{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.591519 0 0.5 ] [ 0.408481 0.408481 0.5 ] [ 0 0.591519 0.5 ] [ 0.248818 0 0 ] [ 0.751182 0.751182 0 ] [ 0 0.248818 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Al" "Al" "Al" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.88904378378 "source-unit" "angstrom" } "c" { "source-value" 3.5239836 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 138.35237735873233 "source-unit" "GPa" "source-std-uncert-value" 0.0008365803368235447 } }