1.971515777e+02 0.80 2.745662529e+02 1.810686241e+02 2.485824858e+02 2.736989215e+02 2.737401158e+02 9.823395392e+01 1.834817191e+02 2.560251135e+02 1.193772469e+02 1.782251949e+02 0.82 2.515079292e+02 1.648866201e+02 2.286186159e+02 2.506729889e+02 2.501405781e+02 8.886895936e+01 1.664466538e+02 2.343861212e+02 1.076135892e+02 1.612068886e+02 0.84 2.304204347e+02 1.496979597e+02 2.098566331e+02 2.302072578e+02 2.293878987e+02 8.038786157e+01 1.507571502e+02 2.148797766e+02 9.744194877e+01 1.457042455e+02 0.86 2.117095305e+02 1.359504128e+02 1.921779423e+02 2.118808325e+02 2.112124407e+02 7.237748184e+01 1.362498920e+02 1.977423412e+02 8.832006044e+01 1.320527389e+02 0.88 1.950365941e+02 1.237578739e+02 1.756553663e+02 1.953658324e+02 1.951293130e+02 6.464892249e+01 1.231561768e+02 1.823916499e+02 8.005693381e+01 1.197724332e+02 0.90 1.806455981e+02 1.123171320e+02 1.610035319e+02 1.805150350e+02 1.805336525e+02 5.765631667e+01 1.114570708e+02 1.681035998e+02 7.260576408e+01 1.092815294e+02 0.92 1.668605483e+02 1.011150436e+02 1.478516397e+02 1.664853896e+02 1.667513955e+02 5.142460945e+01 1.013370983e+02 1.538241826e+02 6.557510534e+01 9.998504928e+01 0.94 1.527422293e+02 9.066367086e+01 1.358944627e+02 1.527849798e+02 1.533167528e+02 4.616539017e+01 9.262578498e+01 1.398723810e+02 5.889451875e+01 9.166132046e+01 0.96 1.390245541e+02 8.149373482e+01 1.246174451e+02 1.395196887e+02 1.401460280e+02 4.191670759e+01 8.468686602e+01 1.270093492e+02 5.259209524e+01 8.428134953e+01 0.98 1.262935959e+02 7.372252277e+01 1.132258868e+02 1.270533684e+02 1.276623436e+02 3.781934724e+01 7.716372391e+01 1.156547597e+02 4.693107616e+01 7.744346604e+01 1.00 1.150623126e+02 6.730591343e+01 1.021726588e+02 1.158508542e+02 1.163321783e+02 3.386807696e+01 7.017673819e+01 1.059022506e+02 4.199739922e+01 7.063158592e+01 1.02 1.057975717e+02 6.160744480e+01 9.206197824e+01 1.061360736e+02 1.063304425e+02 3.018845276e+01 6.378476843e+01 9.738075432e+01 3.758078283e+01 6.390875141e+01 1.04 9.753067609e+01 5.626122223e+01 8.347969987e+01 9.737170160e+01 9.724806988e+01 2.689006035e+01 5.809344484e+01 8.939956666e+01 3.346183116e+01 5.753351156e+01 1.06 8.988167110e+01 5.110296581e+01 7.630198281e+01 8.938553358e+01 8.896451342e+01 2.398829769e+01 5.299004796e+01 8.198834649e+01 2.960464130e+01 5.174386149e+01 1.08 8.276888044e+01 4.605400631e+01 7.007815668e+01 8.207764931e+01 8.140331631e+01 2.146471446e+01 4.825950172e+01 7.510362320e+01 2.608098104e+01 4.661858574e+01 1.10 7.584408648e+01 4.117535516e+01 6.429593697e+01 7.511789224e+01 7.439485149e+01 1.914056714e+01 4.378106156e+01 6.848531300e+01 2.295931611e+01 4.194403911e+01 1.12 6.913270586e+01 3.662793539e+01 5.895493521e+01 6.855303611e+01 6.798594696e+01 1.702513665e+01 3.944110228e+01 6.225957060e+01 2.021549741e+01 3.749167688e+01 1.14 6.277129383e+01 3.257118233e+01 5.408517764e+01 6.247227973e+01 6.220232636e+01 1.513489656e+01 3.529572377e+01 5.659666838e+01 1.776604996e+01 3.323261511e+01 1.16 5.695343185e+01 2.910608823e+01 4.969094533e+01 5.690493521e+01 5.690686923e+01 1.347219016e+01 3.135493433e+01 5.151283407e+01 1.560629962e+01 2.932871670e+01 1.18 5.184723583e+01 2.620027629e+01 4.569848713e+01 