{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmm2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.997879 ] [ 0.5 0 0.06015 ] [ 0.5 0.269457 0.961586 ] [ 0 0 0.146873 ] [ 0 0.5 0.152676 ] [ 0.5 0.730543 0.961586 ] ] } "species" { "source-value" [ "Ti" "Ti" "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" 3.132701995 "source-unit" "angstrom" } "b" { "source-value" 5.744684665 "source-unit" "angstrom" } "c" { "source-value" 10.51716858 "source-unit" "angstrom" } }