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=7.906083590123457 stress="-0.00018699411780638398 -4.156979273474827e-05 1.1245057143699787e-05 -4.156979273474827e-05 -0.00017764486572493393 -3.7894149519889525e-05 1.1245057143699787e-05 -3.7894149519889525e-05 -0.0001932965835582371" free_energy=7.906083590123457 pbc="F F F" O 21.11042859 21.20947124 20.85512851 -0.41526432 -0.31831331 -0.27354346 O 22.55280714 22.33633033 22.34655491 -0.58057601 -0.52228152 -0.78925986 O 23.87241235 20.82230844 20.91049160 0.45933183 -0.67445269 -0.64706794 O 25.22286420 22.34556439 22.25205420 1.57079155 -0.49357469 -0.57852279 O 21.15488783 24.05988540 20.70245745 -0.86881841 0.37473843 -0.75755682 O 22.66431082 25.31425730 22.48844065 0.05231842 0.78280463 0.27745762 O 24.03277713 24.08079084 20.87366136 0.27969055 0.35503440 -1.42789789 O 25.46097674 25.28219307 22.71813893 1.04540012 0.86962189 -0.20453592 O 20.76716069 21.19410236 23.83096497 -0.80383262 -0.90309090 0.40093268 O 22.38201197 22.43300593 25.04827803 -1.14003465 1.39799732 -0.44820204 O 23.77696427 20.91661558 23.96512192 -0.04805329 -1.01986375 0.81792536 O 25.72586561 22.79391194 25.22614529 0.79814025 -0.56775069 0.66891076 O 21.02103145 23.77761356 24.18220204 0.27528412 -0.97038825 1.36037897 O 22.52465319 25.73573857 25.52724172 -0.10868647 0.67085910 0.62866638 O 23.77538150 23.80291582 23.84887301 -0.88866227 0.41523643 0.34655013 O 25.72083292 25.28984966 25.48735431 0.37297121 0.60342360 0.62576481