{ "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 0.833383 0 ] [ 0 0.166617 0 ] [ 0.5 0.333383 0 ] [ 0.5 0.666617 0 ] [ 0.204527 0 0.211267 ] [ 0.795473 0 0.788733 ] [ 0.250088 0.818408 0.789632 ] [ 0.749912 0.818408 0.210368 ] [ 0.749912 0.181592 0.210368 ] [ 0.250088 0.181592 0.789632 ] [ 0.704527 0.5 0.211267 ] [ 0.295473 0.5 0.788733 ] [ 0.750088 0.318408 0.789632 ] [ 0.249912 0.318408 0.210368 ] [ 0.249912 0.681592 0.210368 ] [ 0.750088 0.681592 0.789632 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.02687997377 "source-unit" "angstrom" } "b" { "source-value" 10.4326039007 "source-unit" "angstrom" } "c" { "source-value" 6.65323631962 "source-unit" "angstrom" } "beta" { "source-value" 107.114271029 "source-unit" "degree" } }