{ "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 ] [ 0.717083 0 0 ] [ 0 0.824116 0.5 ] [ 0.282917 0 0 ] [ 0 0.175884 0.5 ] [ 0.217083 0.5 0 ] [ 0.5 0.324116 0.5 ] [ 0.782917 0.5 0 ] [ 0.5 0.675884 0.5 ] ] } "species" { "source-value" [ "U" "U" "Cd" "Cd" "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" 6.97816349286 "source-unit" "angstrom" } "b" { "source-value" 7.22975449137 "source-unit" "angstrom" } "c" { "source-value" 3.52678413 "source-unit" "angstrom" } }