{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.116619 0.883381 0.383381 ] [ 0.883381 0.383381 0.116619 ] [ 0.616619 0.616619 0.616619 ] [ 0.383381 0.116619 0.883381 ] [ 0.993192 0.506808 0.493192 ] [ 0.506808 0.493192 0.993192 ] [ 0.493192 0.993192 0.506808 ] [ 0.006808 0.006808 0.006808 ] [ 0.113388 0.613388 0.886612 ] [ 0.886612 0.113388 0.613388 ] [ 0.613388 0.886612 0.113388 ] [ 0.386612 0.386612 0.386612 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "Pd" "Pd" "Pd" "Pd" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.18942337 "source-unit" "angstrom" } }