{ "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" [ [ 0.5 0.165083 0.25 ] [ 0.5 0.834917 0.75 ] [ 0 0.665083 0.25 ] [ 0 0.334917 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.832663 0.25 ] [ 0.5 0.167337 0.75 ] [ 0 0.332663 0.25 ] [ 0 0.667337 0.75 ] [ 0.724259 0.089658 0.703956 ] [ 0 0.176379 0.25 ] [ 0.275741 0.089658 0.796044 ] [ 0.724259 0.910342 0.203956 ] [ 0 0.823621 0.75 ] [ 0.275741 0.910342 0.296044 ] [ 0.224259 0.589658 0.703956 ] [ 0.5 0.676379 0.25 ] [ 0.775741 0.589658 0.796044 ] [ 0.224259 0.410342 0.203956 ] [ 0.5 0.323621 0.75 ] [ 0.775741 0.410342 0.296044 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mg" "Mg" "Mg" "Mg" "B" "B" "B" "B" "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" 5.06506680761 "source-unit" "angstrom" } "b" { "source-value" 8.88024958 "source-unit" "angstrom" } "c" { "source-value" 5.59162483208 "source-unit" "angstrom" } "beta" { "source-value" 99.3131559291 "source-unit" "degree" } }