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=-50.96264431653024 stress="-0.0005341763632826975 -0.001201473140814617 -0.001227427477446587 -0.001201473140814617 -0.00029040901133822614 -0.0008403801730801322 -0.001227427477446587 -0.0008403801730801322 -0.00032197017597488325" pbc="F F F" Br 21.06351116 21.23275152 21.00312518 3.06425974 1.69445517 1.94031595 Br 22.63284563 22.35433788 22.50838503 -2.35124999 6.93451136 -2.35918291 Br 23.85186457 20.83898106 20.86842910 -1.52058636 4.03262906 4.60853226 Br 25.63961113 22.37559735 22.09356668 -5.82168603 1.52807357 2.49735962 Br 21.18286110 23.70336298 21.09226093 2.89989379 -0.77354509 2.95568760 Br 22.67891990 25.78249982 22.66391435 2.07149805 -6.35130706 1.98282382 Br 24.28371557 24.17579706 21.18596869 -57.64505136 -40.82060089 -41.82817546 Br 25.59577305 25.12731287 22.32543901 60.09592135 42.52265374 39.08272536 Br 21.00337063 20.77403614 24.25235635 4.29027932 3.92782588 -1.47970749 Br 22.69329315 22.11151345 25.64604316 0.22843103 1.62464128 -5.97110832 Br 23.93597391 20.99305963 23.74342803 3.88773026 -0.03247833 3.29002599 Br 25.76267262 22.32705593 25.42828366 -4.04277700 1.27947159 -3.32702707 Br 21.12802009 23.88189668 24.19660728 -22.30953402 -35.41927899 -27.02479038 Br 22.26789895 25.24544399 25.20776815 31.07758919 30.74202083 20.57201267 Br 24.26891559 24.23865771 23.82596724 -13.99727789 -11.69609566 4.12051898 Br 25.26888931 25.58652272 25.39315627 0.07255992 0.80702353 0.93998937