{ "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" [ [ 2.674789 2.922951 1.929928 ] [ 1.975006 0.6488867 2.865648 ] [ 2.721706 2.680777 4.242411 ] [ 4.506989 0.6613651 2.267837 ] [ 4.914488 1.931532 3.86875 ] [ 3.976236 4.774813 0.5862588 ] [ 4.03158 4.218687 2.874326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.674789e-10 2.922951e-10 1.929928e-10 ] [ 1.975006e-10 6.488867e-11 2.865648e-10 ] [ 2.721706e-10 2.680777e-10 4.242411e-10 ] [ 4.506989e-10 6.613651e-11 2.267837e-10 ] [ 4.914488e-10 1.931532e-10 3.86875e-10 ] [ 3.976236e-10 4.774813e-10 5.862588e-11 ] [ 4.03158e-10 4.218687e-10 2.874326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3932337 -4.6751465 -1.9917431 ] [ 2.2745738 1.5656616 0.2307103 ] [ -0.116148 -0.8541266 -0.8091308 ] [ -5.0352734 -0.8041408 -4.7198647 ] [ 0.7554335 5.31744 4.1136779 ] [ -0.2881356 -0.6834143 0.3403397 ] [ 2.8027835 0.1337267 2.8360107 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.30029840650681e-10 -7.490410421114948e-09 -3.191124229459717e-09 ] [ 3.644268964644216e-09 2.508466411604321e-09 3.696386488377542e-10 ] [ -1.860896101526784e-10 -1.368461669723393e-09 -1.296370450929201e-09 ] [ -8.067397320816127e-09 -1.288375589591409e-09 -7.562056875679204e-09 ] [ 1.210337892269117e-09 8.519478050506752e-09 6.590838556881641e-09 ] [ -4.616441219401805e-10 -1.094950413780397e-09 5.452843104700858e-10 ] [ 4.490554196863997e-09 2.142537923167354e-10 4.543790039878642e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.098441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.860995876792817e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3215203 2.9225487 1.8971124 ] [ 2.4415549 0.8080339 2.9342413 ] [ 2.6245987 2.6550039 4.2926272 ] [ 4.2525827 1.4193177 1.6574676 ] [ 4.8378324 2.1768276 3.7852726 ] [ 4.3957764 3.6240867 0.9348326 ] [ 3.9269286 4.2331934 3.133605 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3215203e-10 2.9225487e-10 1.8971124e-10 ] [ 2.4415549e-10 8.080339e-11 2.9342413e-10 ] [ 2.6245987e-10 2.6550039e-10 4.2926272e-10 ] [ 4.2525827e-10 1.4193177e-10 1.6574676e-10 ] [ 4.8378324e-10 2.1768276e-10 3.7852726e-10 ] [ 4.3957764e-10 3.6240867e-10 9.348326e-11 ] [ 3.9269286e-10 4.233193400000001e-10 3.133605e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-05 6.6e-06 2.3e-06 ] [ 6.45e-05 3.48e-05 1.75e-05 ] [ -2e-05 1.54e-05 2.28e-05 ] [ 1.01e-05 7.7e-06 1.88e-05 ] [ -5.39e-05 -6.54e-05 -4.93e-05 ] [ -6.2e-06 -7e-06 -2.42e-05 ] [ -2.46e-05 7.8e-06 1.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-14 1.057436569728e-14 3.68500622784e-15 ] [ 1.033403920416e-13 5.575574640383999e-14 2.8038090864e-14 ] [ -3.2043532416e-14 2.467351996032e-14 3.652962695424e-14 ] [ 1.618198387008e-14 1.233675998016e-14 3.012092047104e-14 ] [ -8.635731986112e-14 -1.0478235100032e-13 -7.898730740544e-14 ] [ -9.93349504896e-15 -1.12152363456e-14 -3.877267422336e-14 ] [ -3.941354487168e-14 1.249697764224e-14 1.938633711168e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.235906 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.844326170190644e-18 } }