{ "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" [ [ 0.239303 0.104912 0.632958 ] [ 0.239303 0.895088 0.132958 ] [ 0.760697 0.895088 0.367042 ] [ 0.760697 0.104912 0.867042 ] [ 0.739303 0.604912 0.632958 ] [ 0.739303 0.395088 0.132958 ] [ 0.260697 0.395088 0.367042 ] [ 0.260697 0.604912 0.867042 ] [ 0.934871 0.288492 0.54143 ] [ 0.934871 0.711508 0.04143 ] [ 0.065129 0.711508 0.45857 ] [ 0.065129 0.288492 0.95857 ] [ 0.434871 0.788492 0.54143 ] [ 0.434871 0.211508 0.04143 ] [ 0.565129 0.211508 0.45857 ] [ 0.565129 0.788492 0.95857 ] [ 0.891999 0.841204 0.824107 ] [ 0 0.582785 0.25 ] [ 0 0.417215 0.75 ] [ 0.891999 0.158796 0.324107 ] [ 0.108001 0.841204 0.675893 ] [ 0.108001 0.158796 0.175893 ] [ 0.391999 0.341204 0.824107 ] [ 0.5 0.082785 0.25 ] [ 0.5 0.917215 0.75 ] [ 0.391999 0.658796 0.324107 ] [ 0.608001 0.341204 0.675893 ] [ 0.608001 0.658796 0.175893 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.0082289013 "source-unit" "angstrom" } "b" { "source-value" 13.6475199881 "source-unit" "angstrom" } "c" { "source-value" 7.61736006657 "source-unit" "angstrom" } "beta" { "source-value" 91.7610456322 "source-unit" "degree" } }