{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.385425 0 0.062135 ] [ 0.614575 0 0.937865 ] [ 0.777253 0 0.624454 ] [ 0.222747 0 0.375546 ] [ 0.924224 0.289291 0.686002 ] [ 0.075776 0.289291 0.313998 ] [ 0.075776 0.710709 0.313998 ] [ 0.924224 0.710709 0.686002 ] [ 0.824379 0.180382 0.20037 ] [ 0.175621 0.180382 0.79963 ] [ 0.175621 0.819618 0.79963 ] [ 0.824379 0.819618 0.20037 ] [ 0.5 0.5 0 ] [ 0.885425 0.5 0.062135 ] [ 0.114575 0.5 0.937865 ] [ 0.277253 0.5 0.624454 ] [ 0.722747 0.5 0.375546 ] [ 0.424224 0.789291 0.686002 ] [ 0.575776 0.789291 0.313998 ] [ 0.575776 0.210709 0.313998 ] [ 0.424224 0.210709 0.686002 ] [ 0.324379 0.680382 0.20037 ] [ 0.675621 0.680382 0.79963 ] [ 0.675621 0.319618 0.79963 ] [ 0.324379 0.319618 0.20037 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Fe" "Fe" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.7991690651 "source-unit" "angstrom" } "b" { "source-value" 7.65027154925 "source-unit" "angstrom" } "c" { "source-value" 5.06607638482 "source-unit" "angstrom" } "beta" { "source-value" 100.777256848 "source-unit" "degree" } }