{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.617573 0 ] [ 0.75 0.605233 0.5 ] [ 0.25 0.871218 0.5 ] [ 0.75 0.128782 0.5 ] [ 0.75 0.382427 0 ] [ 0.25 0.394767 0.5 ] [ 0.25 0.135932 0 ] [ 0.75 0.864068 0 ] [ 0.032313 0.345674 0.763125 ] [ 0.467687 0.345674 0.236875 ] [ 0.967687 0.654326 0.236875 ] [ 0.532313 0.654326 0.763125 ] [ 0.499859 0.101407 0.791333 ] [ 0.000141 0.101407 0.208667 ] [ 0.999859 0.898593 0.791333 ] [ 0.500141 0.898593 0.208667 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Bi" "Bi" "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" 5.75844444525 "source-unit" "angstrom" } "b" { "source-value" 6.80317701 "source-unit" "angstrom" } "c" { "source-value" 5.95982920993 "source-unit" "angstrom" } "beta" { "source-value" 109.989855782 "source-unit" "degree" } }