{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.737611 0 0 ] [ 0 0 0.262389 ] [ 0 0 0.737611 ] [ 0 0.737611 0 ] [ 0 0.262389 0 ] [ 0.262389 0 0 ] [ 0.237611 0.5 0.5 ] [ 0.5 0.5 0.762389 ] [ 0.5 0.5 0.237611 ] [ 0.5 0.237611 0.5 ] [ 0.5 0.762389 0.5 ] [ 0.762389 0.5 0.5 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.5 0.837865 0.837865 ] [ 0.5 0.162135 0.162135 ] [ 0.337865 0 0.662135 ] [ 0.162135 0.5 0.162135 ] [ 0.162135 0.162135 0.5 ] [ 0.337865 0.662135 0 ] [ 0.837865 0.5 0.837865 ] [ 0 0.662135 0.337865 ] [ 0.837865 0.837865 0.5 ] [ 0.662135 0 0.337865 ] [ 0.662135 0.337865 0 ] [ 0 0.337865 0.662135 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0 0.337865 0.337865 ] [ 0 0.662135 0.662135 ] [ 0.837865 0.5 0.162135 ] [ 0.662135 0 0.662135 ] [ 0.662135 0.662135 0 ] [ 0.837865 0.162135 0.5 ] [ 0.337865 0 0.337865 ] [ 0.5 0.162135 0.837865 ] [ 0.337865 0.337865 0 ] [ 0.162135 0.5 0.837865 ] [ 0.162135 0.837865 0.5 ] [ 0.5 0.837865 0.162135 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "bcc" ] } "a" { "source-value" 9.40041979561 "source-unit" "angstrom" } }