{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.198087 0.053216 0.979827 ] [ 0.198087 0.946784 0.479827 ] [ 0 0.643385 0.75 ] [ 0 0.356615 0.25 ] [ 0.801913 0.053216 0.520173 ] [ 0.801913 0.946784 0.020173 ] [ 0.698087 0.553216 0.979827 ] [ 0.698087 0.446784 0.479827 ] [ 0.5 0.143385 0.75 ] [ 0.5 0.856615 0.25 ] [ 0.301913 0.553216 0.520173 ] [ 0.301913 0.446784 0.020173 ] [ 0 0.715896 0.25 ] [ 0 0.284104 0.75 ] [ 0.5 0.215896 0.25 ] [ 0.5 0.784104 0.75 ] [ 0.864194 0.721419 0.35349 ] [ 0.135806 0.721419 0.14651 ] [ 0.864194 0.278581 0.85349 ] [ 0.135806 0.278581 0.64651 ] [ 0.364194 0.221419 0.35349 ] [ 0.635806 0.221419 0.14651 ] [ 0.364194 0.778581 0.85349 ] [ 0.635806 0.778581 0.64651 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "B" "B" "B" "B" "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" 9.81673449 "source-unit" "angstrom" } "b" { "source-value" 9.17686648 "source-unit" "angstrom" } "c" { "source-value" 9.15415863 "source-unit" "angstrom" } "beta" { "source-value" 110.83622482 "source-unit" "degree" } }