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=-45.71344893637822 stress="-0.0005189530401482823 2.0926144706191233e-05 2.2559493108011057e-05 2.0926144706191233e-05 -0.000540919570246177 -2.8415452079145696e-05 2.2559493108011057e-05 -2.8415452079145696e-05 -0.0005246827024594166" pbc="F F F" U 20.98335288 20.97491268 20.98535886 -0.03929227 0.00020138 0.08708994 U 22.49093859 22.47645886 22.43889929 -3.65566638 -1.82814110 -1.02075302 U 23.86723635 21.07468707 20.94322743 0.22249588 -2.10881370 -2.25218150 U 25.47022547 22.46534165 22.51458884 4.86041890 -0.70594714 -1.30373034 U 20.93661409 24.04400917 20.98000466 -1.24904656 -0.53475634 -1.23681979 U 22.55017551 25.42585740 22.43295416 -1.49550811 5.23961463 0.28385845 U 23.99948387 24.04097109 21.00250298 1.70552543 0.34644417 -5.22573416 U 25.49613335 25.52542530 22.46948341 1.24125449 1.16963232 0.58707024 U 20.92976097 21.00020650 24.04481172 -0.74651974 -0.69352199 -0.42376332 U 22.53575600 22.46374723 25.52760715 -1.51029614 -0.91067193 3.88288803 U 23.98237401 20.96378213 23.95744285 0.32673885 -4.95658098 0.90928787 U 25.47833471 22.44079262 25.46810309 1.91574933 -0.08540682 1.96046180 U 20.95557711 23.96890338 23.93071605 -3.48476427 0.62836362 1.03389938 U 22.54111159 25.43801355 25.53872196 0.21448855 1.10291684 0.95583013 U 24.01497135 23.92561436 24.04107771 1.55240481 2.82120827 1.44998645 U 25.38510065 25.50236802 25.45259767 0.14201723 0.51545874 0.31260982