16 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=7.42424736021 stress="-3.2908008010048544 0.24793099066368882 0.08273738263336097 0.24793099066368882 -2.641045973902647 0.1829428136523054 0.08273738263336097 0.1829428136523054 -4.119954688288301" pbc="F F F" H 0.27219963 -0.06618674 -0.12221444 -2.27667342 -1.42260614 -1.71197651 H 1.00978669 0.47592512 0.53504734 -7.56807432 0.33486239 -4.87391098 H 1.68365717 0.20288723 0.08343331 6.18838607 -4.25092847 -7.69866349 H 2.04585403 0.68002885 0.89096356 9.60041655 1.16662310 1.50979489 H 0.43241748 1.38533286 -0.17816502 -2.99373767 0.62715442 -4.21686826 H 0.96219253 2.17485375 0.87990665 -9.50954532 21.36591799 -13.30079744 H 1.18305616 1.78071744 0.06210000 1.93896746 0.38905759 -11.25796123 H 2.38362859 2.08704133 0.80487769 3.33872324 0.96515150 -0.12863779 H 0.04852473 0.15643619 1.29354433 -3.46905835 -1.31097031 1.92760801 H 0.60566001 0.65562635 2.12719504 -2.05795459 -1.67552510 3.16526634 H 1.29869006 0.11041876 1.26735611 2.03505169 -7.47376663 8.96428571 H 2.33157542 0.63451037 2.19110502 0.58296268 0.35876125 1.00457938 H 0.03369179 1.63641795 1.43276774 -7.26760790 -0.49177571 2.15645676 H 0.71375436 2.15583543 2.00559716 -3.93445662 3.55484762 9.20454448 H 1.20178472 1.79874826 1.27290972 12.86304611 -12.27269638 13.35747739 H 1.98603037 2.16417373 2.22169418 2.52955440 0.13589287 1.89880274