{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.904529 0.896238 0.24708 ] [ 0.095471 0.396238 0.25292 ] [ 0.904529 0.603762 0.74708 ] [ 0.095471 0.103762 0.75292 ] [ 0.297199 0.698481 0.144271 ] [ 0.702801 0.198481 0.355729 ] [ 0.297199 0.801519 0.644271 ] [ 0.702801 0.301519 0.855729 ] [ 0.829047 0.390411 0.04913 ] [ 0.084104 0.858203 0.129052 ] [ 0.731081 0.069325 0.214097 ] [ 0.658119 0.753961 0.213132 ] [ 0.341881 0.253961 0.286868 ] [ 0.268919 0.569325 0.285903 ] [ 0.915896 0.358203 0.370948 ] [ 0.829047 0.109589 0.54913 ] [ 0.170953 0.890411 0.45087 ] [ 0.084104 0.641797 0.629052 ] [ 0.731081 0.430675 0.714097 ] [ 0.658119 0.746039 0.713132 ] [ 0.341881 0.246039 0.786868 ] [ 0.268919 0.930675 0.785903 ] [ 0.915896 0.141797 0.870948 ] [ 0.170953 0.609589 0.95087 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "Cr" "Cr" "Cr" "Cr" "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" 4.91102945 "source-unit" "angstrom" } "b" { "source-value" 8.32874761 "source-unit" "angstrom" } "c" { "source-value" 8.5682882 "source-unit" "angstrom" } "beta" { "source-value" 116.66289932 "source-unit" "degree" } }