{ "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 0.208929 0.75 ] [ 0 0.791071 0.25 ] [ 0.5 0.708929 0.75 ] [ 0.5 0.291071 0.25 ] [ 0.300918 0.131473 0.552565 ] [ 0.699082 0.131473 0.947435 ] [ 0.300918 0.868527 0.052565 ] [ 0.699082 0.868527 0.447435 ] [ 0.800918 0.631473 0.552565 ] [ 0.199082 0.631473 0.947435 ] [ 0.800918 0.368527 0.052565 ] [ 0.199082 0.368527 0.447435 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.72235607 "source-unit" "angstrom" } "b" { "source-value" 4.29087203 "source-unit" "angstrom" } "c" { "source-value" 6.71096036 "source-unit" "angstrom" } "beta" { "source-value" 104.02279856 "source-unit" "degree" } }