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=-44.2979404989 stress="-0.24961573675689247 -0.07313813180278378 -0.02527640398292989 -0.07313813180278378 -0.1439110674123826 -0.1806963407979083 -0.02527640398292989 -0.1806963407979083 -0.22321081112671867" pbc="F F F" O -0.08129564 0.04860922 0.20118821 -0.07759024 -0.01308229 -0.18799714 O 1.70960170 1.31143450 1.33833517 -1.85661638 7.42504247 1.34852725 O 2.78829595 -0.16490224 0.14041416 2.42300754 -3.96843464 -1.91917930 O 4.27812781 1.51878885 1.60054414 3.03779753 2.08741518 -1.74443876 O -0.12320595 2.95894820 0.13640716 -0.19301713 -2.19358575 0.69900748 O 1.56504129 4.20865944 1.36550211 -2.80427860 6.58638640 3.50277391 O 2.78802619 3.35410003 0.18584377 4.28657139 -3.30740486 -4.07273042 O 4.68362810 4.69581920 1.64685009 -2.59216601 -2.37629845 0.25252373 O 0.26959405 0.43604902 2.85402479 -5.82270407 -4.34079413 -3.22343493 O 1.43588853 1.27711863 4.65300231 3.88195079 3.49884991 4.69848545 O 3.22214033 -0.04225341 3.12140880 -5.34205858 -6.13142553 -4.01950455 O 4.45789336 1.38825682 4.27041603 3.33389698 6.04735247 3.51559627 O 0.19178619 3.17895518 3.29140871 -2.86898247 -1.96714341 -2.14023039 O 1.61455359 4.53253581 4.64904689 1.36730811 0.77010892 0.72195493 O 2.78091226 3.10609294 2.96603997 1.88434561 -2.70835586 1.62273498 O 4.30598025 4.40500929 4.30947001 1.34253554 0.59136956 0.94591150