16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1.0502168942735834 stress="2.23760092392872 0.05448576603909516 0.13655556184318718 0.05448576603909516 2.369723341779715 -0.0418355988699709 0.13655556184318718 -0.0418355988699709 2.299356696998106" pbc="F F F" F 0.15013517 -0.01098917 -0.18687376 0.05150759 0.04065336 0.04819593 F 1.74825020 1.71227405 1.94041369 0.18741315 0.09806926 0.12992550 F 2.78706776 0.11212379 0.29349962 -0.05520417 0.10081574 0.11520665 F 4.47945029 1.74393711 1.81386056 -0.18011969 0.06688761 0.04273678 F 0.10686974 2.77405398 -0.01481298 0.06999958 -0.03597818 0.06674929 F 1.67841872 4.57474534 1.69134780 0.13807702 -0.20763469 0.09191046 F 2.83403724 2.77154152 0.23163511 -0.03042423 -0.04010947 0.24247719 F 4.22593896 4.30794021 1.47749113 -0.15873228 -0.14693966 0.04161357 F 0.18094855 -0.26934771 2.64784099 0.08580066 0.07670604 -0.03137745 F 1.56011999 1.75971384 4.41570517 0.06441932 0.07364748 -0.20856755 F 2.80254504 -0.02151999 2.83495589 -0.09775292 0.21213917 -0.11002869 F 4.41448690 1.76527559 4.37044863 -0.08144253 0.04384414 -0.10542917 F -0.27324355 2.71341582 2.85175202 0.15255403 -0.04350805 -0.02273564 F 1.26192617 4.66725599 4.62513015 0.03929931 -0.06283921 -0.06301701 F 2.74958257 3.19997130 3.01894525 -0.13860880 -0.11859413 -0.19019554 F 4.35675313 4.58762363 4.60687040 -0.04678604 -0.05715940 -0.04746432