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=-0.9559172640167937 stress="2.207119814873838 0.2699832762420311 0.07760436812407245 0.2699832762420311 1.9179585429399841 0.10849482713867586 0.07760436812407245 0.10849482713867586 2.139055153926405" pbc="F F F" F 0.29040783 0.05358175 -0.27643689 0.05503311 0.04833395 0.04205064 F 1.30985997 1.77625174 1.53552702 -0.05812035 0.14261827 0.02525234 F 2.95887967 0.03043300 0.04249973 0.03549996 0.09848829 0.11821889 F 4.56974571 1.17016011 1.15203515 -0.16643225 -0.05174360 -0.02281466 F -0.06524698 2.91118613 0.17522662 0.13613392 -0.06346410 0.16430369 F 1.41589115 4.78422576 1.50723930 0.05717805 -0.17781260 0.02338751 F 2.84560649 3.40360513 0.10180170 -0.02982961 0.03205822 0.19229456 F 4.20913149 4.46195385 1.74839775 -0.27802856 -0.25404942 0.12042057 F -0.18608953 -0.14243609 3.43608577 0.06071969 0.04835614 0.00239248 F 1.67476674 1.27822136 4.60935651 0.05261857 -0.01750649 -0.12432828 F 2.75077544 0.22468055 2.72057215 -0.05327800 0.14073453 -0.02832357 F 4.23316229 1.70637649 4.71340132 -0.07379289 0.04863706 -0.05280977 F -0.03077927 3.09452477 2.71305942 0.20725411 -0.02964909 -0.10731014 F 1.29802439 4.32004914 4.31482371 0.00610193 -0.08433731 -0.12218459 F 3.00468410 3.21572245 2.73945160 0.09508403 0.18389646 -0.17710649 F 4.62755197 4.29127507 4.57993692 -0.04614169 -0.06456031 -0.05344318