{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.248069 0.181991 ] [ 0.25 0.748069 0.318009 ] [ 0.75 0.251931 0.681991 ] [ 0.25 0.751931 0.818009 ] [ 0.25 0.506278 0.060188 ] [ 0.75 0.006278 0.439812 ] [ 0.25 0.993722 0.560188 ] [ 0.75 0.493722 0.939812 ] [ 0.25 0.268282 0.086829 ] [ 0.25 0.250354 0.287243 ] [ 0.75 0.750354 0.212757 ] [ 0.75 0.768282 0.413171 ] [ 0.25 0.231718 0.586829 ] [ 0.25 0.249646 0.787243 ] [ 0.75 0.749646 0.712757 ] [ 0.75 0.731718 0.913171 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "H" "H" "H" "H" "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" 3.05493987 "source-unit" "angstrom" } "b" { "source-value" 3.82170539 "source-unit" "angstrom" } "c" { "source-value" 13.57149774 "source-unit" "angstrom" } }