{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.947261 0.25 ] [ 0 0.052739 0.75 ] [ 0.5 0.447261 0.25 ] [ 0.5 0.552739 0.75 ] [ 0.5 0.836894 0.556381 ] [ 0.5 0.163106 0.443619 ] [ 0.5 0.836894 0.943619 ] [ 0.5 0.163106 0.056381 ] [ 0 0.336894 0.556381 ] [ 0 0.663106 0.443619 ] [ 0 0.336894 0.943619 ] [ 0 0.663106 0.056381 ] [ 0 0.775861 0.75 ] [ 0 0.224139 0.25 ] [ 0.5 0.275861 0.75 ] [ 0.5 0.724139 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "In" "In" "In" "In" "In" "In" "In" "In" "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" 4.58656411 "source-unit" "angstrom" } "b" { "source-value" 11.8203786 "source-unit" "angstrom" } "c" { "source-value" 8.15167668 "source-unit" "angstrom" } }