{ "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 0.656656 ] [ 0.666667 0.333333 0.156656 ] [ 0.666667 0.333333 0.343344 ] [ 0.333333 0.666667 0.843344 ] [ 0 0 0.40919 ] [ 0 0 0.90919 ] [ 0 0 0.59081 ] [ 0 0 0.09081 ] [ 0.839476 0.678952 0.75 ] [ 0.160524 0.839476 0.25 ] [ 0.678952 0.839476 0.25 ] [ 0.321048 0.160524 0.75 ] [ 0.839476 0.160524 0.75 ] [ 0.160524 0.321048 0.25 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.333333 0.666667 0.126832 ] [ 0.666667 0.333333 0.626832 ] [ 0.666667 0.333333 0.873168 ] [ 0.333333 0.666667 0.373168 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "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" 5.0705938105 "source-unit" "angstrom" } "c" { "source-value" 16.37205541 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 140.6734967794767 "source-unit" "GPa" "source-std-uncert-value" 0.044027212859560905 } }