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=-28.1539847588 stress="0.18030213298801476 -0.029076068119715612 -0.07202301323053911 -0.029076068119715612 0.15222767979837132 -0.0636344666835557 -0.07202301323053911 -0.0636344666835557 0.21909469708963564" pbc="F F F" O -0.06141927 -0.24794580 0.15488783 0.58934852 0.51103344 1.18649598 O 1.55988540 1.20245745 0.16431082 1.02904040 -2.68157697 -1.91510789 O 1.31425730 -0.01155935 1.53277713 -1.23493288 1.38883699 0.56283186 O 0.14094875 1.37366136 1.46097674 -0.46698045 -0.72497063 -2.52659372 O 2.78219307 0.21813893 -0.23283931 -1.87317490 2.12116923 0.92131943 O 4.69410236 1.33096497 -0.11798803 -0.49901740 -1.08677297 0.69007917 O 4.45501886 -0.27997518 1.27696427 -0.26510270 0.88033980 -0.47000582 O 2.91661558 1.46512192 1.72586561 -1.67734279 -1.06438203 1.09456795 O 0.29391194 2.54248877 0.02103145 1.74361969 -0.89098161 1.80955857 O 1.20295597 4.68220204 -0.10637159 -0.50976480 -0.51653517 1.14229538 O 1.73573857 3.01290447 1.27538150 1.52121255 0.51544918 -3.82822314 O -0.25327497 4.34887301 1.44134821 0.68162659 -0.09015417 -0.90686403 O 2.78984966 2.98735431 -0.07700850 -1.13270302 1.38596764 2.29498235 O 4.40698366 4.48830042 -0.17174679 -0.97064144 -0.42624580 0.89790032 O 4.39275146 3.09995250 1.81452959 -0.37315874 0.67665026 0.48876052 O 3.01193751 4.75226748 1.46431997 0.97742383 -0.75706402 -0.63939201 O 0.04396501 0.07236142 3.20379337 1.30586758 0.03814520 1.76330142 O 1.73854596 1.26922180 2.78229695 4.06405861 -0.43389832 -1.43027131 O 1.40467509 0.18745344 4.52015752 -0.53825156 0.36053185 -1.58751463 O -0.12029223 1.77711528 4.37871118 0.14577190 1.38703883 -2.03308965 O 2.75213077 -0.26874888 2.71824351 -0.60412685 0.82088334 -0.81975359 O 4.63432104 1.26429260 3.12968218 0.19506234 -1.87868509 2.53514894 O 4.71980528 0.29977655 4.68543805 -0.56911937 2.10692509 -2.91467915 O 2.95460942 1.58611212 4.69989723 -0.25560323 0.05860993 0.46267456 O 0.12961200 2.87425859 3.15720406 -1.90185624 -0.55740109 3.98103871 O 1.26564846 4.38507600 3.29768454 -3.27325092 0.43025607 3.76318294 O 1.48273691 2.86065667 4.49947648 1.76142333 -0.45001655 -1.49092303 O -0.02988876 4.20220318 4.21755886 2.65152565 -0.35377084 -4.12736554 O 2.85541431 3.04637956 3.26235339 -0.33621596 0.34656989 2.24237072 O 4.34838096 4.71005355 3.21211731 -0.82654136 -1.43883201 0.88844964 O 4.44968690 3.29594673 4.65710459 -1.65723515 2.04189252 -1.01362284 O 2.99042854 4.35687199 4.47664413 2.29903876 -1.71901199 -1.02155214