{ "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" [ [ 0.185047 0.488466 0.840271 ] [ 0.185047 0.511534 0.340271 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.814953 0.511534 0.159729 ] [ 0.814953 0.488466 0.659729 ] [ 0.685047 0.988466 0.840271 ] [ 0.685047 0.011534 0.340271 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.314953 0.011534 0.159729 ] [ 0.314953 0.988466 0.659729 ] [ 0.160756 0.751697 0.116446 ] [ 0.155876 0.761301 0.54821 ] [ 0.155876 0.238699 0.04821 ] [ 0.160756 0.248303 0.616446 ] [ 0.844124 0.761301 0.95179 ] [ 0 0.89762 0.75 ] [ 0.839244 0.751697 0.383554 ] [ 0 0.10238 0.25 ] [ 0.844124 0.238699 0.45179 ] [ 0.839244 0.248303 0.883554 ] [ 0.660756 0.251697 0.116446 ] [ 0.655876 0.261301 0.54821 ] [ 0.655876 0.738699 0.04821 ] [ 0.660756 0.748303 0.616446 ] [ 0.344124 0.261301 0.95179 ] [ 0.5 0.39762 0.75 ] [ 0.339244 0.251697 0.383554 ] [ 0.5 0.60238 0.25 ] [ 0.344124 0.738699 0.45179 ] [ 0.339244 0.748303 0.883554 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "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" 12.20602833 "source-unit" "angstrom" } "b" { "source-value" 5.74032362 "source-unit" "angstrom" } "c" { "source-value" 8.31916634 "source-unit" "angstrom" } "beta" { "source-value" 110.97137854 "source-unit" "degree" } }