{ "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 0.5 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0 ] [ 0 0.5 0 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0 ] [ 0.5 0 0 ] [ 0.75 0.75 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.767945 0.5 0.784567 ] [ 0.761956 0 0.777372 ] [ 0.006878 0.746474 0.78653 ] [ 0.993122 0.746474 0.21347 ] [ 0.006878 0.253526 0.78653 ] [ 0.993122 0.253526 0.21347 ] [ 0.238044 0 0.222628 ] [ 0.232055 0.5 0.215433 ] [ 0.267945 0 0.784567 ] [ 0.261956 0.5 0.777372 ] [ 0.506878 0.246474 0.78653 ] [ 0.493122 0.246474 0.21347 ] [ 0.506878 0.753526 0.78653 ] [ 0.493122 0.753526 0.21347 ] [ 0.738044 0.5 0.222628 ] [ 0.732055 0 0.215433 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.11956938 "source-unit" "angstrom" } "b" { "source-value" 5.82576948 "source-unit" "angstrom" } "c" { "source-value" 5.93686104 "source-unit" "angstrom" } "beta" { "source-value" 125.13107993 "source-unit" "degree" } }