{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4c2" } "basis-atom-coordinates" { "source-value" [ [ 0.168473 0.831527 0.75 ] [ 0.831527 0.831527 0.25 ] [ 0.168473 0.168473 0.25 ] [ 0.831527 0.168473 0.75 ] [ 0.355972 0.206046 0.590759 ] [ 0.644028 0.793954 0.590759 ] [ 0.206046 0.644028 0.409241 ] [ 0.793954 0.355972 0.409241 ] [ 0.644028 0.206046 0.090759 ] [ 0.206046 0.355972 0.909241 ] [ 0.793954 0.644028 0.909241 ] [ 0.355972 0.793954 0.090759 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0.5 0 0.871861 ] [ 0 0.5 0.128139 ] [ 0 0.5 0.628139 ] [ 0.5 0 0.371861 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.65095782 "source-unit" "angstrom" } "c" { "source-value" 8.94389489 "source-unit" "angstrom" } }