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=-1.3355086204670603 stress="0.9837861895373115 -0.6036256627897384 -0.6098346289483269 -0.6036256627897384 1.003433532099923 -0.7580106239297308 -0.6098346289483269 -0.7580106239297308 0.7626728118771838" pbc="F F F" Cn 0.36006600 0.40663744 0.33474848 -0.28562818 -0.30907669 -0.38688270 Cn 1.40549811 1.60009934 1.75977242 0.39584297 0.43559005 0.44446900 Cn 2.79792321 0.06682723 -0.11127965 -0.02318966 0.08424681 0.09707350 Cn 4.51438127 1.96077530 1.46231779 -0.04427654 -0.02952097 0.02353685 Cn -0.22746678 3.00698039 0.05186407 0.08468377 -0.04280764 0.09127102 Cn 1.30011295 4.68237622 1.37844676 0.02087669 -0.12744548 0.05593043 Cn 3.26147447 3.03471686 -0.28371097 -0.04904947 0.00164057 0.07837105 Cn 4.73916571 4.57523342 1.36851958 -0.06974952 -0.08988368 0.02152002 Cn 0.24860356 0.16020711 3.31400564 -0.08513081 -0.11577608 -0.15884414 Cn 1.49888311 1.61421249 4.48960454 0.17183752 0.20772650 -0.00306067 Cn 2.97388442 -0.28594102 2.73282507 -0.06400735 0.12675459 -0.03158733 Cn 4.55958249 1.51715159 4.70749297 -0.07272210 0.05553351 -0.07701182 Cn -0.16606258 3.14421340 3.10226300 0.11686029 -0.04943482 -0.04989177 Cn 1.43741497 4.63738917 4.30556806 0.04445534 -0.07953513 -0.07508333 Cn 3.28191644 3.31460356 3.00164386 -0.15099659 -0.06294411 -0.04800592 Cn 4.58237377 4.46506543 4.57060428 0.01019362 -0.00506743 0.01819581