16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-7.313618402285005 stress="0.00019065871625242701 7.929842639844497e-06 1.4442279045542883e-05 7.929842639844497e-06 0.0002112708614634475 1.618561337098597e-05 1.4442279045542883e-05 1.618561337098597e-05 0.00021628643497736762" pbc="F F F" O 21.09747426 21.03251148 21.04614882 0.80380511 0.69913041 0.61814670 O 22.49516357 22.36048880 22.31177785 0.08594063 0.18512896 -0.34342597 O 23.83899454 21.29048874 20.76137017 -0.63516699 0.90392084 0.85670235 O 25.54390667 22.76938434 22.61216350 -1.05581561 0.67975662 0.08985646 O 20.88970860 24.09443420 20.94962744 0.50474255 -0.23086543 0.66773807 O 22.67878109 25.32141432 22.54462593 0.48697818 -1.74838874 0.84297587 O 24.12944549 23.85273912 20.94736968 -0.15148981 -0.56694667 1.19406681 O 25.60471950 25.33484247 22.76304176 -0.61196375 -0.77167929 0.48612553 O 20.80449530 20.92834380 24.11756199 0.42035783 0.55853424 -0.09456505 O 22.09815751 22.62770397 25.68459379 0.01223788 0.41872776 -0.92414188 O 24.04290003 20.71521866 24.03577944 0.05284812 0.76840146 -0.00989641 O 25.37330312 22.42491805 25.33358583 -0.52239610 0.09848531 -0.70393155 O 20.95326612 23.73297500 23.61763992 1.37367243 -0.18233415 -0.18689348 O 22.18962488 25.21570226 25.32241099 0.28454908 -0.97206610 -0.84232285 O 23.61091353 23.87151017 23.85285350 -0.74082650 0.57675555 -0.88118871 O 25.38742121 25.28063513 25.23366294 -0.30747306 -0.41656075 -0.76924591