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=-21.52758699038374 stress="0.0005767236147808441 4.2348433204825394e-05 7.508650703954199e-05 4.2348433204825394e-05 0.0005938985061791613 5.292241440959742e-05 7.508650703954199e-05 5.292241440959742e-05 0.0005854534154809941" pbc="F F F" C 21.15772700 21.19326219 20.98504084 1.10102980 1.71099215 1.39743534 C 22.42556059 22.67881607 22.57246592 1.21121778 0.38170708 1.44292282 C 24.23045184 21.29829666 20.97934435 0.82002599 2.49554915 3.63162192 C 25.40665727 22.27718416 22.55077450 -4.81019592 -1.15528790 -0.61206388 C 20.88922117 23.88913594 21.00387043 1.68333952 -1.20438582 1.63887701 C 22.63711843 25.60867024 22.47604521 1.33980302 -3.18795164 0.53562454 C 24.09063848 24.16141272 21.24824674 -0.85354535 0.05834911 3.51168720 C 25.60989385 25.70914245 22.45873523 -1.72587410 -1.45590653 0.00277424 C 21.21071555 20.70361699 23.98446086 2.10264907 2.27093745 -0.12264866 C 22.12943793 22.56543165 25.36447814 -0.25455886 1.25966232 -4.34620139 C 23.76334785 21.14573287 23.78228795 -0.62139052 3.98289418 -1.71780467 C 25.60821729 22.30936150 25.32485097 -1.46211045 0.29094451 -1.70884144 C 20.93748033 24.04239513 24.11263573 4.36934624 -0.96697906 0.89935850 C 22.19899645 25.71981806 25.21701928 -0.20055530 -2.51474701 -2.15453648 C 23.81560473 23.93591280 24.06719023 -2.09091647 -1.36703517 -1.56062926 C 25.59260563 25.73214988 25.41004078 -0.60826445 -0.59874280 -0.83757579