{ "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 0.864299 0.25 ] [ 0 0.135701 0.75 ] [ 0.5 0.364299 0.25 ] [ 0.5 0.635701 0.75 ] [ 0.5 0.07296 0.25 ] [ 0.5 0.92704 0.75 ] [ 0 0.57296 0.25 ] [ 0 0.42704 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.37371867 "source-unit" "angstrom" } "b" { "source-value" 12.77586816 "source-unit" "angstrom" } "c" { "source-value" 4.72492605 "source-unit" "angstrom" } }