{ "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 0.681313 0 ] [ 0 0.318687 0 ] [ 0 0 0 ] [ 0.5 0.181313 0 ] [ 0.5 0.818687 0 ] [ 0.5 0.5 0 ] [ 0.184801 0.147131 0 ] [ 0.815199 0.852869 0 ] [ 0.184801 0.852869 0 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0 0.315727 0.5 ] [ 0 0.684273 0.5 ] [ 0.815199 0.147131 0 ] [ 0.684801 0.647131 0 ] [ 0.315199 0.352869 0 ] [ 0.684801 0.352869 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.815727 0.5 ] [ 0.5 0.184273 0.5 ] [ 0.315199 0.647131 0 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "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" 7.01477328 "source-unit" "angstrom" } "b" { "source-value" 11.60543763 "source-unit" "angstrom" } "c" { "source-value" 4.16025141 "source-unit" "angstrom" } }