{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.315617 0.75 ] [ 0.5 0.684383 0.25 ] [ 0 0.831335 0.75 ] [ 0 0.168665 0.25 ] [ 0.244248 0.63548 0.883173 ] [ 0.755752 0.63548 0.616827 ] [ 0.755752 0.36452 0.116827 ] [ 0.244248 0.36452 0.383173 ] [ 0.200244 0.098029 0.944166 ] [ 0.799756 0.098029 0.555834 ] [ 0.799756 0.901971 0.055834 ] [ 0.200244 0.901971 0.444166 ] ] } "species" { "source-value" [ "Cd" "Cd" "W" "W" "O" "O" "O" "O" "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" 5.09267783837 "source-unit" "angstrom" } "b" { "source-value" 6.01034152 "source-unit" "angstrom" } "c" { "source-value" 5.20187138068 "source-unit" "angstrom" } "beta" { "source-value" 91.8159841401 "source-unit" "degree" } }