{ "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" [ [ 0.333333 0.666667 0.437064 ] [ 0.666667 0.333333 0.937064 ] [ 0.666667 0.333333 0.562936 ] [ 0.333333 0.666667 0.062936 ] [ 0.655664 0.827832 0.75 ] [ 0.344336 0.172168 0.25 ] [ 0.827832 0.172168 0.25 ] [ 0.172168 0.344336 0.75 ] [ 0.172168 0.827832 0.75 ] [ 0.827832 0.655664 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "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" 4.73833256063 "source-unit" "angstrom" } "c" { "source-value" 7.80804411 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 208.80378574359565 "source-unit" "GPa" "source-std-uncert-value" 0.16430382896766105 } }