{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3cm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.49662 ] [ 0 0 0.99662 ] [ 0.666667 0.333333 0.115581 ] [ 0.333333 0.666667 0.615581 ] [ 0.666667 0.333333 0.615581 ] [ 0.333333 0.666667 0.115581 ] [ 0.376333 0 0.395096 ] [ 0.376333 0.376333 0.895096 ] [ 0 0.623667 0.895096 ] [ 0 0.376333 0.395096 ] [ 0.623667 0.623667 0.395096 ] [ 0.623667 0 0.895096 ] [ 0.718781 0 0.23886 ] [ 0.718781 0.718781 0.73886 ] [ 0 0.281219 0.73886 ] [ 0 0.718781 0.23886 ] [ 0.281219 0.281219 0.23886 ] [ 0.281219 0 0.73886 ] [ 0.672383 0 0.567484 ] [ 0.672383 0.672383 0.067484 ] [ 0 0.327617 0.067484 ] [ 0 0.672383 0.567484 ] [ 0.327617 0.327617 0.567484 ] [ 0.327617 0 0.067484 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.04215909919 "source-unit" "angstrom" } "c" { "source-value" 8.41076547 "source-unit" "angstrom" } }