{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.235655 ] [ 0.764345 0 0 ] [ 0.235655 0 0 ] [ 0 0.235655 0 ] [ 0 0 0.764345 ] [ 0 0.764345 0 ] [ 0 0.5 0.735655 ] [ 0.764345 0.5 0.5 ] [ 0.235655 0.5 0.5 ] [ 0 0.735655 0.5 ] [ 0 0.5 0.264345 ] [ 0 0.264345 0.5 ] [ 0.5 0 0.735655 ] [ 0.264345 0 0.5 ] [ 0.735655 0 0.5 ] [ 0.5 0.235655 0.5 ] [ 0.5 0 0.264345 ] [ 0.5 0.764345 0.5 ] [ 0.5 0.5 0.235655 ] [ 0.264345 0.5 0 ] [ 0.735655 0.5 0 ] [ 0.5 0.735655 0 ] [ 0.5 0.5 0.764345 ] [ 0.5 0.264345 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ho" "Ho" "Ho" "Ho" "Re" "Re" "Re" "Re" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" [ "fcc" ] } "a" { "source-value" 8.45131743671 "source-unit" "angstrom" } }