{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.443723 ] [ 0.333333 0.666667 0.556277 ] [ 0.24212 0.161985 0.80914 ] [ 0.838015 0.080135 0.80914 ] [ 0.919865 0.75788 0.80914 ] [ 0.080135 0.24212 0.19086 ] [ 0.75788 0.838015 0.19086 ] [ 0.161985 0.919865 0.19086 ] [ 0.730081 0.127315 0.695437 ] [ 0.397234 0.269919 0.695437 ] [ 0.872685 0.602766 0.695437 ] [ 0.269919 0.872685 0.304563 ] [ 0.127315 0.397234 0.304563 ] [ 0.602766 0.730081 0.304563 ] ] } "species" { "source-value" [ "Fe" "Sn" "Sn" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.2440695297 "source-unit" "angstrom" } "c" { "source-value" 5.56480728 "source-unit" "angstrom" } }