{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.320641 0 0.866549 ] [ 0.679359 0 0.133451 ] [ 0.820641 0.5 0.866549 ] [ 0.179359 0.5 0.133451 ] [ 0.894814 0.747264 0.777758 ] [ 0.105186 0.747264 0.222242 ] [ 0.105186 0.252736 0.222242 ] [ 0.852942 0 0.232637 ] [ 0.147058 0 0.767363 ] [ 0.348166 0 0.211967 ] [ 0.651834 0 0.788033 ] [ 0.894814 0.252736 0.777758 ] [ 0.394814 0.247264 0.777758 ] [ 0.605186 0.247264 0.222242 ] [ 0.605186 0.752736 0.222242 ] [ 0.352942 0.5 0.232637 ] [ 0.647058 0.5 0.767363 ] [ 0.848166 0.5 0.211967 ] [ 0.151834 0.5 0.788033 ] [ 0.394814 0.752736 0.777758 ] ] } "species" { "source-value" [ "Zr" "Zr" "Mo" "Mo" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.721385885 "source-unit" "angstrom" } "b" { "source-value" 6.26398205867 "source-unit" "angstrom" } "c" { "source-value" 5.06389880081 "source-unit" "angstrom" } "beta" { "source-value" 100.753599339 "source-unit" "degree" } }