{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0 0.462848 0.666667 ] [ 0.462848 0 0.333333 ] [ 0.537152 0.537152 0 ] [ 0.538689 0.538689 0.5 ] [ 0 0.461311 0.166667 ] [ 0.461311 0 0.833333 ] [ 0.574956 0.898882 0.928551 ] [ 0.101118 0.676074 0.261884 ] [ 0.323926 0.425044 0.595217 ] [ 0.676074 0.101118 0.738116 ] [ 0.425044 0.323926 0.404783 ] [ 0.898882 0.574956 0.071449 ] [ 0.246446 0.420477 0.127102 ] [ 0.579523 0.825969 0.460435 ] [ 0.174031 0.753554 0.793768 ] [ 0.825969 0.579523 0.539565 ] [ 0.753554 0.174031 0.206232 ] [ 0.420477 0.246446 0.872898 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "B" "B" "B" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.99485618927 "source-unit" "angstrom" } "c" { "source-value" 11.2334255 "source-unit" "angstrom" } }