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=-0.5118286762075537 stress="5.6146404500022474e-05 2.1085333701814607e-06 1.934138615719581e-05 2.1085333701814607e-06 5.37172457640883e-05 1.7567313648084177e-06 1.934138615719581e-05 1.7567313648084177e-06 5.7838955346576714e-05" pbc="F F F" H 21.13661615 20.90480033 20.87719504 0.31998710 0.15767737 0.15300850 H 22.23727079 22.61041876 22.26735611 -0.16127859 0.05984183 -0.44395777 H 23.58738865 20.89637418 21.14600149 -0.35086653 0.17029423 0.08884951 H 25.53369179 22.52598936 22.22329650 -0.26271697 0.17594437 -0.15129031 H 20.96375436 23.90583543 20.75559716 0.33023140 -0.09383492 0.42738908 H 21.90424218 25.61300556 22.26135037 -0.08683156 -0.15829096 -0.13351982 H 23.91367900 23.86136659 21.05835534 0.15630774 -0.19910644 0.46705197 H 25.24645637 25.48193431 22.31973839 -0.23696863 -0.27248714 -0.01598151 H 21.07436339 20.92156851 23.66801235 0.08669733 0.12590754 -0.10442204 H 22.49793547 22.78187239 25.51001192 -0.47780069 0.55759243 -0.65198796 H 24.17863575 20.93266618 23.75994562 0.17590460 0.23031327 0.25774849 H 25.15204979 22.22085084 25.52320524 -0.15612747 -0.20643889 -0.28260593 H 21.14302402 23.85498893 24.11042859 0.69900448 -0.47005269 0.47988055 H 22.62608682 25.35512851 25.51792906 0.06666126 -0.24612069 -0.22326509 H 23.91333883 24.07242052 23.87241235 0.16461894 0.42205000 0.38872034 H 25.32230844 25.41049160 25.22286420 -0.26682243 -0.25328933 -0.25561799