{ "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" [ [ 0.412126 0.412126 0.5 ] [ 0.587874 0 0.5 ] [ 0 0.587874 0.5 ] [ 0 0 0.5 ] [ 0 0.247184 0 ] [ 0.247184 0 0 ] [ 0.752816 0.752816 0 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Cu" "Cu" "Cu" "Cu" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.38244621 "source-unit" "angstrom" } "c" { "source-value" 3.99339376 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 137.7190691761557 "source-unit" "GPa" "source-std-uncert-value" 0.20817662204260046 } }