{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P31m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.646214 0.211357 ] [ 0.646214 0 0.211357 ] [ 0.353786 0.353786 0.211357 ] [ 0.3114 0 0.917391 ] [ 0.6886 0.6886 0.917391 ] [ 0 0.3114 0.917391 ] [ 0.333333 0.666667 0.497883 ] [ 0 0 0.648148 ] [ 0.666667 0.333333 0.497883 ] [ 0 0.641997 0.711248 ] [ 0.641997 0 0.711248 ] [ 0.358003 0.358003 0.711248 ] [ 0.311772 0 0.419708 ] [ 0.688228 0.688228 0.419708 ] [ 0 0.311772 0.419708 ] [ 0.333333 0.666667 0.986768 ] [ 0 0 0.161801 ] [ 0.666667 0.333333 0.986768 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.22227110996 "source-unit" "angstrom" } "c" { "source-value" 6.03313254 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 91.69938787529034 "source-unit" "GPa" "source-std-uncert-value" 0.03694941515290395 } }