{ "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 0 0.5 ] [ 0 0.742361 0 ] [ 0 0.257639 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.242361 0 ] [ 0.5 0.757639 0 ] [ 0.780451 0.5 0.341679 ] [ 0.219549 0.5 0.658321 ] [ 0.280451 0 0.341679 ] [ 0.719549 0 0.658321 ] [ 0.104063 0.5 0.953006 ] [ 0.895937 0.5 0.046994 ] [ 0.096909 0 0.901498 ] [ 0.903091 0 0.098502 ] [ 0.896384 0.22156 0.611581 ] [ 0.896384 0.77844 0.611581 ] [ 0.103616 0.22156 0.388419 ] [ 0.103616 0.77844 0.388419 ] [ 0.604063 0 0.953006 ] [ 0.395937 0 0.046994 ] [ 0.596909 0.5 0.901498 ] [ 0.403091 0.5 0.098502 ] [ 0.396384 0.72156 0.611581 ] [ 0.396384 0.27844 0.611581 ] [ 0.603616 0.72156 0.388419 ] [ 0.603616 0.27844 0.388419 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Cd" "Cd" "Cd" "Cd" "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" 10.916379029 "source-unit" "angstrom" } "b" { "source-value" 5.94350014553 "source-unit" "angstrom" } "c" { "source-value" 5.04582376594 "source-unit" "angstrom" } "beta" { "source-value" 109.01281934 "source-unit" "degree" } }