{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.145238 ] [ 0.5 0 0.854762 ] [ 0 0.5 0.645238 ] [ 0 0.5 0.354762 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0.852672 ] [ 0 0.5 0.147328 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.352672 ] [ 0.5 0 0.647328 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Cu" "Cu" "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" 3.85418244 "source-unit" "angstrom" } "b" { "source-value" 4.1736069 "source-unit" "angstrom" } "c" { "source-value" 13.18146677 "source-unit" "angstrom" } }