{ "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 0.834922 0 ] [ 0.5 0.165078 0 ] [ 0 0.334922 0 ] [ 0 0.665078 0 ] [ 0 0.829768 0 ] [ 0 0.170232 0 ] [ 0.5 0 0 ] [ 0.5 0.329768 0 ] [ 0.5 0.670232 0 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "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" 3.97495981332 "source-unit" "angstrom" } "b" { "source-value" 11.5820191967 "source-unit" "angstrom" } "c" { "source-value" 3.55978595 "source-unit" "angstrom" } }