{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2043644 0.1512691 -0.7486853 ] [ -0.3706195 -2.3491224 -1.1473259 ] [ -4.8029927 1.5339238 2.0754389 ] [ -9.6673178 4.2979276 -2.3246769 ] [ 3.7796761 -3.9257791 3.9995973 ] [ 4.4327043 -7.8327769 -10.3419022 ] [ 6.424185 8.1245578 8.4875541 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.274278638038195e-10 2.423598154694573e-10 -1.199526083996634e-09 ] [ -5.937978981125856e-10 -3.763708988677586e-09 -1.838218733418319e-09 ] [ -7.695242613813068e-09 2.457616850448695e-09 3.325219683478869e-09 ] [ -1.548875056500369e-08 6.886039118611055e-09 -3.72454298009382e-09 ] [ 6.055708681616523e-09 -6.289791492445266e-09 6.408061286674803e-09 ] [ 7.10197519637963e-09 -1.25494920251223e-08 -1.656955391944008e-08 ] [ 1.029267901469405e-08 1.301697656149828e-08 1.359856074679519e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.693368 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.873484082801085e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0569379 3.0388878 1.2082501 ] [ 1.5346177 1.2989074 2.8209331 ] [ 0.9727591 3.067876 4.5045005 ] [ 1.5075448 4.7687004 2.8545604 ] [ 3.452809 2.3975518 4.1716017 ] [ 4.3938719 3.1147997 1.8670951 ] [ 3.8320476 4.8837898 3.5506524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0569379e-10 3.0388878e-10 1.2082501e-10 ] [ 1.5346177e-10 1.2989074e-10 2.8209331e-10 ] [ 9.727591e-11 3.067876e-10 4.5045005e-10 ] [ 1.5075448e-10 4.7687004e-10 2.8545604e-10 ] [ 3.452809e-10 2.3975518e-10 4.1716017e-10 ] [ 4.3938719e-10 3.1147997e-10 1.8670951e-10 ] [ 3.8320476e-10 4.8837898e-10 3.5506524e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.8e-06 -6.7e-06 8.5e-06 ] [ -1.31e-05 -1.18e-05 1e-06 ] [ 1.82e-05 8.2e-06 -5e-07 ] [ -4e-06 9.6e-06 -3.1e-06 ] [ -5.5e-06 -8.5e-06 -9.5e-06 ] [ 5.5e-06 6.9e-06 -1.6e-06 ] [ -1.09e-05 2.2e-06 5.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.570133088384e-14 -1.073458335936e-14 1.36185012768e-14 ] [ -2.098851373248e-14 -1.890568412544e-14 1.6021766208e-15 ] [ 2.915961449856e-14 1.313784829056e-14 -8.010883104e-16 ] [ -6.4087064832e-15 1.538089555968e-14 -4.96674752448e-15 ] [ -8.8119714144e-15 -1.36185012768e-14 -1.52206778976e-14 ] [ 8.8119714144e-15 1.105501868352e-14 -2.56348259328e-15 ] [ -1.746372516672e-14 3.52478856576e-15 8.491536090240001e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.735789 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.841586648724181e-18 } }