{ "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 0.5 0.303121 ] [ 0 0.5 0.696879 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.334177 ] [ 0.5 0 0.665823 ] [ 0 0.5 0 ] [ 0 0 0.307111 ] [ 0 0 0.692889 ] [ 0.5 0.749751 0.169339 ] [ 0.5 0.250249 0.169339 ] [ 0.5 0.751391 0.5 ] [ 0.5 0.248609 0.5 ] [ 0.5 0.749751 0.830661 ] [ 0.5 0.250249 0.830661 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Cu" "Cu" "Cu" "O" "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" 3.85589336131 "source-unit" "angstrom" } "b" { "source-value" 5.409559105 "source-unit" "angstrom" } "c" { "source-value" 8.55260598348 "source-unit" "angstrom" } }