{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.149844 0.977715 0.75 ] [ 0.977715 0.827871 0.25 ] [ 0.172129 0.149844 0.25 ] [ 0.850156 0.022285 0.25 ] [ 0.022285 0.172129 0.75 ] [ 0.827871 0.850156 0.75 ] [ 0.32236 0.278793 0.75 ] [ 0.278793 0.956434 0.25 ] [ 0.043566 0.32236 0.25 ] [ 0.67764 0.721207 0.25 ] [ 0.956434 0.67764 0.75 ] [ 0.721207 0.043566 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "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" } "a" { "source-value" 9.52286228537 "source-unit" "angstrom" } "c" { "source-value" 4.46259628 "source-unit" "angstrom" } }