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=-1.0502168942735826 stress="3.0201934509349913e-05 7.354195826462286e-07 1.8431535720114664e-06 7.354195826462286e-07 3.198525188667142e-05 -5.646744259525562e-07 1.8431535720114664e-06 -5.646744259525562e-07 3.103548073909542e-05" pbc="F F F" F 21.15013517 20.98901083 20.81312624 0.05150759 0.04065336 0.04819593 F 22.74825020 22.71227405 22.94041369 0.18741315 0.09806926 0.12992550 F 23.78706776 21.11212379 21.29349962 -0.05520417 0.10081574 0.11520665 F 25.47945029 22.74393711 22.81386056 -0.18011969 0.06688761 0.04273678 F 21.10686974 23.77405398 20.98518702 0.06999958 -0.03597818 0.06674929 F 22.67841872 25.57474534 22.69134780 0.13807702 -0.20763469 0.09191046 F 23.83403724 23.77154152 21.23163511 -0.03042423 -0.04010947 0.24247719 F 25.22593896 25.30794021 22.47749113 -0.15873228 -0.14693966 0.04161357 F 21.18094855 20.73065229 23.64784099 0.08580066 0.07670604 -0.03137745 F 22.56011999 22.75971384 25.41570517 0.06441932 0.07364748 -0.20856755 F 23.80254504 20.97848001 23.83495589 -0.09775292 0.21213917 -0.11002869 F 25.41448690 22.76527559 25.37044863 -0.08144253 0.04384414 -0.10542917 F 20.72675645 23.71341582 23.85175202 0.15255403 -0.04350805 -0.02273564 F 22.26192617 25.66725599 25.62513015 0.03929931 -0.06283921 -0.06301701 F 23.74958257 24.19997130 24.01894525 -0.13860880 -0.11859413 -0.19019554 F 25.35675313 25.58762363 25.60687040 -0.04678604 -0.05715940 -0.04746432