{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.238444 0 0.5 ] [ 0.761556 0.761556 0.5 ] [ 0 0.238444 0.5 ] [ 0.60041 0 0 ] [ 0.39959 0.39959 0 ] [ 0 0.60041 0 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Si" "Si" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.78583164671 "source-unit" "angstrom" } "c" { "source-value" 3.3172913 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 148.86531130613452 "source-unit" "GPa" "source-std-uncert-value" 0.6160454689867265 } }