{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.729535 0.270465 0.270465 ] [ 0.270465 0.270465 0.729535 ] [ 0.270465 0.270465 0.270465 ] [ 0.729535 0.729535 0.729535 ] [ 0.270465 0.729535 0.729535 ] [ 0.729535 0.270465 0.729535 ] [ 0.270465 0.729535 0.270465 ] [ 0.729535 0.729535 0.270465 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.763433 0 0.5 ] [ 0.763433 0.5 0 ] [ 0.5 0 0.763433 ] [ 0 0.763433 0.5 ] [ 0.5 0 0.236567 ] [ 0 0.236567 0.5 ] [ 0.5 0.763433 0 ] [ 0.5 0.236567 0 ] [ 0 0.5 0.236567 ] [ 0 0.5 0.763433 ] [ 0.236567 0 0.5 ] [ 0.236567 0.5 0 ] [ 0.753631 0.5 0.5 ] [ 0.5 0.753631 0.5 ] [ 0.5 0.246369 0.5 ] [ 0.5 0.5 0.246369 ] [ 0.270037 0 0 ] [ 0 0 0.729963 ] [ 0 0 0.270037 ] [ 0 0.270037 0 ] [ 0 0.729963 0 ] [ 0.729963 0 0 ] [ 0.246369 0.5 0.5 ] [ 0.5 0.5 0.753631 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Ca" "Cu" "Cu" "Cu" "Cu" "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" [ "sc" ] } "a" { "source-value" 8.07886874 "source-unit" "angstrom" } }