{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.271696 2.59158 0.2830491 ] [ 1.885666 2.994299 3.04756 ] [ 2.618377 0.6246748 1.626494 ] [ 2.195128 4.700519 1.092758 ] [ 3.86025 2.803257 1.694059 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.271696e-10 2.59158e-10 2.830491e-11 ] [ 1.885666e-10 2.994299e-10 3.04756e-10 ] [ 2.618377e-10 6.246748e-11 1.626494e-10 ] [ 2.195128e-10 4.700519e-10 1.092758e-10 ] [ 3.86025e-10 2.803257e-10 1.694059e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0204072 -1.4471212 -3.8009341 ] [ 0.2843698 0.2113166 -0.109472 ] [ 0.1803175 0.5902431 0.180085 ] [ -0.1860334 0.7210726 0.7711806 ] [ 2.7417534 -0.0755113 2.9591404 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.83922580113599e-09 -2.318543754104041e-09 -6.089767752221489e-09 ] [ 4.556106452215718e-10 3.385665161069453e-10 -1.753934790322176e-10 ] [ 2.889004828211039e-10 9.456736954085165e-10 2.88527976756768e-10 ] [ -2.980583641679347e-10 1.15528566161947e-09 1.235567527734517e-09 ] [ 4.392773197478911e-09 -1.20982439466215e-10 4.74106556654476e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.273289 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.806180007532181e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0227241 2.432613 -0.3134345 ] [ 1.9864774 3.1469405 3.2915056 ] [ 2.5830253 1.0606655 1.5058134 ] [ 2.2328859 4.2304998 1.1801955 ] [ 4.0060042 2.8436111 2.07984 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0227241e-10 2.432613e-10 -3.134345e-11 ] [ 1.9864774e-10 3.1469405e-10 3.2915056e-10 ] [ 2.5830253e-10 1.0606655e-10 1.5058134e-10 ] [ 2.2328859e-10 4.2304998e-10 1.1801955e-10 ] [ 4.006004199999999e-10 2.8436111e-10 2.07984e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.348876 -0.0486977 -0.1196405 ] [ -0.0703876 -0.058067 -0.0286661 ] [ 0.1081398 0.2083654 -0.0687424 ] [ 0.1840788 -0.1506818 -0.0727519 ] [ 0.127045 0.0490811 0.2898009 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.589609707582209e-10 -7.802231642673215e-11 -1.916852120008224e-10 ] [ -1.127733671142221e-10 -9.303358983999361e-11 -4.592815522951488e-11 ] [ 1.732590593379878e-10 3.338381724636403e-10 -1.101374661376819e-10 ] [ 2.94926749744919e-10 -2.414188571400615e-10 -1.165613932987795e-10 ] [ 2.03548528789536e-10 7.863659094314688e-11 4.643122266667987e-10 ] ] } "relaxed-potential-energy" { "source-value" -13.506575 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.163991869208176e-18 } }