{ "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_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.829862 0.659723 0.25 ] [ 0.170138 0.829862 0.75 ] [ 0.659723 0.829862 0.75 ] [ 0.340277 0.170138 0.25 ] [ 0.829862 0.170138 0.25 ] [ 0.170138 0.340277 0.75 ] [ 0.333333 0.666667 0.061894 ] [ 0.666667 0.333333 0.561894 ] [ 0.666667 0.333333 0.938106 ] [ 0.333333 0.666667 0.438106 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Cr" "Cr" "Cr" "Cr" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.2062812403 "source-unit" "angstrom" } "c" { "source-value" 6.8935655 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 182.77166644976808 "source-unit" "GPa" "source-std-uncert-value" 0.008814643878992001 } }