{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.601927 2.20995 2.424099 ] [ 1.129906 4.274554 2.615066 ] [ 2.801527 4.173724 0.979437 ] [ 2.35061 3.246819 4.113867 ] [ 5.119967 2.708037 1.074647 ] [ 4.165482 2.492594 3.422722 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.601927e-10 2.20995e-10 2.424099e-10 ] [ 1.129906e-10 4.274554e-10 2.615066e-10 ] [ 2.801527e-10 4.173724e-10 9.79437e-11 ] [ 2.35061e-10 3.246819e-10 4.113867e-10 ] [ 5.119967e-10 2.708037e-10 1.074647e-10 ] [ 4.165482e-10 2.492594e-10 3.422722e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3352838 -9.7689185 -6.6126079 ] [ -4.7917576 8.8065659 -1.1742096 ] [ 4.6856065 -2.9104696 -1.2778959 ] [ -0.6696047 3.6339301 10.7411852 ] [ -4.3942575 2.7022607 0.8855184 ] [ 6.5052969 -2.4633686 -2.5619902 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.139360486492983e-09 -1.56515328312006e-08 -1.059456577989739e-08 ] [ -7.677241999260718e-09 1.410967399451451e-08 -1.88129116903892e-09 ] [ 7.507169188568514e-09 -4.663086348669127e-09 -2.047414934796175e-09 ] [ -1.072824995517798e-09 5.822197847841406e-09 1.720927580712298e-08 ] [ -7.040376632275056e-09 4.329498916846643e-09 1.418756877768223e-09 ] [ 1.042263460454271e-08 -3.946751579332827e-09 -4.104760801158716e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.7990793 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.409767913902523e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.086538 2.1696689 2.0937546 ] [ 1.4398329 4.6796122 2.6420764 ] [ 2.6743389 3.5878186 0.7117178 ] [ 2.4164217 2.875832 4.1370468 ] [ 4.8615994 3.1322726 1.3877223 ] [ 4.6906881 2.6604736 3.65752 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.086538e-10 2.1696689e-10 2.0937546e-10 ] [ 1.4398329e-10 4.679612200000001e-10 2.6420764e-10 ] [ 2.6743389e-10 3.5878186e-10 7.117177999999999e-11 ] [ 2.4164217e-10 2.875832e-10 4.1370468e-10 ] [ 4.8615994e-10 3.1322726e-10 1.3877223e-10 ] [ 4.6906881e-10 2.6604736e-10 3.65752e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.5e-06 -4.9e-06 9.8e-06 ] [ 1.9e-06 1.6e-06 -1.19e-05 ] [ -4.7e-06 1.38e-05 -4.4e-06 ] [ -3.5e-06 -5.2e-06 1.2e-06 ] [ -1.6e-06 -9e-07 -5.6e-06 ] [ 4.5e-06 -4.5e-06 1.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.6076181728e-15 -7.850665441919999e-15 1.570133088384e-14 ] [ 3.04413557952e-15 2.56348259328e-15 -1.906590178752e-14 ] [ -7.53023011776e-15 2.211003736704e-14 -7.04957713152e-15 ] [ -5.6076181728e-15 -8.33131842816e-15 1.92261194496e-15 ] [ -2.56348259328e-15 -1.44195895872e-15 -8.972189076479999e-15 ] [ 7.2097947936e-15 -7.2097947936e-15 1.746372516672e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.424762 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.311101643700425e-18 } }