{ "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" [ [ 0.05972 0.869338 0.884341 ] [ 0.44028 0.369338 0.615659 ] [ 0.94028 0.130662 0.115659 ] [ 0.55972 0.630662 0.384341 ] [ 0.503212 0.986004 0.778743 ] [ 0.996788 0.486004 0.721257 ] [ 0.496788 0.013996 0.221257 ] [ 0.003212 0.513996 0.278743 ] [ 0.609051 0.753751 0.985707 ] [ 0.890949 0.253751 0.514293 ] [ 0.390949 0.246249 0.014293 ] [ 0.109051 0.746249 0.485707 ] [ 0.75138 0.033055 0.76267 ] [ 0.74862 0.533055 0.73733 ] [ 0.24862 0.966945 0.23733 ] [ 0.25138 0.466945 0.26267 ] [ 0.362999 0.707285 0.005936 ] [ 0.137001 0.207285 0.494064 ] [ 0.637001 0.292715 0.994064 ] [ 0.862999 0.792715 0.505936 ] [ 0.322689 0.952526 0.785729 ] [ 0.177311 0.452526 0.714271 ] [ 0.677311 0.047474 0.214271 ] [ 0.822689 0.547474 0.285729 ] [ 0.785205 0.786562 0.969539 ] [ 0.714795 0.286562 0.530461 ] [ 0.214795 0.213438 0.030461 ] [ 0.285205 0.713438 0.469539 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "C" "C" "C" "C" "C" "C" "C" "C" "S" "S" "S" "S" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.90518450812 "source-unit" "angstrom" } "b" { "source-value" 13.53274677 "source-unit" "angstrom" } "c" { "source-value" 7.65527324536 "source-unit" "angstrom" } "beta" { "source-value" 111.102151283 "source-unit" "degree" } }