32 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=-47.1256479189 stress="-0.07670525771037846 0.04359107945676586 0.05253435151576857 0.04359107945676586 -0.07160930088855708 0.013305636524543696 0.05253435151576857 0.013305636524543696 -0.08622364904627104" pbc="F F F" N -0.01546661 0.10170120 -0.12206635 1.09439591 1.85662667 1.18074687 N 1.20178077 1.50082602 0.24624097 -0.58251741 0.10135260 -3.64469677 N 1.64302402 -0.14501107 1.61042859 -0.10321873 -0.29519334 -1.69867280 N 0.20947124 1.35512851 1.55280714 -3.30165587 -3.37430554 1.32168086 N 2.91333883 -0.15344509 -0.12758765 1.94248827 3.04150518 0.89051635 N 4.32230844 1.41049160 -0.27713580 -6.08657895 -3.07695666 -1.47761579 N 4.43858073 -0.24794580 1.65488783 -3.08833130 1.88098378 1.43524212 N 2.92054207 1.20245745 1.66431082 3.10900669 -3.01507651 -0.36137153 N -0.18574270 2.98844065 0.20367324 -0.04350002 0.15301463 -0.95642818 N 1.36983098 4.37366136 -0.03902326 0.01504432 1.63306739 0.81627214 N 1.28219307 3.21813893 1.26716069 3.97159537 -3.20585806 -0.58083721 N 0.19410236 4.33096497 1.38201197 -3.13154609 3.06355028 1.26530595 N 2.93300593 2.72002482 -0.22303573 6.08274888 -1.21185057 -1.08219561 N 4.41661558 4.16732510 0.22586561 -3.36272453 -2.75668294 2.69065869 N 4.79391194 2.72614529 1.52103145 1.16700561 2.69233415 0.17108715 N 2.77761356 4.68220204 1.39362841 0.60989764 0.46820968 -1.99778110 N -0.04670257 0.02724172 2.77538150 0.52398448 -1.89964493 -1.02060216 N 1.20296332 1.20428732 3.12000440 -2.58416881 -0.15074767 0.86284014 N 1.28984966 -0.01264569 4.42299150 -1.51882334 -0.92994849 -0.16749028 N -0.09301634 1.68107110 4.32825321 -0.10043010 2.13539626 0.31984004 N 3.13102478 0.09995250 3.26120756 4.25349669 -4.24316206 -2.05227181 N 4.77429090 1.75226748 2.81270094 3.10433437 1.69052823 -0.13838458 N 4.54396501 0.07236142 4.70379337 -2.67786052 1.29651329 -1.47842665 N 3.23854596 1.26922180 4.28229695 3.96988326 0.61899047 4.94480284 N 0.02031036 3.18745344 3.02015752 -3.20355436 1.93782095 1.98739003 N 1.58976132 4.77711528 2.87871118 1.17939396 2.89913067 -3.21586416 N 1.25213077 2.94336843 4.21824351 -0.37562531 0.67667132 3.26001440 N 0.13616082 4.26429260 4.62968218 -0.27290733 -1.89170650 -0.65921348 N 3.21980528 3.29977655 3.18543805 3.72185182 5.17266780 3.06654742 N 4.40429633 4.73038396 3.19989723 -0.42009490 -1.45013733 -2.50642689 N 4.62961200 2.87425859 4.65720406 -1.43459146 -1.53031833 -1.92125983 N 2.75607700 4.24194799 4.77432867 -2.45699824 -2.28677445 0.74659382