5.196340079e+01 5.214882419e+01 1.199536709e+01 2.766580552e+01 4.691907063e+01 1.367904380e+01 2.595871203e+01 1.20 4.753900697e+01 2.365834881e+01 4.199019185e+01 4.770780700e+01 4.795203676e+01 1.064439011e+01 2.426213219e+01 4.282276201e+01 1.199213893e+01 2.327305622e+01 1.22 4.363253595e+01 2.130740463e+01 3.845432972e+01 4.383259061e+01 4.410267358e+01 9.408755477e+00 2.127082960e+01 3.901752087e+01 1.053164656e+01 2.099235024e+01 1.24 3.984581943e+01 1.908231106e+01 3.508961606e+01 4.011733432e+01 4.045116492e+01 8.279314572e+00 1.873929741e+01 3.541928302e+01 9.214801799e+00 1.881584627e+01 1.26 3.623939497e+01 1.700241593e+01 3.184354073e+01 3.657941144e+01 3.697288261e+01 7.232078797e+00 1.653931039e+01 3.208691445e+01 7.992740310e+00 1.676554791e+01 1.28 3.287267806e+01 1.508116594e+01 2.856714354e+01 3.320928636e+01 3.359051735e+01 6.235693178e+00 1.465221645e+01 2.907020248e+01 6.859798644e+00 1.486357367e+01 1.30 2.979879680e+01 1.326254777e+01 2.536516622e+01 3.006539689e+01 3.036892516e+01 5.312365755e+00 1.299379804e+01 2.640135625e+01 5.815170846e+00 1.312945863e+01 1.32 2.705839555e+01 1.155658291e+01 2.233938463e+01 2.720017314e+01 2.737319543e+01 4.477015461e+00 1.145202902e+01 2.403760446e+01 4.860439871e+00 1.157734146e+01 1.34 2.466922676e+01 9.984272657e+00 1.958173011e+01 2.464965261e+01 2.465821681e+01 3.732692338e+00 1.003369124e+01 2.186333622e+01 3.993380299e+00 1.021177544e+01 1.36 2.255224803e+01 8.529878516e+00 1.714264439e+01 2.237946363e+01 2.223346193e+01 3.074326749e+00 8.745024930e+00 1.980560838e+01 3.209383511e+00 8.996325002e+00 1.38 2.058281375e+01 7.183978165e+00 1.504417372e+01 2.031636340e+01 2.007549228e+01 2.494931735e+00 7.588356535e+00 1.779415797e+01 2.508764304e+00 7.875545204e+00 1.40 1.861566903e+01 5.963369456e+00 1.336515870e+01 1.834447521e+01 1.809804100e+01 1.988357578e+00 6.557017977e+00 1.578350588e+01 1.885390781e+00 6.816174490e+00 1.42 1.662002830e+01 4.889526693e+00 1.199387112e+01 1.640643296e+01 1.621691384e+01 1.538581351e+00 5.613423676e+00 1.383098363e+01 1.325505191e+00 5.811702962e+00 1.44 1.465623204e+01 3.981309839e+00 1.072115759e+01 1.450875287e+01 1.438401442e+01 1.127690272e+00 4.744070190e+00 1.198450939e+01 8.216179107e-01 4.874122579e+00 1.46 1.277301383e+01 3.185630157e+00 9.538771625e+00 1.269338710e+01 1.263368160e+01 7.526521203e-01 3.943366278e+00 1.028387336e+01 3.670156957e-01 4.011887336e+00 1.48 1.100733139e+01 2.478327205e+00 8.410753017e+00 1.099085601e+01 1.098947122e+01 4.289333026e-01 3.198569173e+00 8.770001207e+00 -3.971599652e-02 3.228941519e+00 1.50 9.394084110e+00 1.853549988e+00 7.314432463e+00 9.431052530e+00 9.476637808e+00 1.819033410e-01 2.506669379e+00 7.477160469e+00 -3.933074185e-01 2.525142884e+00 1.52 7.979039958e+00 1.284913683e+00 6.268203310e+00 8.054498988e+00 8.132101965e+00 1.716970159e-02 1.867916253e+00 6.380681234e+00 -6.944955217e-01 1.897424820e+00 1.54 6.816597196e+00 7.656676355e-01 5.286752865e+00 6.905289229e+00 6.992263632e+00 -6.877795663e-02 1.281426936e+00 5.483806234e+00 -9.473929694e-01 1.340806934e+00 1.56 5.912161819e+00 2.920165278e-01 4.379627110e+00 5.985514941e+00 6.057211517e+00 -9.193791336e-02 