{ "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" [ [ 0.376774 0.376774 0.376774 ] [ 0.123226 0.623226 0.876774 ] [ 0.876774 0.123226 0.623226 ] [ 0.623226 0.876774 0.123226 ] [ 0.98654 0.51346 0.48654 ] [ 0.51346 0.48654 0.98654 ] [ 0.48654 0.98654 0.51346 ] [ 0.01346 0.01346 0.01346 ] [ 0.383358 0.116642 0.883358 ] [ 0.116642 0.883358 0.383358 ] [ 0.883358 0.383358 0.116642 ] [ 0.616642 0.616642 0.616642 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Ir" "Ir" "Ir" "Ir" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.10426699 "source-unit" "angstrom" } }