{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39854e-10 0.0 0.0 ] "source-value" [ 5.39854 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.97648e-12 5.43736e-10 0.0 ] "source-value" [ 0.0197648 5.43736 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.99081e-12 -2.13673e-11 5.1785e-10 ] "source-value" [ -0.0299081 -0.213673 5.1785 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.174997540851775e-09 5.496769019807359e-09 -4.201926084068429e-10 ] [ -4.868688066798219e-09 2.820348996527167e-09 -7.676874780379231e-09 ] [ -7.962552324709932e-09 7.000462567427039e-09 3.034504895852371e-10 ] [ -2.822838618778228e-09 2.232379977178714e-10 -4.352606469377793e-09 ] [ 8.730970170982214e-09 -6.837884578749276e-09 7.098173872129119e-09 ] [ 2.316380815665961e-09 -1.365678208280078e-09 -4.315140209971033e-09 ] [ 3.670232717437266e-09 9.014105221233371e-10 4.045789005623944e-09 ] [ -1.238502074433174e-09 -8.238666316573419e-09 5.317400540578937e-09 ] ] "source-value" [ [ 1.3575267 3.4308134 -0.2622636 ] [ -3.0387961 1.7603234 -4.7915284 ] [ -4.9698343 4.3693451 0.1893989 ] [ -1.7618773 0.1393342 -2.7166833 ] [ 5.449443 -4.2678719 4.4303317 ] [ 1.4457712 -0.8523893 -2.6932987 ] [ 2.2907791 0.5626162 2.5251829 ] [ -0.7730122 -5.1421711 3.3188604 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.57946e-11 -2.85755e-11 3.780800000000001e-11 ] [ 1.35651e-10 1.53389e-10 1.4884e-10 ] [ 2.92057e-13 2.68505e-10 2.57873e-10 ] [ 1.38402e-10 4.097260000000001e-10 4.02157e-10 ] [ 2.45639e-10 4.43756e-11 2.59681e-10 ] [ 4.091370000000001e-10 1.38211e-10 4.21726e-10 ] [ 2.67291e-10 2.94824e-10 -1.6912e-11 ] [ 4.08439e-10 3.99712e-10 1.2513e-10 ] ] "source-value" [ [ 0.157946 -0.285755 0.37808 ] [ 1.35651 1.53389 1.4884 ] [ 0.00292057 2.68505 2.57873 ] [ 1.38402 4.09726 4.02157 ] [ 2.45639 0.443756 2.59681 ] [ 4.09137 1.38211 4.21726 ] [ 2.67291 2.94824 -0.16912 ] [ 4.08439 3.99712 1.2513 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.530132325612076e-18 "source-value" -15.791844 } }