{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2mm" } "basis-atom-coordinates" { "source-value" [ [ 0.803498 0 0 ] [ 0.350012 0.927054 0 ] [ 0.350012 0.072946 0 ] [ 0.339577 0.786055 0 ] [ 0.339577 0.213945 0 ] [ 0.654395 0.926692 0.5 ] [ 0.654395 0.073308 0.5 ] [ 0.652773 0.780086 0.5 ] [ 0.652773 0.219914 0.5 ] [ 0.197444 0.85225 0.5 ] [ 0.197444 0.14775 0.5 ] [ 0.303498 0.5 0 ] [ 0.850012 0.427054 0 ] [ 0.850012 0.572946 0 ] [ 0.839577 0.286055 0 ] [ 0.839577 0.713945 0 ] [ 0.154395 0.426692 0.5 ] [ 0.154395 0.573308 0.5 ] [ 0.152773 0.280086 0.5 ] [ 0.152773 0.719914 0.5 ] [ 0.697444 0.35225 0.5 ] [ 0.697444 0.64775 0.5 ] [ 0.165485 0 0.5 ] [ 0.841307 0.854186 0 ] [ 0.841307 0.145814 0 ] [ 0.665485 0.5 0.5 ] [ 0.341307 0.354186 0 ] [ 0.341307 0.645814 0 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.82201708276 "source-unit" "angstrom" } "b" { "source-value" 19.2542735506 "source-unit" "angstrom" } "c" { "source-value" 4.32139945 "source-unit" "angstrom" } }