{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.594487 0.67908 0.583126 ] [ 0.915407 0.594487 0.083126 ] [ 0.67908 0.084593 0.083126 ] [ 0.32092 0.915407 0.583126 ] [ 0.084593 0.405513 0.583126 ] [ 0.405513 0.32092 0.083126 ] [ 0.405513 0.32092 0.416874 ] [ 0.084593 0.405513 0.916874 ] [ 0.32092 0.915407 0.916874 ] [ 0.67908 0.084593 0.416874 ] [ 0.915407 0.594487 0.416874 ] [ 0.594487 0.67908 0.916874 ] [ 0.653714 0.725971 0.25 ] [ 0.927743 0.653714 0.75 ] [ 0.725971 0.072257 0.75 ] [ 0.274029 0.927743 0.25 ] [ 0.072257 0.346286 0.25 ] [ 0.346286 0.274029 0.75 ] [ 0 0 0.398098 ] [ 0 0 0.898098 ] [ 0 0 0.601902 ] [ 0 0 0.101902 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.333333 0.666667 0.088024 ] [ 0.666667 0.333333 0.588024 ] [ 0.666667 0.333333 0.911976 ] [ 0.333333 0.666667 0.411976 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.1786714467 "source-unit" "angstrom" } "c" { "source-value" 12.29331828 "source-unit" "angstrom" } }