{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.165686 0.142109 ] [ 0.5 0.834314 0.857891 ] [ 0 0.165686 0.857891 ] [ 0 0.834314 0.142109 ] [ 0 0.665686 0.642109 ] [ 0 0.334314 0.357891 ] [ 0.5 0.665686 0.357891 ] [ 0.5 0.334314 0.642109 ] [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] [ 0 0.67069 0.896158 ] [ 0 0.32931 0.103842 ] [ 0.5 0.67069 0.103842 ] [ 0.5 0.32931 0.896158 ] [ 0.5 0.17069 0.396158 ] [ 0.5 0.82931 0.603842 ] [ 0 0.17069 0.603842 ] [ 0 0.82931 0.396158 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Ge" "Ge" "Ge" "Ge" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.67209689 "source-unit" "angstrom" } "b" { "source-value" 7.09788233 "source-unit" "angstrom" } "c" { "source-value" 13.52981191 "source-unit" "angstrom" } }