{ "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" [ 5.39854 0 0 ] "si-unit" "m" "si-value" [ 5.39854e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0197648 5.43736 0 ] "si-unit" "m" "si-value" [ 1.97648e-12 5.43736e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0299081 -0.213673 5.1785 ] "si-unit" "m" "si-value" [ -2.99081e-12 -2.13673e-11 5.1785e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.461535 13.2616043 -2.0379174 ] [ -10.6741621 10.7051915 -23.8625918 ] [ -4.2773042 3.6559881 8.9869608 ] [ -3.3625418 2.5043284 -12.2802513 ] [ 18.7148068 -19.1149075 18.0770612 ] [ 5.2042734 -5.0336674 -7.4650241 ] [ -0.5198113 -3.6375055 12.1929431 ] [ -8.5467958 -2.3410317 6.3888196 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.545990494773189e-09 2.124743253881392e-08 -3.265103640302031e-09 ] [ -1.710189310414837e-08 1.715160768379541e-08 -3.823208700864e-08 ] [ -6.852996845750062e-09 5.857538708002056e-09 1.439869860443395e-08 ] [ -5.3873859028083e-09 4.012376446342605e-09 -1.967513169250812e-08 ] [ 2.998442616478431e-08 -3.062545815757135e-08 2.8962645066028e-08 ] [ 8.338165238427734e-09 -8.064824291607531e-09 -1.196028718526688e-08 ] [ -8.328295189491641e-10 -5.827926318146486e-09 1.953524853451152e-08 ] [ -1.369347652632934e-08 -3.750746289193297e-09 1.023601748196123e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -24.003766 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.845827301320364e-18 } }