{ "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" [ 5.59774 0 0 ] "si-unit" "m" "si-value" [ 5.597740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.20689 5.51351 0 ] "si-unit" "m" "si-value" [ -2.0689e-11 5.513510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.513105 0.215809 5.94806 ] "si-unit" "m" "si-value" [ 5.131050000000001e-11 2.15809e-11 5.94806e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00246673 -0.00144352 -0.0330248 ] [ 1.48237 1.24989 1.2555 ] [ 0.11896 2.3805 2.33914 ] [ 1.62926 4.22989 4.16904 ] [ 2.92639 0.137476 2.28463 ] [ 4.54625 1.57381 3.68026 ] [ 3.00188 2.71108 0.0736878 ] [ 4.22934 4.27512 1.23802 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.46673e-13 -1.44352e-13 -3.30248e-12 ] [ 1.48237e-10 1.24989e-10 1.2555e-10 ] [ 1.1896e-11 2.3805e-10 2.33914e-10 ] [ 1.62926e-10 4.22989e-10 4.16904e-10 ] [ 2.92639e-10 1.37476e-11 2.28463e-10 ] [ 4.54625e-10 1.57381e-10 3.68026e-10 ] [ 3.00188e-10 2.71108e-10 7.36878e-12 ] [ 4.22934e-10 4.27512e-10 1.23802e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.5345252 0.2081089 -3.0211637 ] [ 0.6458799 0.7780836 -5.2551754 ] [ 1.2544848 7.7272475 -3.3263294 ] [ 1.7295074 0.7913187 1.8713872 ] [ 2.4959207 -2.6156509 5.6167837 ] [ -8.8170498 -0.8471279 11.188658 ] [ -0.170987 -3.024496 -8.5583184 ] [ -0.6722813 -3.017484 1.4841581 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.662933641068445e-09 3.334272141604052e-10 -4.840437847749625e-09 ] [ 1.034813675624642e-09 1.246627352947899e-09 -8.419719164083289e-09 ] [ 2.009906217708964e-09 1.238041528763525e-08 -5.329367197759692e-09 ] [ 2.770976321780594e-09 1.267832320741849e-09 2.998292820304374e-09 ] [ 3.998905792910771e-09 -4.190734720154479e-09 8.999079528230522e-09 ] [ -1.412647105398932e-08 -1.3572485162074e-09 1.792620626572689e-08 ] [ -2.739513738607296e-10 -4.845776780903117e-09 -1.371193765384246e-08 ] [ -1.077113381461031e-09 -4.834542318438067e-09 2.377883409390948e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.127262 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.025831172111625e-18 } }