{ "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_3cm" } "basis-atom-coordinates" { "source-value" [ [ 0.375119 0 0.925607 ] [ 0.375119 0.375119 0.425607 ] [ 0 0.624881 0.425607 ] [ 0 0.375119 0.925607 ] [ 0.624881 0.624881 0.925607 ] [ 0.624881 0 0.425607 ] [ 0 0 0.324288 ] [ 0 0 0.824288 ] [ 0.333333 0.666667 0.206458 ] [ 0.666667 0.333333 0.706458 ] [ 0.333333 0.666667 0.706458 ] [ 0.666667 0.333333 0.206458 ] [ 0.719656 0 0.082337 ] [ 0.719656 0.719656 0.582337 ] [ 0 0.280344 0.582337 ] [ 0 0.719656 0.082337 ] [ 0.280344 0.280344 0.082337 ] [ 0.280344 0 0.582337 ] [ 0.328286 0 0.254255 ] [ 0.328286 0.328286 0.754255 ] [ 0 0.671714 0.754255 ] [ 0 0.328286 0.254255 ] [ 0.671714 0.671714 0.254255 ] [ 0.671714 0 0.754255 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.12181501907 "source-unit" "angstrom" } "c" { "source-value" 8.58486605 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 57.11490848743087 "source-unit" "GPa" "source-std-uncert-value" 0.0013117922190772902 } }