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=-19.003332512231523 stress="0.000488311970575912 1.2718539457819846e-05 7.403931350082763e-05 1.2718539457819846e-05 0.0005515957237594088 2.491115633359107e-05 7.403931350082763e-05 2.491115633359107e-05 0.0005189677300640449" pbc="F F F" C 21.23909813 21.04722415 21.28473277 1.44876639 1.80326951 1.18039547 C 22.66805024 22.78467542 22.42894809 -0.08807171 0.43658061 0.43357696 C 23.94932735 20.71221664 20.90067538 -0.72390451 1.19384045 0.93490867 C 25.33106595 22.76246177 22.29350693 -3.78377095 3.09938889 -0.68276081 C 20.90723994 23.71381714 20.79207607 1.34153650 -1.00070418 1.54152877 C 22.61767946 25.44212147 22.50313806 0.70234127 -2.29936439 0.42838608 C 24.48327217 24.11744875 20.82733180 0.76204240 -2.05795514 4.21396393 C 25.64789003 25.61039390 22.71164109 -1.55868553 -1.97321340 0.53146848 C 21.00078024 21.24910893 24.06705035 1.95423508 2.83370380 -0.04985951 C 22.33850473 22.57950448 25.59581277 0.09643657 -0.57111699 -3.51133454 C 23.86003461 21.16376821 24.29103497 -0.95825780 2.98383592 0.27116034 C 25.63999812 22.48612849 25.69647780 -1.80860243 0.98121898 -1.74216651 C 20.74858611 23.73148958 23.94272261 2.48454249 -1.95158743 -0.15669894 C 22.51104761 25.58563825 25.59473432 0.59514879 -1.13422606 -0.94596701 C 24.30548924 23.92376632 24.14001466 1.17606575 -0.36373409 -0.40952131 C 25.53490807 25.32468833 25.54616062 -1.63982232 -1.97993647 -2.03708006