{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.249731 0 0.161409 ] [ 0.750269 0 0.838591 ] [ 0.725769 0 0.349143 ] [ 0.274231 0 0.650857 ] [ 0.749731 0.5 0.161409 ] [ 0.250269 0.5 0.838591 ] [ 0.225769 0.5 0.349143 ] [ 0.774231 0.5 0.650857 ] ] } "species" { "source-value" [ "Ca" "Ca" "U" "U" "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" 11.1295953769 "source-unit" "angstrom" } "b" { "source-value" 4.2520695166 "source-unit" "angstrom" } "c" { "source-value" 6.20295143707 "source-unit" "angstrom" } "beta" { "source-value" 150.496855258 "source-unit" "degree" } }