{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.43352 ] [ 0.666667 0.333333 0.56648 ] [ 0.666667 0.333333 0.93352 ] [ 0.333333 0.666667 0.06648 ] [ 0.172614 0.345228 0.75 ] [ 0.172614 0.827386 0.75 ] [ 0.345228 0.172614 0.25 ] [ 0.827386 0.654772 0.25 ] [ 0.654772 0.827386 0.75 ] [ 0 0 0 ] [ 0.827386 0.172614 0.25 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.21431501449 "source-unit" "angstrom" } "c" { "source-value" 8.57370858 "source-unit" "angstrom" } }