{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.107997 0.25 ] [ 0.5 0.892003 0.75 ] [ 0 0.607997 0.25 ] [ 0 0.392003 0.75 ] [ 0 0.080731 0.75 ] [ 0 0.919269 0.25 ] [ 0.5 0.580731 0.75 ] [ 0.5 0.419269 0.25 ] [ 0.5 0.244404 0.75 ] [ 0.5 0.755596 0.25 ] [ 0 0.744404 0.75 ] [ 0 0.255596 0.25 ] [ 0.235438 0 0.5 ] [ 0.235438 0 0 ] [ 0.764562 0 0 ] [ 0.764562 0 0.5 ] [ 0.735438 0.5 0.5 ] [ 0.735438 0.5 0 ] [ 0.264562 0.5 0 ] [ 0.264562 0.5 0.5 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Bi" "Bi" "Bi" "Bi" "Cl" "Cl" "Cl" "Cl" "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" } "a" { "source-value" 5.7931446231 "source-unit" "angstrom" } "b" { "source-value" 12.7178179465 "source-unit" "angstrom" } "c" { "source-value" 5.68054358 "source-unit" "angstrom" } }