{ "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" [ [ 0.666667 0.333333 0.414459 ] [ 0.333333 0.666667 0.914459 ] [ 0.666667 0.333333 0.085541 ] [ 0.333333 0.666667 0.585541 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "As" "As" ] } "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" 4.19361799423 "source-unit" "angstrom" } "c" { "source-value" 7.93207976 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 50.36497502665841 "source-unit" "GPa" "source-std-uncert-value" 3.301358362680304 } }