{ "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-6m2" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.199024 ] [ 0 0 0.800976 ] [ 0 0 0.59877 ] [ 0 0 0.40123 ] [ 0 0 0 ] [ 0.333333 0.666667 0.088036 ] [ 0.333333 0.666667 0.911964 ] [ 0.666667 0.333333 0.691043 ] [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0.308957 ] [ 0.666667 0.333333 0.893707 ] [ 0.333333 0.666667 0.707294 ] [ 0.333333 0.666667 0.292706 ] [ 0.666667 0.333333 0.106293 ] [ 0.333333 0.666667 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Al" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "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" 4.20654121369 "source-unit" "angstrom" } "c" { "source-value" 21.78218038 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 55.37575555070695 "source-unit" "GPa" "source-std-uncert-value" 5.801067650137689 } }