{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6m2" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.332493 ] [ 0.666667 0.333333 0.20554 ] [ 0.666667 0.333333 0.79446 ] [ 0 0 0.667507 ] [ 0.333333 0.666667 0 ] [ 0.333333 0.666667 0.673221 ] [ 0.516575 0.483425 0.5 ] [ 0.516575 0.033151 0.5 ] [ 0.333333 0.666667 0.326779 ] [ 0.966849 0.483425 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ga" "Ga" "Ga" "Ga" "Ga" "Pb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.1373511937 "source-unit" "angstrom" } "c" { "source-value" 10.8873440302 "source-unit" "angstrom" } }