{ "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" [ [ 0.666667 0.333333 0.681597 ] [ 0.333333 0.666667 0.318403 ] [ 0 0 0 ] [ 0.666667 0.333333 0.2228 ] [ 0.333333 0.666667 0.7772 ] [ 0.352306 0.041686 0.155085 ] [ 0.666667 0.333333 0.426113 ] [ 0.958314 0.31062 0.155085 ] [ 0.68938 0.647694 0.155085 ] [ 0.31062 0.352306 0.844915 ] [ 0.041686 0.68938 0.844915 ] [ 0.333333 0.666667 0.573887 ] [ 0.647694 0.958314 0.844915 ] ] } "species" { "source-value" [ "Li" "Li" "Cr" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.86682761 "source-unit" "angstrom" } "c" { "source-value" 7.41708396 "source-unit" "angstrom" } }