{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.182137 ] [ 0.5 0.5 0.817863 ] [ 0.5 0.5 0.5 ] [ 0 0 0.358195 ] [ 0 0 0.641805 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.383623 ] [ 0 0.5 0.616377 ] [ 0.5 0 0.384194 ] [ 0.5 0 0.615806 ] [ 0 0 0.15998 ] [ 0 0 0.84002 ] ] } "species" { "source-value" [ "Ba" "Ba" "Lu" "Cu" "Cu" "Cu" "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" 3.81890268 "source-unit" "angstrom" } "b" { "source-value" 3.89846904 "source-unit" "angstrom" } "c" { "source-value" 11.80187084 "source-unit" "angstrom" } }