{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.909193 ] [ 0.666667 0.333333 0.409193 ] [ 0.666667 0.333333 0.090807 ] [ 0.333333 0.666667 0.590807 ] [ 0.166486 0.833514 0.25 ] [ 0.833514 0.667028 0.75 ] [ 0.833514 0.166486 0.75 ] [ 0.166486 0.332972 0.25 ] [ 0.332972 0.166486 0.75 ] [ 0.667028 0.833514 0.25 ] [ 0.333333 0.666667 0.343463 ] [ 0.666667 0.333333 0.843463 ] [ 0.666667 0.333333 0.656537 ] [ 0.333333 0.666667 0.156537 ] [ 0 0 0.657111 ] [ 0 0 0.157111 ] [ 0 0 0.842889 ] [ 0 0 0.342889 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.8916285302 "source-unit" "angstrom" } "c" { "source-value" 15.23618379 "source-unit" "angstrom" } }