{ "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" [ 5.43593 0 0 ] "si-unit" "m" "si-value" [ 5.43593e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00214695 5.43123 0 ] "si-unit" "m" "si-value" [ 2.14695e-13 5.43123e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0452237 0.0446124 5.47348 ] "si-unit" "m" "si-value" [ -4.52237e-12 4.461240000000001e-12 5.473480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0488145 -0.0723712 0.108622 ] [ 1.36095 1.35641 1.2952 ] [ -0.00863748 2.68477 2.74572 ] [ 1.30162 4.04466 3.93872 ] [ 2.7765 -0.0432881 2.8136 ] [ 4.0674 1.36091 4.19847 ] [ 2.70508 2.80909 0.166723 ] [ 4.1715 4.08924 1.48814 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.88145e-12 -7.23712e-12 1.08622e-11 ] [ 1.36095e-10 1.35641e-10 1.2952e-10 ] [ -8.63748e-13 2.68477e-10 2.74572e-10 ] [ 1.30162e-10 4.044660000000001e-10 3.93872e-10 ] [ 2.7765e-10 -4.328810000000001e-12 2.8136e-10 ] [ 4.0674e-10 1.36091e-10 4.19847e-10 ] [ 2.70508e-10 2.80909e-10 1.66723e-11 ] [ 4.1715e-10 4.089240000000001e-10 1.48814e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2828599 0.1934725 -1.6421732 ] [ 0.090338 -0.5404978 1.7040747 ] [ 0.0587418 -0.9952492 -0.2786271 ] [ 0.2867223 0.5706686 2.6348555 ] [ -0.4491288 0.9724903 -0.9134227 ] [ -0.5401602 0.5472225 0.3506297 ] [ 0.4400124 -0.4034993 -1.8835894 ] [ -1.1693854 -0.3446075 0.0282524 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.055368139541826e-09 3.09977116267728e-10 -2.631051508344323e-09 ] [ 1.447374315698304e-10 -8.659729387538343e-10 2.730228644436774e-09 ] [ 9.411473862370944e-11 -1.594565000109903e-09 -4.464098255413037e-10 ] [ 4.593797657220038e-10 9.143118891446669e-10 4.221503881286295e-09 ] [ -7.195836630879591e-10 1.558101222614778e-09 -1.463464494848012e-09 ] [ -8.654320439266522e-10 8.767470958757279e-10 5.617707078981177e-10 ] [ 7.04977580142098e-10 -6.464771449691655e-10 -3.0178428998667e-09 ] [ -1.873561948584856e-09 -5.521220798523361e-10 4.526533476148992e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -21.962732 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.518817573929603e-18 } }