{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2mm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.007479 0 ] [ 0.5 0.507479 0 ] [ 0 0.524514 0.5 ] [ 0.5 0.024514 0.5 ] [ 0.258701 0.231688 0.5 ] [ 0.741299 0.231688 0.5 ] [ 0 0.484532 0 ] [ 0.758701 0.731688 0.5 ] [ 0.241299 0.731688 0.5 ] [ 0.5 0.984532 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ti" "Ti" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.80560801378 "source-unit" "angstrom" } "b" { "source-value" 5.85529172708 "source-unit" "angstrom" } "c" { "source-value" 3.98753058 "source-unit" "angstrom" } }