{ "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" [ [ 0.4147919 0.1188417 2.672415 ] [ 0.6892124 1.667561 0.0898235 ] [ 0.5303116 1.702107 2.13154 ] [ 2.147495 1.160279 2.850921 ] [ 1.555523 2.957039 1.141113 ] [ 2.952569 2.336763 2.431712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.147919e-11 1.188417e-11 2.672415e-10 ] [ 6.892124e-11 1.667561e-10 8.98235e-12 ] [ 5.303116e-11 1.702107e-10 2.13154e-10 ] [ 2.147495e-10 1.160279e-10 2.850921e-10 ] [ 1.555523e-10 2.957039e-10 1.141113e-10 ] [ 2.952569e-10 2.336763e-10 2.431712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -46.8593373 -126.0460699 25.2582458 ] [ -15.8551763 -32.1440959 -67.6660299 ] [ -23.9051073 78.4755138 33.1740053 ] [ -94.2888819 -173.3301016 78.1969755 ] [ 34.6130684 57.2456963 -2.2096264 ] [ 146.2954345 195.7990572 -66.7535702 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.507693468824139e-08 -2.019480663375026e-07 4.046817090317979e-08 ] [ -2.540279278652225e-08 -5.150051894773314e-08 -1.084129311281338e-07 ] [ -3.830020403377542e-08 1.257316335156278e-07 5.315061570995529e-08 ] [ -1.510674421815523e-07 -2.777054364644087e-07 1.252853659633704e-07 ] [ 5.545624896463127e-08 9.171771625327706e-08 -3.540211758782469e-09 ] [ 2.343911248856777e-07 3.137046718205219e-07 -1.069510095293716e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 111.31328 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.783435348005642e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.6033509 -0.6142903 2.5635567 ] [ 0.3114374 1.7689419 -0.3646004 ] [ -0.0296053 1.9038316 2.2276809 ] [ 2.0230171 1.1987774 3.7491676 ] [ 1.7490211 3.4372274 0.998678 ] [ 3.6326818 2.2481027 2.1430418 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.033509e-11 -6.142903e-11 2.5635567e-10 ] [ 3.114374e-11 1.7689419e-10 -3.646004e-11 ] [ -2.96053e-12 1.9038316e-10 2.2276809e-10 ] [ 2.0230171e-10 1.1987774e-10 3.7491676e-10 ] [ 1.7490211e-10 3.4372274e-10 9.98678e-11 ] [ 3.6326818e-10 2.2481027e-10 2.1430418e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-05 -2.32e-05 3.06e-05 ] [ 3.51e-05 -1.42e-05 2.55e-05 ] [ -1.53e-05 1.97e-05 -3.24e-05 ] [ 4.2e-06 -1.88e-05 -1.46e-05 ] [ -2.76e-05 5.08e-05 1.05e-05 ] [ 1.35e-05 -1.44e-05 -1.96e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-14 -3.717049760256e-14 4.902660459647999e-14 ] [ 5.623639939008e-14 -2.275090801536e-14 4.08555038304e-14 ] [ -2.451330229824e-14 3.156287942976e-14 -5.191052251392001e-14 ] [ 6.72914180736e-15 -3.012092047104e-14 -2.339177866368e-14 ] [ -4.422007473408001e-14 8.139057233664001e-14 1.68228545184e-14 ] [ 2.16293843808e-14 -2.307134333952e-14 -3.140266176767999e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.059715 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.053702977211108e-18 } }