{ "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" [ [ 0.3972134 0.263367 0.4596885 ] [ -0.0601364 -0.1919005 -1.483581 ] [ -0.5803942 0.3261919 0.234276 ] [ -0.4799205 1.0279054 -0.5504397 ] [ 0.7407059 -0.0182408 -0.073023 ] [ 0.2777056 -0.8911227 -0.9657101 ] [ -0.1220568 -1.0676801 1.6728944 ] [ -0.173117 0.5514798 0.7058949 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.364060281916955e-10 4.21960453566678e-10 7.36502173618509e-10 ] [ -9.634913493287758e-11 -3.074584971529169e-10 -2.376958812846354e-09 ] [ -9.298940257491226e-10 5.226170403800645e-10 3.75351533106984e-10 ] [ -7.689174112775969e-10 1.646886013842424e-09 -8.819016257659697e-10 ] [ 1.186741685645941e-09 -2.92249835454672e-11 -1.16995744344582e-10 ] [ 4.449334234509504e-10 -1.427735967966992e-09 -1.547238157437803e-09 ] [ -1.955565529808112e-10 -1.710612108806783e-09 2.680272318829449e-09 ] [ -2.77364012348178e-10 8.83568049682993e-10 1.130968314839767e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.495473 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.847219408737787e-18 } }