{ "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 0 0.313625 ] [ 0 0 0.813625 ] [ 0.333333 0.666667 0.204446 ] [ 0.666667 0.333333 0.704446 ] [ 0.333333 0.666667 0.704446 ] [ 0.666667 0.333333 0.204446 ] [ 0.286033 0.286033 0.576789 ] [ 0 0.286033 0.076789 ] [ 0.286033 0 0.076789 ] [ 0.713967 0 0.576789 ] [ 0 0.713967 0.576789 ] [ 0.713967 0.713967 0.076789 ] [ 0.62669 0.62669 0.419506 ] [ 0 0.62669 0.919506 ] [ 0.62669 0 0.919506 ] [ 0.37331 0 0.419506 ] [ 0 0.37331 0.419506 ] [ 0.37331 0.37331 0.919506 ] [ 0.327777 0.327777 0.247699 ] [ 0 0.327777 0.747699 ] [ 0.327777 0 0.747699 ] [ 0.672223 0 0.247699 ] [ 0 0.672223 0.247699 ] [ 0.672223 0.672223 0.747699 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.96743412157 "source-unit" "angstrom" } "c" { "source-value" 8.23975388 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 66.01065817915567 "source-unit" "GPa" "source-std-uncert-value" 0.010378926385783416 } }