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=0.48567266877660087 stress="-2.092693395204891 -0.1350139777496696 -0.13692704035663839 -0.1350139777496696 -1.6726833450563707 -0.37341819060818904 -0.13692704035663839 -0.37341819060818904 -1.921528571247181" pbc="F F F" H -0.14459490 0.11115480 0.11044915 -0.05338211 -0.03966852 -0.04867614 H 1.70960170 1.31143450 1.33833517 -0.13376470 0.20613852 0.01159722 H 2.78829595 -0.16490224 0.14041416 0.04060722 -0.19952937 -0.18470557 H 4.27812781 1.37077590 1.30401993 0.18126944 0.06888147 0.01929523 H -0.12320595 2.95894820 0.20259391 -0.09581962 -0.03510690 -0.06339660 H 1.56504129 4.20865944 1.36550211 -0.16468449 0.30618859 0.12002379 H 2.78802619 3.22277084 0.18584377 0.19372547 -0.08824454 -0.27956163 H 4.62108252 4.47428778 1.64136437 0.04506334 0.03187407 0.00163826 H 0.26959405 0.17626233 2.85402479 -0.15932703 -0.08803159 0.03409526 H 1.55123160 1.33347829 4.65300231 0.02079741 0.01519984 0.12219440 H 2.85516453 -0.04225341 2.83838552 0.06924628 -0.17555005 0.09981162 H 4.45789336 1.38825682 4.27041603 0.05293813 0.01004067 0.04288414 H 0.19178619 3.17895518 3.29140871 -0.18536691 -0.10187335 -0.07832612 H 1.35851906 4.53253581 4.64904689 0.05858539 0.13705439 0.14104449 H 2.78091226 3.10609294 3.05677904 0.06871136 -0.09684305 0.00005071 H 4.30598025 4.32157598 4.51361598 0.06140082 0.04946982 0.06203096