{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0.105449 0.5 ] [ 0 0.394551 0.5 ] [ 0.5 0.605449 0 ] [ 0 0.894551 0 ] [ 0 0.605449 0.5 ] [ 0.5 0.894551 0.5 ] [ 0 0.105449 0 ] [ 0.5 0.394551 0 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "O" "O" "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" 2.74775144151 "source-unit" "angstrom" } "b" { "source-value" 11.2371287059 "source-unit" "angstrom" } "c" { "source-value" 11.3749296 "source-unit" "angstrom" } }