20 Lattice="3.9613374206053367 3.9613374206053367 0.0 -3.9613374206053367 3.9613374206053367 0.0 0.0 0.0 7.922674841210673" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-164.86162190601996 pbc="T T T" Ca -0.06232738 -0.08216012 0.10166118 0.00000000 Zr 1.98256199 1.95898009 2.01897839 0.00000000 O 1.62450586 2.40200141 -0.07657188 0.00000000 O -0.04695472 2.38807787 2.23103412 0.00000000 O -2.19075283 3.89169800 1.57866861 0.00000000 Y -0.19380011 3.75024360 0.22516361 0.00000000 Al 1.98197785 5.91792137 2.01695544 0.00000000 O 2.40559859 5.69653304 0.08316897 0.00000000 O 0.11431824 5.57440559 1.57426781 0.00000000 O 2.43348751 4.04970117 2.36040246 0.00000000 Y -0.19246708 -0.21342942 4.18624397 0.00000000 Al 1.97024561 1.95613943 5.97868467 0.00000000 O 2.39954459 1.73566936 4.04800212 0.00000000 O 0.09866675 1.60866075 5.53450331 0.00000000 O -1.55427453 4.04619708 6.32830152 0.00000000 Ca -0.10394949 3.84344941 4.08626974 0.00000000 Zr 1.96451565 5.90942519 5.98322073 0.00000000 O 1.64131699 6.37443114 3.88814893 0.00000000 O -0.06076658 6.34275543 6.19617378 0.00000000 O 1.74948279 3.88828375 5.54061766 0.00000000