{ "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 0.818185 ] [ 0.5 0.5 0.181815 ] [ 0.5 0.5 0.5 ] [ 0 0 0.644308 ] [ 0 0 0.355691 ] [ 0 0 0 ] [ 0 0.5 0.620073 ] [ 0 0.5 0.379927 ] [ 0 0 0.160268 ] [ 0.5 0 0.617926 ] [ 0 0.5 0 ] [ 0.5 0 0.382074 ] [ 0 0 0.839732 ] ] } "species" { "source-value" [ "Ba" "Ba" "Er" "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" 3.83476236009 "source-unit" "angstrom" } "b" { "source-value" 3.93312453001 "source-unit" "angstrom" } "c" { "source-value" 11.7887692903 "source-unit" "angstrom" } }