{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm3" } "basis-atom-coordinates" { "source-value" [ [ 0.164502 0.102077 0 ] [ 0 0.164502 0.102077 ] [ 0.102077 0 0.164502 ] [ 0.897923 0 0.164502 ] [ 0 0.835498 0.897923 ] [ 0.897923 0 0.835498 ] [ 0 0.835498 0.102077 ] [ 0 0.164502 0.897923 ] [ 0.102077 0 0.835498 ] [ 0.164502 0.897923 0 ] [ 0.835498 0.102077 0 ] [ 0.835498 0.897923 0 ] [ 0.332113 0.398382 0.5 ] [ 0.5 0.332113 0.398382 ] [ 0.398382 0.5 0.332113 ] [ 0.601618 0.5 0.332113 ] [ 0.5 0.667887 0.601618 ] [ 0.601618 0.5 0.667887 ] [ 0.5 0.667887 0.398382 ] [ 0.5 0.332113 0.601618 ] [ 0.398382 0.5 0.667887 ] [ 0.332113 0.601618 0.5 ] [ 0.667887 0.398382 0.5 ] [ 0.667887 0.601618 0.5 ] [ 0.366261 0 0 ] [ 0 0.366261 0 ] [ 0 0 0.366261 ] [ 0 0.633739 0 ] [ 0 0 0.633739 ] [ 0.633739 0 0 ] [ 0.11118 0.5 0.5 ] [ 0.5 0.11118 0.5 ] [ 0.5 0.5 0.11118 ] [ 0.5 0.88882 0.5 ] [ 0.5 0.5 0.88882 ] [ 0.88882 0.5 0.5 ] [ 0.120548 0.186753 0.304387 ] [ 0.304387 0.120548 0.186753 ] [ 0.186753 0.304387 0.120548 ] [ 0.813247 0.695613 0.120548 ] [ 0.304387 0.879452 0.813247 ] [ 0.813247 0.304387 0.879452 ] [ 0.695613 0.879452 0.186753 ] [ 0.695613 0.120548 0.813247 ] [ 0.186753 0.695613 0.879452 ] [ 0.120548 0.813247 0.695613 ] [ 0.879452 0.186753 0.695613 ] [ 0.879452 0.813247 0.304387 ] [ 0.879452 0.813247 0.695613 ] [ 0.695613 0.879452 0.813247 ] [ 0.813247 0.695613 0.879452 ] [ 0.186753 0.304387 0.879452 ] [ 0.695613 0.120548 0.186753 ] [ 0.186753 0.695613 0.120548 ] [ 0.304387 0.120548 0.813247 ] [ 0.304387 0.879452 0.186753 ] [ 0.813247 0.304387 0.120548 ] [ 0.879452 0.186753 0.304387 ] [ 0.120548 0.813247 0.304387 ] [ 0.120548 0.186753 0.695613 ] [ 0.391185 0.313952 0.191995 ] [ 0.191995 0.391185 0.313952 ] [ 0.313952 0.191995 0.391185 ] [ 0.686048 0.808005 0.391185 ] [ 0.191995 0.608815 0.686048 ] [ 0.686048 0.191995 0.608815 ] [ 0.808005 0.608815 0.313952 ] [ 0.808005 0.391185 0.686048 ] [ 0.313952 0.808005 0.608815 ] [ 0.391185 0.686048 0.808005 ] [ 0.608815 0.313952 0.808005 ] [ 0.608815 0.686048 0.191995 ] [ 0.608815 0.686048 0.808005 ] [ 0.808005 0.608815 0.686048 ] [ 0.686048 0.808005 0.608815 ] [ 0.313952 0.191995 0.608815 ] [ 0.808005 0.391185 0.313952 ] [ 0.313952 0.808005 0.391185 ] [ 0.191995 0.391185 0.686048 ] [ 0.191995 0.608815 0.313952 ] [ 0.686048 0.191995 0.391185 ] [ 0.608815 0.313952 0.191995 ] [ 0.391185 0.686048 0.191995 ] [ 0.391185 0.313952 0.808005 ] [ 0.871296 0.89542 0.5 ] [ 0.871296 0.10458 0.5 ] [ 0.128704 0.89542 0.5 ] [ 0.10458 0.5 0.871296 ] [ 0.5 0.128704 0.89542 ] [ 0.5 0.871296 0.10458 ] [ 0.89542 0.5 0.871296 ] [ 0.5 0.871296 0.89542 ] [ 0.89542 0.5 0.128704 ] [ 0.10458 0.5 0.128704 ] [ 0.5 0.128704 0.10458 ] [ 0.128704 0.10458 0.5 ] [ 0.687316 0 0.5 ] [ 0 0.5 0.687316 ] [ 0.5 0.687316 0 ] [ 0 0.5 0.312684 ] [ 0.5 0.312684 0 ] [ 0.312684 0 0.5 ] [ 0.16551 0.299639 0.5 ] [ 0.5 0.16551 0.299639 ] [ 0.299639 0.5 0.16551 ] [ 0.700361 0.5 0.16551 ] [ 0.5 0.83449 0.700361 ] [ 0.700361 0.5 0.83449 ] [ 0.5 0.83449 0.299639 ] [ 0.83449 0.700361 0.5 ] [ 0.83449 0.299639 0.5 ] [ 0.16551 0.700361 0.5 ] [ 0.299639 0.5 0.83449 ] [ 0.5 0.16551 0.700361 ] [ 0.673557 0.791408 0 ] [ 0.673557 0.208592 0 ] [ 0.326443 0.791408 0 ] [ 0.208592 0 0.673557 ] [ 0 0.326443 0.791408 ] [ 0 0.673557 0.208592 ] [ 0.791408 0 0.673557 ] [ 0 0.673557 0.791408 ] [ 0.791408 0 0.326443 ] [ 0.208592 0 0.326443 ] [ 0 0.326443 0.208592 ] [ 0.326443 0.208592 0 ] [ 0 0.681028 0.402679 ] [ 0.681028 0.597321 0 ] [ 0.681028 0.402679 0 ] [ 0.318972 0.597321 0 ] [ 0.402679 0 0.681028 ] [ 0 0.318972 0.597321 ] [ 0.597321 0 0.681028 ] [ 0 0.681028 0.597321 ] [ 0.597321 0 0.318972 ] [ 0.402679 0 0.318972 ] [ 0 0.318972 0.402679 ] [ 0.318972 0.402679 0 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Si" "Si" "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" 12.93086401 "source-unit" "angstrom" } }