{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0.031516 0.017989 0.254498 ] [ 0.254498 0.031516 0.017989 ] [ 0.017989 0.254498 0.031516 ] [ 0.482011 0.745502 0.531516 ] [ 0.754498 0.468484 0.982011 ] [ 0.982011 0.754498 0.468484 ] [ 0.245502 0.968484 0.517989 ] [ 0.745502 0.531516 0.482011 ] [ 0.517989 0.245502 0.968484 ] [ 0.531516 0.482011 0.745502 ] [ 0.968484 0.517989 0.245502 ] [ 0.468484 0.982011 0.754498 ] [ 0.968484 0.982011 0.745502 ] [ 0.745502 0.968484 0.982011 ] [ 0.982011 0.745502 0.968484 ] [ 0.517989 0.254498 0.468484 ] [ 0.245502 0.531516 0.017989 ] [ 0.017989 0.245502 0.531516 ] [ 0.754498 0.031516 0.482011 ] [ 0.254498 0.468484 0.517989 ] [ 0.482011 0.754498 0.031516 ] [ 0.468484 0.517989 0.254498 ] [ 0.031516 0.482011 0.754498 ] [ 0.531516 0.017989 0.245502 ] [ 0.778167 0.221833 0.721833 ] [ 0.721833 0.778167 0.221833 ] [ 0.221833 0.721833 0.778167 ] [ 0.278167 0.278167 0.278167 ] [ 0.221833 0.778167 0.278167 ] [ 0.278167 0.221833 0.778167 ] [ 0.778167 0.278167 0.221833 ] [ 0.721833 0.721833 0.721833 ] [ 0.893697 0.106303 0.606303 ] [ 0.606303 0.893697 0.106303 ] [ 0.106303 0.606303 0.893697 ] [ 0.393697 0.393697 0.393697 ] [ 0.106303 0.893697 0.393697 ] [ 0.393697 0.106303 0.893697 ] [ 0.893697 0.393697 0.106303 ] [ 0.606303 0.606303 0.606303 ] [ 0.558814 0.058814 0.441186 ] [ 0.441186 0.558814 0.058814 ] [ 0.058814 0.441186 0.558814 ] [ 0.941186 0.941186 0.941186 ] [ 0.441186 0.941186 0.558814 ] [ 0.558814 0.441186 0.941186 ] [ 0.941186 0.558814 0.441186 ] [ 0.058814 0.058814 0.058814 ] [ 0.232994 0.180714 0.571551 ] [ 0.571551 0.232994 0.180714 ] [ 0.180714 0.571551 0.232994 ] [ 0.319286 0.428449 0.732994 ] [ 0.071551 0.267006 0.819286 ] [ 0.819286 0.071551 0.267006 ] [ 0.928449 0.767006 0.680714 ] [ 0.428449 0.732994 0.319286 ] [ 0.680714 0.928449 0.767006 ] [ 0.732994 0.319286 0.428449 ] [ 0.767006 0.680714 0.928449 ] [ 0.267006 0.819286 0.071551 ] [ 0.767006 0.819286 0.428449 ] [ 0.428449 0.767006 0.819286 ] [ 0.819286 0.428449 0.767006 ] [ 0.680714 0.571551 0.267006 ] [ 0.928449 0.732994 0.180714 ] [ 0.180714 0.928449 0.732994 ] [ 0.071551 0.232994 0.319286 ] [ 0.571551 0.267006 0.680714 ] [ 0.319286 0.071551 0.232994 ] [ 0.267006 0.680714 0.571551 ] [ 0.232994 0.319286 0.071551 ] [ 0.732994 0.180714 0.928449 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.89713461 "source-unit" "angstrom" } }