{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0.868472 0.631528 0.368472 ] [ 0.131528 0.368472 0.631528 ] [ 0.368472 0.868472 0.631528 ] [ 0.631528 0.368472 0.868472 ] [ 0.631528 0.131528 0.368472 ] [ 0.368472 0.631528 0.131528 ] [ 0.131528 0.131528 0.131528 ] [ 0.868472 0.868472 0.868472 ] [ 0.485761 0.757998 0.528502 ] [ 0.242002 0.028502 0.014239 ] [ 0.757998 0.528502 0.485761 ] [ 0.242002 0.471498 0.514239 ] [ 0.471498 0.985761 0.742002 ] [ 0.014239 0.242002 0.028502 ] [ 0.514239 0.242002 0.471498 ] [ 0.742002 0.471498 0.985761 ] [ 0.258332 0.758332 0.741668 ] [ 0.028502 0.485761 0.742002 ] [ 0.528502 0.485761 0.757998 ] [ 0.971498 0.985761 0.757998 ] [ 0.758332 0.758332 0.758332 ] [ 0.971498 0.514239 0.257998 ] [ 0.241668 0.241668 0.241668 ] [ 0.528502 0.014239 0.257998 ] [ 0.985761 0.742002 0.471498 ] [ 0.028502 0.014239 0.242002 ] [ 0.741668 0.258332 0.758332 ] [ 0.514239 0.257998 0.971498 ] [ 0.758332 0.741668 0.258332 ] [ 0.257998 0.971498 0.514239 ] [ 0.742002 0.028502 0.485761 ] [ 0.741668 0.241668 0.258332 ] [ 0.985761 0.757998 0.971498 ] [ 0.257998 0.528502 0.014239 ] [ 0.757998 0.971498 0.985761 ] [ 0.471498 0.514239 0.242002 ] [ 0.241668 0.258332 0.741668 ] [ 0.258332 0.741668 0.241668 ] [ 0.485761 0.742002 0.028502 ] [ 0.014239 0.257998 0.528502 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.07375677 "source-unit" "angstrom" } }