{ "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_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.167014 ] [ 0.666667 0.333333 0.667014 ] [ 0.666667 0.333333 0.333491 ] [ 0.333333 0.666667 0.833491 ] [ 0 0 0.500277 ] [ 0 0 0.000277 ] [ 0 0 0.125648 ] [ 0 0 0.625648 ] [ 0.333333 0.666667 0.291996 ] [ 0.666667 0.333333 0.791996 ] [ 0.666667 0.333333 0.458474 ] [ 0.333333 0.666667 0.958474 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.0948841 "source-unit" "angstrom" } "c" { "source-value" 15.18453125 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 213.09857689154433 "source-unit" "GPa" "source-std-uncert-value" 0.0013856356808616965 } }