7.457010109e-01 4.684165995e+00 -1.159866846e+00 8.466679645e-01 1.58 5.097121341e+00 -1.417727798e-01 3.551918704e+00 5.153007120e+00 5.207871799e+00 -8.121243519e-02 2.591459325e-01 3.941445409e+00 -1.342182325e+00 3.960965687e-01 1.60 4.338712455e+00 -5.387761534e-01 2.806288011e+00 4.380816434e+00 4.422418365e+00 -7.441624860e-02 -1.797520166e-01 3.251782266e+00 -1.504615209e+00 -1.620470549e-02 1.62 3.633543871e+00 -9.014352893e-01 2.144537165e+00 3.666462680e+00 3.699228735e+00 -1.095481815e-01 -5.727723729e-01 2.610376013e+00 -1.633505493e+00 -3.928770911e-01 1.64 2.978418034e+00 -1.232042966e+00 1.566965603e+00 3.007147571e+00 3.035872508e+00 -2.137020270e-01 -9.210863093e-01 2.015419169e+00 -1.721969254e+00 -7.363901178e-01 1.66 2.370320190e+00 -1.532751803e+00 1.058064318e+00 2.398241565e+00 2.426162940e+00 -3.676844186e-01 -1.220790584e+00 1.465141930e+00 -1.774699802e+00 -1.049052601e+00 1.68 1.806408049e+00 -1.805582522e+00 5.881869795e-01 1.833642982e+00 1.860877915e+00 -5.116050346e-01 -1.470853147e+00 9.573911942e-01 -1.785993172e+00 -1.333022934e+00 1.70 1.283691558e+00 -2.052431716e+00 1.541410052e-01 1.309960348e+00 1.336229137e+00 -6.441545204e-01 -1.671145757e+00 4.904111981e-01 -1.766864945e+00 -1.583754330e+00 1.72 8.011280656e-01 -2.275079181e+00 -2.462553085e-01 8.251442270e-01 8.491603885e-01 -7.660063420e-01 -1.825465143e+00 6.560282913e-02 -1.732911424e+00 -1.778315471e+00 1.74 3.607590961e-01 -2.475194819e+00 -6.150609234e-01 3.808447242e-01 4.009303523e-01 -8.777977675e-01 -1.941796152e+00 -3.164843016e-01 -1.701096660e+00 -1.909268575e+00 1.76 -3.664894253e-02 -2.654345132e+00 -9.542187408e-01 -2.260373789e-02 -8.558533257e-03 -9.801317347e-01 -2.031681562e+00 -6.574548768e-01 -1.687359253e+00 -1.974153305e+00 1.78 -3.923072403e-01 -2.813999355e+00 -1.265561924e+00 -3.866820479e-01 -3.810568555e-01 -1.073578625e+00 -2.108669984e+00 -9.611103174e-01 -1.704040849e+00 -1.976518064e+00 1.80 -7.095785781e-01 -2.955535216e+00 -1.550819880e+00 -7.145808738e-01 -7.195831695e-01 -1.158677945e+00 -2.186097978e+00 -1.232914614e+00 -1.757362323e+00 -1.927615363e+00 1.82 -9.937236133e-01 -3.080244376e+00 -1.811623925e+00 -1.010742760e+00 -1.027761906e+00 -1.235939924e+00 -2.274754154e+00 -1.478015776e+00 -1.819702834e+00 -1.846880212e+00 1.84 -1.251236039e+00 -3.189337540e+00 -2.049512638e+00 -1.280173921e+00 -1.309111802e+00 -1.305847029e+00 -2.380147921e+00 -1.701481643e+00 -1.874336848e+00 -1.760559462e+00 1.86 -1.488882531e+00 -3.283949279e+00 -2.265936929e+00 -1.527726830e+00 -1.566571129e+00 -1.368855406e+00 -2.482178997e+00 -1.908158411e+00 -1.921802152e+00 -1.697962625e+00 1.88 -1.712659804e+00 -3.365142570e+00 -2.462264842e+00 -1.757557720e+00 -1.802455636e+00 -1.425396240e+00 -2.572365961e+00 -2.102121142e+00 -1.962603926e+00 -1.685454221e+00 1.90 -1.926904822e+00 -3.433913066e+00 -2.639786085e+00 -1.972849213e+00 -2.018793604e+00 -1.475877057e+00 -2.651523886e+00 -2.286315548e+00 -1.997216619e+00 -1.739500791e+00 1.92 -2.127323257e+00 -3.491193129e+00 -2.799716333e+00 -2.172055055e+00 -2.216786852e+00 -1.520682952e+00 -2.716416187e+00 -2.457177582e+00 -2.026085722e+00 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