{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.249681 0.071677 0.356911 ] [ 0.750319 0.571677 0.143089 ] [ 0.750319 0.928323 0.643089 ] [ 0.249681 0.428323 0.856911 ] [ 0.402109 0.930941 0.304079 ] [ 0.597891 0.430941 0.195921 ] [ 0.597891 0.069059 0.695921 ] [ 0.402109 0.569059 0.804079 ] [ 0.089858 0.069149 0.204327 ] [ 0.910142 0.569149 0.295673 ] [ 0.910142 0.930851 0.795673 ] [ 0.089858 0.430851 0.704327 ] [ 0.204227 0.933961 0.512957 ] [ 0.795773 0.433961 0.987043 ] [ 0.795773 0.066039 0.487043 ] [ 0.204227 0.566039 0.012957 ] [ 0.302865 0.352168 0.406026 ] [ 0.697135 0.852168 0.093974 ] [ 0.697135 0.647832 0.593974 ] [ 0.302865 0.147832 0.906026 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.3991186853 "source-unit" "angstrom" } "b" { "source-value" 6.8559501 "source-unit" "angstrom" } "c" { "source-value" 10.4866635477 "source-unit" "angstrom" } "beta" { "source-value" 102.889777779 "source-unit" "degree" } }