{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.175221 0.68845 0 ] [ 0.824779 0.31155 0 ] [ 0.824779 0.68845 0 ] [ 0.31155 0 0.175221 ] [ 0 0.175221 0.31155 ] [ 0 0.175221 0.68845 ] [ 0.31155 0 0.824779 ] [ 0 0.824779 0.68845 ] [ 0.175221 0.31155 0 ] [ 0.68845 0 0.824779 ] [ 0 0.824779 0.31155 ] [ 0.68845 0 0.175221 ] [ 0.675221 0.18845 0.5 ] [ 0.324779 0.81155 0.5 ] [ 0.324779 0.18845 0.5 ] [ 0.81155 0.5 0.675221 ] [ 0.5 0.675221 0.81155 ] [ 0.5 0.675221 0.18845 ] [ 0.81155 0.5 0.324779 ] [ 0.5 0.324779 0.18845 ] [ 0.675221 0.81155 0.5 ] [ 0.18845 0.5 0.324779 ] [ 0.5 0.324779 0.81155 ] [ 0.18845 0.5 0.675221 ] ] } "species" { "source-value" [ "Na" "Na" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "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" } "a" { "source-value" 7.44436964605 "source-unit" "angstrom" } }