{ "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" [ [ 0.642667 0 0.350792 ] [ 0 0.788735 0.5 ] [ 0 0.211265 0.5 ] [ 0 0.737921 0 ] [ 0 0.262079 0 ] [ 0.357333 0 0.649208 ] [ 0.142667 0.5 0.350792 ] [ 0.5 0.288735 0.5 ] [ 0.5 0.711265 0.5 ] [ 0.5 0.237921 0 ] [ 0.5 0.762079 0 ] [ 0.857333 0.5 0.649208 ] [ 0.825957 0 0.84989 ] [ 0.174043 0 0.15011 ] [ 0.325957 0.5 0.84989 ] [ 0.674043 0.5 0.15011 ] [ 0.89897 0 0.143009 ] [ 0.6972 0.134735 0.735689 ] [ 0.6972 0.865265 0.735689 ] [ 0.3028 0.134735 0.264311 ] [ 0.3028 0.865265 0.264311 ] [ 0.10103 0 0.856991 ] [ 0.39897 0.5 0.143009 ] [ 0.1972 0.634735 0.735689 ] [ 0.1972 0.365265 0.735689 ] [ 0.8028 0.634735 0.264311 ] [ 0.8028 0.365265 0.264311 ] [ 0.60103 0.5 0.856991 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Y" "Y" "Y" "Y" "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" 8.0296298 "source-unit" "angstrom" } "b" { "source-value" 12.98485734 "source-unit" "angstrom" } "c" { "source-value" 7.68571432 "source-unit" "angstrom" } "beta" { "source-value" 101.00040024 "source-unit" "degree" } }