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=844.8498450916375 stress="-3997.0771524634706 -2134.6500526063455 -811.7155311909191 -2134.6500526063455 -3923.9310001043173 -498.8732511745802 -811.7155311909191 -498.8732511745802 -4208.652983971007" pbc="F F F" Fm 0.29211512 0.26022257 -0.26640225 -271.99736426 -327.44804130 -390.56550680 Fm 1.38572768 1.34041718 1.28637315 241.79420256 180.56396921 444.95565765 Fm 3.42797070 0.34880642 -0.16015565 -128.26374881 -184.82527151 -344.07279718 Fm 4.32025596 1.26378387 1.68036766 916.53125885 693.89240022 -288.27450766 Fm 0.16055801 2.82345129 -0.15498689 -102.87624194 130.13055506 -107.72125373 Fm 1.40771754 4.31278056 1.68949025 -169.36562043 216.69344834 -85.83243410 Fm 2.97244875 3.05368877 0.26982441 -145.87878851 -189.59523901 -395.50312124 Fm 4.34699680 4.31221311 1.50978122 453.74586691 424.07499523 -42.47186530 Fm 0.10110092 -0.08538984 3.18988400 -317.98176926 -335.42371655 -217.10787144 Fm 1.42369180 1.33176856 4.23029250 281.92630786 295.99399759 308.83629339 Fm 3.01858379 0.02212801 2.71795450 -611.94018236 -738.38960267 529.57987981 Fm 4.46618056 1.60059548 4.30549475 63.54921963 -27.32657882 98.75692125 Fm -0.14905628 3.17228049 3.37809501 -300.39162188 -181.67396898 -124.71155528 Fm 1.39669850 4.51090022 4.35364545 209.88607162 215.49552784 191.23792069 Fm 3.01677225 3.01502404 2.79079544 -225.31725165 -287.67996152 273.15924635 Fm 4.44341796 4.43038239 4.06430805 106.57966167 115.51748687 149.73499358