{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.436086 ] [ 0.666667 0.333333 0.936086 ] [ 0.666667 0.333333 0.563914 ] [ 0.333333 0.666667 0.063914 ] [ 0.170662 0.341324 0.75 ] [ 0.829338 0.170662 0.25 ] [ 0.341324 0.170662 0.25 ] [ 0.658676 0.829338 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.829338 0.658676 0.25 ] [ 0.170662 0.829338 0.75 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "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" 4.89560051693 "source-unit" "angstrom" } "c" { "source-value" 8.16242263 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 192.3219495442467 "source-unit" "GPa" "source-std-uncert-value" 0.35878486609212246 } }