{ "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" [ [ 0.368024 0.368024 0.368024 ] [ 0.131976 0.631976 0.868024 ] [ 0.868024 0.131976 0.631976 ] [ 0.631976 0.868024 0.131976 ] [ 0.627053 0.627053 0.627053 ] [ 0.872947 0.372947 0.127053 ] [ 0.127053 0.872947 0.372947 ] [ 0.372947 0.127053 0.872947 ] [ 0.00521 0.00521 0.00521 ] [ 0.49479 0.99479 0.50521 ] [ 0.50521 0.49479 0.99479 ] [ 0.99479 0.50521 0.49479 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Te" "Te" "Te" "Te" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.76360612 "source-unit" "angstrom" } }