{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-43n" } "basis-atom-coordinates" { "source-value" [ [ 0.827881 0.827881 0.172119 ] [ 0.827881 0.172119 0.827881 ] [ 0.172119 0.827881 0.827881 ] [ 0.172119 0.172119 0.172119 ] [ 0.327881 0.327881 0.672119 ] [ 0.327881 0.672119 0.327881 ] [ 0.672119 0.327881 0.327881 ] [ 0.672119 0.672119 0.672119 ] [ 0.75 0 0.5 ] [ 0 0.5 0.75 ] [ 0.25 0 0.5 ] [ 0.5 0.25 0 ] [ 0.5 0.75 0 ] [ 0 0.5 0.25 ] [ 0.75 0.5 0 ] [ 0 0.75 0.5 ] [ 0.25 0.5 0 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.578513 0.578513 0.421487 ] [ 0.578513 0.421487 0.578513 ] [ 0.078513 0.078513 0.921487 ] [ 0.078513 0.921487 0.078513 ] [ 0.421487 0.578513 0.578513 ] [ 0.421487 0.421487 0.421487 ] [ 0.921487 0.921487 0.921487 ] [ 0.921487 0.078513 0.078513 ] [ 0.573603 0.866018 0.151203 ] [ 0.573603 0.133982 0.848797 ] [ 0.848797 0.573603 0.133982 ] [ 0.848797 0.426397 0.866018 ] [ 0.866018 0.151203 0.573603 ] [ 0.866018 0.848797 0.426397 ] [ 0.073603 0.348797 0.633982 ] [ 0.073603 0.651203 0.366018 ] [ 0.133982 0.848797 0.573603 ] [ 0.133982 0.151203 0.426397 ] [ 0.151203 0.573603 0.866018 ] [ 0.151203 0.426397 0.133982 ] [ 0.348797 0.366018 0.926397 ] [ 0.348797 0.633982 0.073603 ] [ 0.366018 0.073603 0.651203 ] [ 0.366018 0.926397 0.348797 ] [ 0.426397 0.866018 0.848797 ] [ 0.426397 0.133982 0.151203 ] [ 0.633982 0.073603 0.348797 ] [ 0.633982 0.926397 0.651203 ] [ 0.651203 0.366018 0.073603 ] [ 0.651203 0.633982 0.926397 ] [ 0.926397 0.348797 0.366018 ] [ 0.926397 0.651203 0.633982 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Si" "Si" "Si" "Si" "Si" "Si" "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.04077794 "source-unit" "angstrom" } }