{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.842161 0 ] [ 0.5 0.157839 0 ] [ 0 0.342161 0 ] [ 0 0.657839 0 ] [ 0 0.179346 0 ] [ 0.5 0 0 ] [ 0 0.820654 0 ] [ 0.5 0.679346 0 ] [ 0 0.5 0 ] [ 0.5 0.320654 0 ] ] } "species" { "source-value" [ "Na" "Na" "Cu" "Cu" "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" 3.75071527 "source-unit" "angstrom" } "b" { "source-value" 11.61434588 "source-unit" "angstrom" } "c" { "source-value" 3.44924476 "source-unit" "angstrom" } }