{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.286465 0.75 ] [ 0 0.713535 0.25 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0 ] [ 0.5 0.786465 0.75 ] [ 0.5 0.213535 0.25 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.094012 0.414497 0.46639 ] [ 0.905988 0.414497 0.03361 ] [ 0.905988 0.585503 0.53361 ] [ 0.094012 0.585503 0.96639 ] [ 0.188501 0.960879 0.686226 ] [ 0.811499 0.960879 0.813774 ] [ 0.811499 0.039121 0.313774 ] [ 0.188501 0.039121 0.186226 ] [ 0.594012 0.914497 0.46639 ] [ 0.405988 0.914497 0.03361 ] [ 0.405988 0.085503 0.53361 ] [ 0.594012 0.085503 0.96639 ] [ 0.688501 0.460879 0.686226 ] [ 0.311499 0.460879 0.813774 ] [ 0.311499 0.539121 0.313774 ] [ 0.688501 0.539121 0.186226 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "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" 12.1990570128 "source-unit" "angstrom" } "b" { "source-value" 4.92481458591 "source-unit" "angstrom" } "c" { "source-value" 5.51001794431 "source-unit" "angstrom" } "beta" { "source-value" 103.58856518 "source-unit" "degree" } }