{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.107912 0.25 ] [ 0.5 0.892088 0.75 ] [ 0 0.607912 0.25 ] [ 0 0.392088 0.75 ] [ 0 0.098488 0.75 ] [ 0 0.901512 0.25 ] [ 0.5 0.598488 0.75 ] [ 0.5 0.401512 0.25 ] [ 0.5 0.193492 0.75 ] [ 0.5 0.806508 0.25 ] [ 0 0.693492 0.75 ] [ 0 0.306508 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Zn" "Zn" "Zn" "Zn" "S" "S" "S" "S" "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" 3.99171286719 "source-unit" "angstrom" } "b" { "source-value" 13.0395862882 "source-unit" "angstrom" } "c" { "source-value" 6.19643549 "source-unit" "angstrom" } }