{ "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" [ [ 0.666667 0.333333 0.577383 ] [ 0.333333 0.666667 0.422617 ] [ 0.333333 0.666667 0.077383 ] [ 0.666667 0.333333 0.922617 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Pb" "Pb" "C" "C" ] } "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" 3.23004624033 "source-unit" "angstrom" } "c" { "source-value" 13.99347095 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 118.2529645552896 "source-unit" "GPa" "source-std-uncert-value" 0.8249155130464061 } }