{ "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 ] [ 0.75 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 ] [ 0.161683 0.333803 0 ] [ 0.666197 0 0.838317 ] [ 0 0.838317 0.333803 ] [ 0.666197 0 0.161683 ] [ 0 0.838317 0.666197 ] [ 0.333803 0 0.838317 ] [ 0 0.161683 0.666197 ] [ 0 0.161683 0.333803 ] [ 0.333803 0 0.161683 ] [ 0.838317 0.666197 0 ] [ 0.838317 0.333803 0 ] [ 0.161683 0.666197 0 ] [ 0.661683 0.833803 0.5 ] [ 0.166197 0.5 0.338317 ] [ 0.5 0.338317 0.833803 ] [ 0.166197 0.5 0.661683 ] [ 0.5 0.338317 0.166197 ] [ 0.833803 0.5 0.338317 ] [ 0.5 0.661683 0.166197 ] [ 0.5 0.661683 0.833803 ] [ 0.833803 0.5 0.661683 ] [ 0.338317 0.166197 0.5 ] [ 0.338317 0.833803 0.5 ] [ 0.661683 0.166197 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.19979516663 "source-unit" "angstrom" } }