{ "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 0.948299 0.25 ] [ 0 0.051701 0.75 ] [ 0.5 0.448299 0.25 ] [ 0.5 0.551701 0.75 ] [ 0.5 0.833787 0.555673 ] [ 0.5 0.166213 0.444327 ] [ 0.5 0.833787 0.944327 ] [ 0.5 0.166213 0.055673 ] [ 0 0.333787 0.555673 ] [ 0 0.666213 0.444327 ] [ 0 0.333787 0.944327 ] [ 0 0.666213 0.055673 ] [ 0 0.781819 0.75 ] [ 0 0.218181 0.25 ] [ 0.5 0.281819 0.75 ] [ 0.5 0.718181 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "In" "In" "In" "In" "In" "In" "In" "In" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.50953685 "source-unit" "angstrom" } "b" { "source-value" 11.75369086 "source-unit" "angstrom" } "c" { "source-value" 8.17366275 "source-unit" "angstrom" } }