{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "F2mm" } "basis-atom-coordinates" { "source-value" [ [ 0.751714 0.75 0.75 ] [ 0.751714 0.25 0.75 ] [ 0.001278 0.5 0 ] [ 0.251714 0.75 0.25 ] [ 0.251714 0.25 0.25 ] [ 0.501278 0.5 0.5 ] [ 0.251714 0.25 0.75 ] [ 0.251714 0.75 0.75 ] [ 0.501278 0 0 ] [ 0.751714 0.25 0.25 ] [ 0.751714 0.75 0.25 ] [ 0.001278 0 0.5 ] [ 0.999468 0 0 ] [ 0.499468 0 0.5 ] [ 0.499468 0.5 0 ] [ 0.999468 0.5 0.5 ] [ 0.758083 0.757575 0 ] [ 0.001863 0 0.202199 ] [ 0.758083 0.242425 0 ] [ 0.001863 0 0.797801 ] [ 0.258083 0.757575 0.5 ] [ 0.501863 0 0.702199 ] [ 0.258083 0.242425 0.5 ] [ 0.501863 0 0.297801 ] [ 0.258083 0.257575 0 ] [ 0.501863 0.5 0.202199 ] [ 0.258083 0.742425 0 ] [ 0.501863 0.5 0.797801 ] [ 0.758083 0.257575 0.5 ] [ 0.001863 0.5 0.702199 ] [ 0.758083 0.742425 0.5 ] [ 0.001863 0.5 0.297801 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "U" "U" "U" "U" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.921838 "source-unit" "angstrom" } "b" { "source-value" 6.92205903 "source-unit" "angstrom" } "c" { "source-value" 9.99523112 "source-unit" "angstrom" } }