{ "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 0.6078 0.5 ] [ 0.3922 0.3922 0.5 ] [ 0.6078 0 0.5 ] [ 0 0.274137 0 ] [ 0.725863 0.725863 0 ] [ 0.274137 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ga" "Ga" "Ga" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.81172859944 "source-unit" "angstrom" } "c" { "source-value" 3.12565781 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 146.90817791234622 "source-unit" "GPa" "source-std-uncert-value" 1.2013585885196392 } }