{ "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" [ [ 0.276006 0.5 0.439918 ] [ 0.723994 0.5 0.560082 ] [ 0.776006 0 0.439918 ] [ 0.223994 0 0.560082 ] [ 0.885863 0.5 0.090338 ] [ 0.114137 0.5 0.909662 ] [ 0.731099 0 0.780733 ] [ 0.268901 0 0.219267 ] [ 0.385863 0 0.090338 ] [ 0.614137 0 0.909662 ] [ 0.231099 0.5 0.780733 ] [ 0.768901 0.5 0.219267 ] [ 0.922597 0 0.02251 ] [ 0.68089 0.5 0.860986 ] [ 0.31911 0.5 0.139014 ] [ 0.818903 0.5 0.782259 ] [ 0.133949 0 0.345819 ] [ 0.181097 0.5 0.217741 ] [ 0.866051 0 0.654181 ] [ 0.077403 0 0.97749 ] [ 0.422597 0.5 0.02251 ] [ 0.18089 0 0.860986 ] [ 0.81911 0 0.139014 ] [ 0.318903 0 0.782259 ] [ 0.633949 0.5 0.345819 ] [ 0.681097 0 0.217741 ] [ 0.366051 0.5 0.654181 ] [ 0.577403 0.5 0.97749 ] [ 0.924328 0.5 0.528214 ] [ 0.075672 0.5 0.471786 ] [ 0.424328 0 0.528214 ] [ 0.575672 0 0.471786 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 21.3213471387 "source-unit" "angstrom" } "b" { "source-value" 4.05921614873 "source-unit" "angstrom" } "c" { "source-value" 18.7299932531 "source-unit" "angstrom" } "beta" { "source-value" 144.562846355 "source-unit" "degree" } }