{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/n" } "basis-atom-coordinates" { "source-value" [ [ 0.185137 0.884301 0.985523 ] [ 0.692707 0.886758 0.565552 ] [ 0.886758 0.307293 0.434448 ] [ 0.113242 0.692707 0.434448 ] [ 0.307293 0.113242 0.565552 ] [ 0 0 0.5 ] [ 0.115699 0.185137 0.014477 ] [ 0.814863 0.115699 0.985523 ] [ 0.807293 0.613242 0.434448 ] [ 0.314863 0.615699 0.014477 ] [ 0.685137 0.384301 0.014477 ] [ 0.615699 0.685137 0.985523 ] [ 0.386758 0.807293 0.565552 ] [ 0.884301 0.814863 0.014477 ] [ 0.192707 0.386758 0.434448 ] [ 0 0.5 0.944865 ] [ 0.384301 0.314863 0.985523 ] [ 0.5 0 0.055135 ] [ 0.613242 0.192707 0.565552 ] [ 0.5 0.5 0.5 ] [ 0.646842 0.018138 0.30712 ] [ 0.666384 0.207156 0.097141 ] [ 0.481862 0.146842 0.30712 ] [ 0.146842 0.518138 0.69288 ] [ 0.147193 0.534964 0.193126 ] [ 0.707156 0.833616 0.097141 ] [ 0.153365 0.213596 0.463059 ] [ 0.353158 0.981862 0.30712 ] [ 0.286404 0.653365 0.463059 ] [ 0.462736 0.65575 0.754688 ] [ 0.962736 0.15575 0.245312 ] [ 0.465036 0.147193 0.806874 ] [ 0.15575 0.037264 0.754688 ] [ 0.65575 0.537264 0.245312 ] [ 0.213596 0.846635 0.536941 ] [ 0.833616 0.292844 0.902859 ] [ 0.981862 0.646842 0.69288 ] [ 0.037264 0.84425 0.245312 ] [ 0.786404 0.153365 0.536941 ] [ 0.018138 0.353158 0.69288 ] [ 0.207156 0.333616 0.902859 ] [ 0.519711 0.353788 0.25408 ] [ 0.846635 0.786404 0.463059 ] [ 0.34425 0.462736 0.245312 ] [ 0.292844 0.166384 0.097141 ] [ 0.537264 0.34425 0.754688 ] [ 0.852807 0.465036 0.193126 ] [ 0.713596 0.346635 0.463059 ] [ 0.647193 0.034964 0.806874 ] [ 0.646212 0.519711 0.74592 ] [ 0.792844 0.666384 0.902859 ] [ 0.653365 0.713596 0.536941 ] [ 0.84425 0.962736 0.754688 ] [ 0.965036 0.647193 0.193126 ] [ 0.480289 0.646212 0.25408 ] [ 0.352807 0.965036 0.806874 ] [ 0.853788 0.980289 0.25408 ] [ 0.166384 0.707156 0.902859 ] [ 0.019711 0.853788 0.74592 ] [ 0.034964 0.352807 0.193126 ] [ 0.534964 0.852807 0.806874 ] [ 0.980289 0.146212 0.74592 ] [ 0.346635 0.286404 0.536941 ] [ 0.333616 0.792844 0.097141 ] [ 0.353788 0.480289 0.74592 ] [ 0.853158 0.481862 0.69288 ] [ 0.518138 0.853158 0.30712 ] [ 0.146212 0.019711 0.25408 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.56894435 "source-unit" "angstrom" } "c" { "source-value" 5.60811463 "source-unit" "angstrom" } }