20 Lattice="4.056430477924465 4.056430477924465 0.0 -4.056430477924465 4.056430477924465 0.0 0.0 0.0 8.11286095584893" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-151.04417386811122 pbc="T T T" Ba -0.00069072 0.00053179 0.00561352 0.00000000 Hf 2.02806611 2.03051625 2.03375954 0.00000000 O 2.03104413 2.03221901 -0.07599442 0.00000000 O -0.07805902 2.03878858 2.01772572 0.00000000 O -2.02529680 3.98134140 2.02538842 0.00000000 Ca -0.00057071 4.04938100 0.04408762 0.00000000 Ge 2.02755551 6.08606465 2.03267559 0.00000000 O 2.02426717 6.08796388 0.07836949 0.00000000 O 0.07668783 6.08118629 2.02800054 0.00000000 O 2.02496939 4.13573405 2.02556669 0.00000000 Ca -0.00027773 -0.00605353 4.10050316 0.00000000 Ge 2.02727905 2.02761593 6.08960666 0.00000000 O 2.02232056 2.03200636 4.13528631 0.00000000 O 0.07634687 2.00753169 6.07895795 0.00000000 O -2.02116176 4.13498016 6.08832548 0.00000000 Ba -0.00052919 4.05707427 4.06202570 0.00000000 Hf 2.02765008 6.08381557 6.09028231 0.00000000 O 2.03065928 6.08782565 3.98061206 0.00000000 O -0.07886208 6.10730664 6.06824935 0.00000000 O 2.01954010 3.98025792 6.08825723 0.00000000