{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.993925 0.23299 0.492175 ] [ 0.513869 0 0.043977 ] [ 0.993925 0.76701 0.492175 ] [ 0.493925 0.73299 0.492175 ] [ 0.013869 0.5 0.043977 ] [ 0.493925 0.26701 0.492175 ] [ 0.04733 0 0.028253 ] [ 0.54733 0.5 0.028253 ] [ 0.847293 0 0.147674 ] [ 0.125546 0.226589 0.232859 ] [ 0.849755 0.17503 0.753432 ] [ 0.125546 0.773411 0.232859 ] [ 0.374456 0 0.286013 ] [ 0.849755 0.82497 0.753432 ] [ 0.153601 0 0.787149 ] [ 0.347293 0.5 0.147674 ] [ 0.625546 0.726589 0.232859 ] [ 0.349755 0.67503 0.753432 ] [ 0.625546 0.273411 0.232859 ] [ 0.874456 0.5 0.286013 ] [ 0.349755 0.32497 0.753432 ] [ 0.653601 0.5 0.787149 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Hf" "Hf" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 7.70267071915 "source-unit" "angstrom" } "b" { "source-value" 7.81876863169 "source-unit" "angstrom" } "c" { "source-value" 6.26960447603 "source-unit" "angstrom" } "beta" { "source-value" 124.229717065 "source-unit" "degree" } }