{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.347192 0.143286 0.5 ] [ 0 0.152808 0.643286 ] [ 0.856714 0.5 0.652808 ] [ 0.152808 0.643286 0 ] [ 0.5 0.652808 0.856714 ] [ 0.643286 0 0.152808 ] [ 0.652808 0.856714 0.5 ] [ 0.356714 0 0.847192 ] [ 0.847192 0.356714 0 ] [ 0 0.847192 0.356714 ] [ 0.5 0.347192 0.143286 ] [ 0.143286 0.5 0.347192 ] [ 0.847192 0.643286 0 ] [ 0.5 0.652808 0.143286 ] [ 0.356714 0 0.152808 ] [ 0.652808 0.143286 0.5 ] [ 0 0.152808 0.356714 ] [ 0.143286 0.5 0.652808 ] [ 0.152808 0.356714 0 ] [ 0.856714 0.5 0.347192 ] [ 0.347192 0.856714 0.5 ] [ 0.5 0.347192 0.856714 ] [ 0 0.847192 0.643286 ] [ 0.643286 0 0.847192 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.25 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "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" 8.82778283585 "source-unit" "angstrom" } }