{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.33088e-10 0.0 0.0 ] "source-value" [ 5.33088 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.80326e-12 5.46857e-10 0.0 ] "source-value" [ 0.0480326 5.46857 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.09209e-11 1.82969e-11 5.33745e-10 ] "source-value" [ -0.109209 0.182969 5.33745 ] } "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" [ [ 3.376312935698519e-09 -2.03181181733919e-09 1.733224574668729e-09 ] [ -3.086391385716979e-10 -1.082098874451975e-09 2.44480136009424e-10 ] [ 1.625693689675427e-09 -4.790356209848348e-09 1.225335867616426e-09 ] [ 5.457466986428486e-10 2.445185882483232e-10 4.874657616669657e-10 ] [ 7.360535580967969e-10 1.255980219189481e-09 -1.052324184348689e-09 ] [ -1.727465230369939e-09 1.792019810339889e-09 -2.68482744509784e-09 ] [ -1.828853209981432e-09 1.571633526789379e-09 4.67264877961271e-10 ] [ -2.418849463408184e-09 3.040114917290103e-09 -4.206197486939481e-10 ] ] "source-value" [ [ 2.1073288 -1.2681572 1.0817937 ] [ -0.1926374 -0.675393 0.1525925 ] [ 1.0146782 -2.9899052 0.7647945 ] [ 0.3406283 0.1526165 0.3042522 ] [ 0.4594085 0.7839212 -0.6568091 ] [ -1.078199 1.1184908 -1.6757375 ] [ -1.1414804 0.9809365 0.2916438 ] [ -1.5097271 1.8974905 -0.2625302 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -9.70486e-12 -7.88825e-12 -1.0937e-11 ] [ 1.39157e-10 1.38931e-10 1.26283e-10 ] [ -4.44574e-12 2.82173e-10 2.6602e-10 ] [ 1.24826e-10 4.17435e-10 3.90061e-10 ] [ 2.67605e-10 6.825380000000001e-12 2.80056e-10 ] [ 3.9766e-10 1.50429e-10 4.31462e-10 ] [ 2.81042e-10 2.80539e-10 2.55717e-12 ] [ 4.1826e-10 4.03217e-10 1.44291e-10 ] ] "source-value" [ [ -0.0970486 -0.0788825 -0.10937 ] [ 1.39157 1.38931 1.26283 ] [ -0.0444574 2.82173 2.6602 ] [ 1.24826 4.17435 3.90061 ] [ 2.67605 0.0682538 2.80056 ] [ 3.9766 1.50429 4.31462 ] [ 2.81042 2.80539 0.0255717 ] [ 4.1826 4.03217 1.44291 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.082420399256237e-16 "source-value" 675.59368 } }