{ "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 0.085537 ] [ 0.666667 0.333333 0.585537 ] [ 0.666667 0.333333 0.914463 ] [ 0.333333 0.666667 0.414463 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Al" "Al" "N" "N" ] } "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" 2.99421741059 "source-unit" "angstrom" } "c" { "source-value" 13.65709883 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 155.36363224825837 "source-unit" "GPa" "source-std-uncert-value" 0.0015676340176185022 } }