16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=0.3111951303743021 stress="-3.832707852697937e-05 -8.768661759401856e-06 3.602318522702675e-05 -8.768661759401856e-06 -4.525142680537481e-05 -7.683895933615914e-06 3.602318522702675e-05 -7.683895933615914e-06 -6.622207845623053e-05" free_energy=0.3111951303743021 pbc="F F F" O 20.96874127 21.21005355 21.21211731 -0.23363505 -0.21577813 -0.32847561 O 22.44968690 22.79594673 22.65710459 0.91772944 0.47325567 0.61844146 O 23.94674102 20.85687199 21.22508331 0.00600136 -0.32531769 -0.27916855 O 25.74122900 22.66633954 22.07657840 0.26252493 0.10417486 -0.14888507 O 20.92534241 24.23416018 20.81443107 -0.28881633 0.08955627 -0.30576023 O 22.54376171 25.22051529 22.69273990 1.20683430 -0.46494827 0.97045911 O 24.06634822 23.95191993 21.05332204 0.34413381 -0.12608887 -0.61926418 O 25.38436473 25.73110688 22.69693736 0.35196224 0.37086039 -0.17962110 O 21.01283276 21.20071341 23.93739350 -0.26262735 -0.33968137 0.20475037 O 22.77971064 22.68973496 25.45706424 -0.07026257 -0.12285529 0.55767259 O 24.33002561 20.71321713 24.07168315 0.15490829 -0.17375260 0.16611021 O 25.28604778 22.48395843 25.29224623 0.32374824 -0.24220589 0.14146112 O 20.73214964 24.13613152 24.31342778 -0.33025428 0.36479907 0.36727866 O 22.08832119 25.49188881 25.56482696 -0.29028753 0.03443155 0.04601203 O 23.84620060 24.01821382 23.70575425 -2.18740171 0.47161105 -1.47952911 O 25.55465150 25.72189601 25.41088903 0.09544220 0.10193923 0.26851830