{ "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 0.976984 ] [ 0.666667 0.333333 0.178466 ] [ 0.333333 0.666667 0.678466 ] [ 0.333333 0.666667 0.821534 ] [ 0.666667 0.333333 0.023016 ] [ 0.666667 0.333333 0.321534 ] [ 0.333333 0.666667 0.523016 ] [ 0.666667 0.333333 0.476984 ] [ 0 0 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.167157 0.334315 0.385428 ] [ 0.167157 0.832843 0.385428 ] [ 0.665685 0.832843 0.114572 ] [ 0.167157 0.832843 0.114572 ] [ 0.665685 0.832843 0.385428 ] [ 0.832843 0.167157 0.614572 ] [ 0.334315 0.167157 0.885428 ] [ 0.334315 0.167157 0.614572 ] [ 0.167157 0.334315 0.114572 ] [ 0.832843 0.167157 0.885428 ] [ 0.832843 0.665685 0.614572 ] [ 0 0 0.5 ] [ 0.832843 0.665685 0.885428 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" ] } "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" 9.14989556958 "source-unit" "angstrom" } "c" { "source-value" 33.23812902 "source-unit" "angstrom" } }