{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.579808 0.35795 ] [ 0.75 0.420192 0.64205 ] [ 0.25 0.079808 0.14205 ] [ 0.75 0.920192 0.85795 ] [ 0.75 0.578998 0.101204 ] [ 0.75 0.078998 0.398796 ] [ 0.25 0.421002 0.898796 ] [ 0.25 0.921002 0.601204 ] [ 0.25 0.250633 0.493032 ] [ 0.75 0.749367 0.506968 ] [ 0.25 0.750633 0.006968 ] [ 0.75 0.249367 0.993032 ] [ 0.25 0.66183 0.744142 ] [ 0.75 0.83817 0.244142 ] [ 0.25 0.16183 0.755858 ] [ 0.75 0.33817 0.255858 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Mo" "Mo" "Mo" "Mo" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.22289862 "source-unit" "angstrom" } "b" { "source-value" 5.63487515 "source-unit" "angstrom" } "c" { "source-value" 11.08585087 "source-unit" "angstrom" } }