{ "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" [ [ 0.653156 0 0.833333 ] [ 0 0.653156 0.166667 ] [ 0.346844 0.346844 0.5 ] [ 0.5838 0 0.333333 ] [ 0 0.5838 0.666667 ] [ 0.4162 0.4162 0 ] [ 0.126106 0.424859 0.874289 ] [ 0.575141 0.701247 0.207622 ] [ 0.298753 0.873894 0.540956 ] [ 0.701247 0.575141 0.792378 ] [ 0.873894 0.298753 0.459044 ] [ 0.424859 0.126106 0.125711 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Co" "Co" "Co" "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" 5.96314708596 "source-unit" "angstrom" } "c" { "source-value" 6.80448496 "source-unit" "angstrom" } }