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=-45.71344893637818 stress="-38.44819283850608 1.5503762089922661 1.671387725386312 1.5503762089922661 -40.07564912039884 -2.1052440136397106 1.671387725386312 -2.1052440136397106 -38.872692059813374" pbc="F F F" U -0.01664712 -0.02508732 -0.01464114 -0.03929227 0.00020138 0.08708994 U 1.49093859 1.47645886 1.43889929 -3.65566638 -1.82814110 -1.02075302 U 2.86723635 0.07468707 -0.05677257 0.22249588 -2.10881370 -2.25218150 U 4.47022547 1.46534165 1.51458884 4.86041890 -0.70594714 -1.30373034 U -0.06338591 3.04400917 -0.01999534 -1.24904656 -0.53475634 -1.23681979 U 1.55017551 4.42585740 1.43295416 -1.49550811 5.23961463 0.28385845 U 2.99948387 3.04097109 0.00250298 1.70552543 0.34644417 -5.22573416 U 4.49613335 4.52542530 1.46948341 1.24125449 1.16963232 0.58707024 U -0.07023903 0.00020650 3.04481172 -0.74651974 -0.69352199 -0.42376332 U 1.53575600 1.46374723 4.52760715 -1.51029614 -0.91067193 3.88288803 U 2.98237401 -0.03621787 2.95744285 0.32673885 -4.95658098 0.90928787 U 4.47833471 1.44079262 4.46810309 1.91574933 -0.08540682 1.96046180 U -0.04442289 2.96890338 2.93071605 -3.48476427 0.62836362 1.03389938 U 1.54111159 4.43801355 4.53872196 0.21448855 1.10291684 0.95583013 U 3.01497135 2.92561436 3.04107771 1.55240481 2.82120827 1.44998645 U 4.38510065 4.50236802 4.45259767 0.14201723 0.51545874 0.31260982