{ "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" [ [ 0.5 0 0 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0.231229 0.5 ] [ 0.5 0.268771 0.5 ] [ 0.232819 0 0.989109 ] [ 0.767181 0 0.010891 ] [ 0 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0.731229 0.5 ] [ 0 0.768771 0.5 ] [ 0.732819 0.5 0.989109 ] [ 0.267181 0.5 0.010891 ] [ 0.049001 0 0.335994 ] [ 0.950999 0 0.664006 ] [ 0.036069 0.5 0.332011 ] [ 0.963931 0.5 0.667989 ] [ 0.78535 0.743846 0.831275 ] [ 0.21465 0.743846 0.168725 ] [ 0.78535 0.256154 0.831275 ] [ 0.21465 0.256154 0.168725 ] [ 0.549001 0.5 0.335994 ] [ 0.450999 0.5 0.664006 ] [ 0.536069 0 0.332011 ] [ 0.463931 0 0.667989 ] [ 0.28535 0.243846 0.831275 ] [ 0.71465 0.243846 0.168725 ] [ 0.28535 0.756154 0.831275 ] [ 0.71465 0.756154 0.168725 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Se" "Se" "Se" "Se" "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" 12.09344103 "source-unit" "angstrom" } "b" { "source-value" 7.52109182 "source-unit" "angstrom" } "c" { "source-value" 8.79686375 "source-unit" "angstrom" } "beta" { "source-value" 132.57676476 "source-unit" "degree" } }