{ "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 ] [ 0.828735 0.65747 0.25 ] [ 0.171265 0.828735 0.75 ] [ 0.65747 0.828735 0.75 ] [ 0.34253 0.171265 0.25 ] [ 0.828735 0.171265 0.25 ] [ 0.171265 0.34253 0.75 ] [ 0.333333 0.666667 0.067657 ] [ 0.666667 0.333333 0.567657 ] [ 0.666667 0.333333 0.932343 ] [ 0.333333 0.666667 0.432343 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "V" "V" "V" "V" ] } "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" 4.36713951232 "source-unit" "angstrom" } "c" { "source-value" 7.04590598 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 160.0568702970118 "source-unit" "GPa" "source-std-uncert-value" 0.014052584939065582 } }