{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.211666 0 0.5 ] [ 0 0.680181 0 ] [ 0.788334 0 0.5 ] [ 0 0.319819 0 ] [ 0.711666 0.5 0.5 ] [ 0.5 0.180181 0 ] [ 0.288334 0.5 0.5 ] [ 0.5 0.819819 0 ] ] } "species" { "source-value" [ "Al" "Al" "P" "P" "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" 5.82820659787 "source-unit" "angstrom" } "b" { "source-value" 6.2923695789 "source-unit" "angstrom" } "c" { "source-value" 2.71178293 "source-unit" "angstrom" } }