{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.743924 0.006076 0.006076 ] [ 0.743924 0.243924 0.243924 ] [ 0.506076 0.243924 0.006076 ] [ 0.993924 0.493924 0.756076 ] [ 0.756076 0.256076 0.756076 ] [ 0.756076 0.493924 0.993924 ] [ 0.993924 0.256076 0.993924 ] [ 0.506076 0.006076 0.243924 ] [ 0.743924 0.506076 0.506076 ] [ 0.743924 0.743924 0.743924 ] [ 0.506076 0.743924 0.506076 ] [ 0.993924 0.993924 0.256076 ] [ 0.756076 0.756076 0.256076 ] [ 0.756076 0.993924 0.493924 ] [ 0.993924 0.756076 0.493924 ] [ 0.506076 0.506076 0.743924 ] [ 0.243924 0.006076 0.506076 ] [ 0.243924 0.243924 0.743924 ] [ 0.006076 0.243924 0.506076 ] [ 0.493924 0.493924 0.256076 ] [ 0.256076 0.256076 0.256076 ] [ 0.256076 0.493924 0.493924 ] [ 0.493924 0.256076 0.493924 ] [ 0.006076 0.006076 0.743924 ] [ 0.243924 0.506076 0.006076 ] [ 0.243924 0.743924 0.243924 ] [ 0.006076 0.743924 0.006076 ] [ 0.493924 0.993924 0.756076 ] [ 0.256076 0.756076 0.756076 ] [ 0.256076 0.993924 0.993924 ] [ 0.493924 0.756076 0.993924 ] [ 0.006076 0.506076 0.243924 ] [ 0 0.5 0 ] [ 0 0.25 0.75 ] [ 0.75 0.5 0.75 ] [ 0.75 0.25 0 ] [ 0 0 0.5 ] [ 0 0.75 0.25 ] [ 0.75 0 0.25 ] [ 0.75 0.75 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.25 0.25 ] [ 0.25 0.5 0.25 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0 ] [ 0.5 0.75 0.75 ] [ 0.25 0 0.75 ] [ 0.25 0.75 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "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" } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 8.63909416741 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 138.9378898220224 "source-unit" "GPa" "source-std-uncert-value" 0.00000251119743666095 } }