{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.41394 0 0 ] "si-unit" "m" "si-value" [ 5.413940000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0321649 5.43167 0 ] "si-unit" "m" "si-value" [ 3.216490000000001e-12 5.431670000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.034689 -0.0250046 5.52467 ] "si-unit" "m" "si-value" [ -3.4689e-12 -2.50046e-12 5.52467e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0104706 0.0216981 0.0176006 ] [ 1.39448 1.38403 1.49781 ] [ 0.0179868 2.6904 2.7801 ] [ 1.33759 4.02716 4.17727 ] [ 2.6683 -0.0231463 2.83015 ] [ 4.02805 1.42643 4.22871 ] [ 2.71964 2.8128 -0.0574889 ] [ 4.09713 4.0529 1.34951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04706e-12 2.16981e-12 1.76006e-12 ] [ 1.39448e-10 1.38403e-10 1.49781e-10 ] [ 1.79868e-12 2.6904e-10 2.7801e-10 ] [ 1.33759e-10 4.02716e-10 4.17727e-10 ] [ 2.6683e-10 -2.31463e-12 2.83015e-10 ] [ 4.02805e-10 1.42643e-10 4.228710000000001e-10 ] [ 2.71964e-10 2.8128e-10 -5.74889e-12 ] [ 4.09713e-10 4.052900000000001e-10 1.34951e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0004141 0.4493115 0.9073555 ] [ 0.0847882 -0.2160551 -3.1892819 ] [ -1.1970388 0.6948263 0.9320508 ] [ -1.4065154 2.2135112 -1.6114413 ] [ 1.5879798 -0.3230023 0.4523053 ] [ 0.5062586 -1.6291329 -2.2454124 ] [ -0.2005205 -2.1932433 3.6336031 ] [ -0.375366 1.0037846 1.1208207 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.602840082138673e-09 7.198763807565792e-10 1.453743768854294e-09 ] [ 1.358456717597145e-10 -3.461584300246061e-10 -5.109792897320603e-09 ] [ -1.917867579550487e-09 1.113234453376967e-09 1.493310001157937e-09 ] [ -2.25348609067516e-09 3.546435894518953e-09 -2.581813576651559e-09 ] [ 2.54422410986266e-09 -5.175067335246279e-10 7.246729771239303e-10 ] [ 8.111156929989389e-10 -2.610158644556104e-09 -3.597547251334418e-09 ] [ -3.212692570911264e-10 -3.51396313898624e-09 5.821673936086405e-09 ] [ -6.014026294432128e-10 1.60824021843908e-09 1.795752721648691e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.365739 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.826433682391477e-18 } }