{ "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" [ 5.44038 0 0 ] "si-unit" "m" "si-value" [ 5.44038e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0177809 5.34742 0 ] "si-unit" "m" "si-value" [ 1.77809e-12 5.34742e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.258508 -0.216411 5.45927 ] "si-unit" "m" "si-value" [ 2.58508e-11 -2.16411e-11 5.459270000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0111666 -0.0485116 -0.0844937 ] [ 1.40892 1.32935 1.34318 ] [ 0.251238 2.67562 2.78628 ] [ 1.4893 4.10816 4.17197 ] [ 2.79244 -0.0558727 2.81547 ] [ 4.18247 1.3542 3.88471 ] [ 2.61313 2.71504 -0.144964 ] [ 4.08224 4.0407 1.29994 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.11666e-12 -4.851160000000001e-12 -8.44937e-12 ] [ 1.40892e-10 1.32935e-10 1.34318e-10 ] [ 2.51238e-11 2.67562e-10 2.78628e-10 ] [ 1.4893e-10 4.10816e-10 4.17197e-10 ] [ 2.79244e-10 -5.58727e-12 2.81547e-10 ] [ 4.182470000000001e-10 1.3542e-10 3.88471e-10 ] [ 2.61313e-10 2.71504e-10 -1.44964e-11 ] [ 4.08224e-10 4.0407e-10 1.29994e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.7526719 21.5031929 17.4979322 ] [ 0.0816945 -3.8232726 -2.0094702 ] [ -1.7081329 4.4183425 -1.2356265 ] [ 17.8582019 -21.0412291 -16.7689095 ] [ -1.6709334 1.767861 -4.3564148 ] [ 4.6114733 -4.3471724 4.6149634 ] [ -1.9064073 4.5722133 2.1868123 ] [ 1.4867757 -3.0499355 0.070713 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.004509274324838e-08 3.44519132207747e-08 2.803477811415622e-08 ] [ 1.30889019026313e-10 -6.125558025132428e-09 -3.219526201159306e-09 ] [ -2.736730620146658e-09 7.078965114509144e-09 -1.979691906651201e-09 ] [ 2.86119938094344e-08 -3.371176561466085e-08 -2.686675497856062e-08 ] [ -2.677130450450176e-09 2.832425586359874e-09 -6.979746000571782e-09 ] [ 7.388394769574872e-09 -6.964938043249701e-09 7.393986526245194e-09 ] [ -3.054401230947028e-09 7.32549331492403e-09 3.503659570003798e-09 ] [ 2.382077286538993e-09 -4.886535393307106e-09 1.13294716320042e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -30.964769 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.961102936900754e-18 } }