{ "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 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.852995 0 0.93578 ] [ 0.058745 0.5 0.809648 ] [ 0.147005 0 0.06422 ] [ 0.249861 0.5 0.382679 ] [ 0.750139 0.5 0.617321 ] [ 0.941255 0.5 0.190352 ] [ 0.352995 0.5 0.93578 ] [ 0.558745 0 0.809648 ] [ 0.647005 0.5 0.06422 ] [ 0.749861 0 0.382679 ] [ 0.250139 0 0.617321 ] [ 0.441255 0 0.190352 ] [ 0.20868 0 0.885427 ] [ 0.114782 0.5 0.647317 ] [ 0.921475 0 0.773985 ] [ 0.885218 0.5 0.352683 ] [ 0.79132 0 0.114573 ] [ 0.856562 0 0.542273 ] [ 0.078525 0 0.226015 ] [ 0 0.5 0 ] [ 0.143438 0 0.457727 ] [ 0.70868 0.5 0.885427 ] [ 0.614782 0 0.647317 ] [ 0.421475 0.5 0.773985 ] [ 0.385218 0 0.352683 ] [ 0.29132 0.5 0.114573 ] [ 0.356562 0.5 0.542273 ] [ 0.578525 0.5 0.226015 ] [ 0.5 0 0 ] [ 0.643438 0.5 0.457727 ] ] } "species" { "source-value" [ "Ag" "Ag" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.776962045 "source-unit" "angstrom" } "b" { "source-value" 4.09303736 "source-unit" "angstrom" } "c" { "source-value" 15.0777701546 "source-unit" "angstrom" } "beta" { "source-value" 99.210834308 "source-unit" "degree" } }