{ "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" [ [ 0.25 0.25 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0.5 ] [ 0.313508 0.071639 0.744791 ] [ 0.186492 0.571639 0.755209 ] [ 0.313508 0.928361 0.244791 ] [ 0.186492 0.428361 0.255209 ] [ 0.813508 0.571639 0.744791 ] [ 0.686492 0.071639 0.755209 ] [ 0.813508 0.428361 0.244791 ] [ 0.686492 0.928361 0.255209 ] [ 0 0.883788 0.25 ] [ 0 0.116212 0.75 ] [ 0.5 0.383788 0.25 ] [ 0.5 0.616212 0.75 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.28829406 "source-unit" "angstrom" } "b" { "source-value" 4.98893781 "source-unit" "angstrom" } "c" { "source-value" 5.31640186 "source-unit" "angstrom" } "beta" { "source-value" 121.01598728 "source-unit" "degree" } }