{ "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" [ [ 0.966442 0.5 0.629932 ] [ 0.033558 0.5 0.370068 ] [ 0.466442 0 0.629932 ] [ 0.533558 0 0.370068 ] [ 0.786122 0.5 0.945007 ] [ 0.213878 0.5 0.054993 ] [ 0.286122 0 0.945007 ] [ 0.713878 0 0.054993 ] [ 0.861653 0 0.817541 ] [ 0.138347 0 0.182459 ] [ 0.361653 0.5 0.817541 ] [ 0.638347 0.5 0.182459 ] [ 0.268077 0.5 0.306645 ] [ 0.731923 0.5 0.693355 ] [ 0.900137 0 0.062149 ] [ 0.099863 0 0.937851 ] [ 0.768077 0 0.306645 ] [ 0.231923 0 0.693355 ] [ 0.400137 0.5 0.062149 ] [ 0.599863 0.5 0.937851 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Li" "Li" "Li" "Li" "Zn" "Zn" "Zn" "Zn" "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" 10.9647649428 "source-unit" "angstrom" } "b" { "source-value" 3.38706702576 "source-unit" "angstrom" } "c" { "source-value" 9.90498828284 "source-unit" "angstrom" } "beta" { "source-value" 133.26197488 "source-unit" "degree" } }