20 Lattice="4.160708639913386 4.160708639913386 0.0 -4.160708639913386 4.160708639913386 0.0 0.0 0.0 8.321417279826772" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-143.95769479266636 pbc="T T T" Ba 0.00040784 0.00166130 -0.00036685 0.00000000 Hf 2.08039420 2.08079266 2.08042091 0.00000000 O 2.08038539 2.08157754 -0.04339858 0.00000000 O -0.04510806 2.08155077 2.08090110 0.00000000 O -2.08058446 4.11593383 2.08019674 0.00000000 K -0.00018778 4.16184887 0.00011089 0.00000000 Sb 2.08034291 6.24146533 2.08043756 0.00000000 O 2.08034684 6.24159951 0.04342670 0.00000000 O 0.04511466 6.24095931 2.08041097 0.00000000 O 2.08057486 4.20615730 2.08019978 0.00000000 K 0.00020168 0.00125633 4.16068992 0.00000000 Sb 2.08041225 2.08354699 6.24100065 0.00000000 O 2.08044123 2.08157063 4.20406494 0.00000000 O 0.04526700 2.07980465 6.24100665 0.00000000 O -2.07013021 4.20906531 6.24116434 0.00000000 Ba -0.00038401 4.16219159 4.16018641 0.00000000 Hf 2.08033948 6.24509705 6.24095345 0.00000000 O 2.08031779 6.24159603 4.11734720 0.00000000 O -0.04512547 6.25538049 6.24100283 0.00000000 O 2.07006453 4.11908476 6.24115943 0.00000000