{ "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 ] [ 0 0.5 0.5 ] [ 0 0.5 0.81135 ] [ 0 0.5 0.18865 ] [ 0.5 0 0.31135 ] [ 0.5 0 0.68865 ] [ 0 0.5 0 ] [ 0 0 0.794304 ] [ 0 0 0.205696 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.294304 ] [ 0.5 0.5 0.705696 ] ] } "species" { "source-value" [ "Ba" "Ba" "Mn" "Mn" "Mn" "Mn" "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" 3.66809224767 "source-unit" "angstrom" } "b" { "source-value" 4.38687136955 "source-unit" "angstrom" } "c" { "source-value" 11.1722139393 "source-unit" "angstrom" } }