{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.181521 0 0.113133 ] [ 0.318479 0 0.613133 ] [ 0.681521 0 0.386867 ] [ 0.818479 0 0.886867 ] [ 0.681521 0.5 0.113133 ] [ 0.818479 0.5 0.613133 ] [ 0.181521 0.5 0.386867 ] [ 0.318479 0.5 0.886867 ] ] } "species" { "source-value" [ "C" "C" "C" "C" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.98862819133 "source-unit" "angstrom" } "b" { "source-value" 7.29157518032 "source-unit" "angstrom" } "c" { "source-value" 9.85125685 "source-unit" "angstrom" } }