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=844.8498450916379 stress="-0.053950398883266935 -0.028812358986696058 -0.010956099924291682 -0.028812358986696058 -0.05296311143645822 -0.006733522988534934 -0.010956099924291682 -0.006733522988534934 -0.05680613573009132" pbc="F F F" Fm 21.29211512 21.26022257 20.73359775 -271.99736426 -327.44804130 -390.56550680 Fm 22.38572768 22.34041718 22.28637315 241.79420256 180.56396921 444.95565765 Fm 24.42797070 21.34880642 20.83984435 -128.26374881 -184.82527151 -344.07279718 Fm 25.32025596 22.26378387 22.68036766 916.53125885 693.89240022 -288.27450766 Fm 21.16055801 23.82345129 20.84501311 -102.87624194 130.13055506 -107.72125373 Fm 22.40771754 25.31278056 22.68949025 -169.36562043 216.69344834 -85.83243410 Fm 23.97244875 24.05368877 21.26982441 -145.87878851 -189.59523901 -395.50312124 Fm 25.34699680 25.31221311 22.50978122 453.74586691 424.07499523 -42.47186530 Fm 21.10110092 20.91461016 24.18988400 -317.98176926 -335.42371655 -217.10787144 Fm 22.42369180 22.33176856 25.23029250 281.92630786 295.99399759 308.83629339 Fm 24.01858379 21.02212801 23.71795450 -611.94018236 -738.38960267 529.57987981 Fm 25.46618056 22.60059548 25.30549475 63.54921963 -27.32657882 98.75692125 Fm 20.85094372 24.17228049 24.37809501 -300.39162188 -181.67396898 -124.71155528 Fm 22.39669850 25.51090022 25.35364545 209.88607162 215.49552784 191.23792069 Fm 24.01677225 24.01502404 23.79079544 -225.31725165 -287.67996152 273.15924635 Fm 25.44341796 25.43038239 25.06430805 106.57966167 115.51748687 149.73499358