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=-35.67013685391406 stress="4.6415186999037676e-05 -0.0001599636627748062 -2.9566157323361743e-05 -0.0001599636627748062 -8.2481703300631e-05 -2.9617422480721754e-05 -2.9566157323361743e-05 -2.9617422480721754e-05 1.927466048036538e-05" pbc="F F F" Mo 20.90332151 21.19410236 20.96064715 -0.76161830 -4.01941389 -0.64983987 Mo 22.38201197 22.43300593 22.22002482 5.81632253 -6.13470303 11.68800226 S 23.77696427 20.91661558 21.18492720 -1.41266828 1.05451795 -1.21938609 S 25.72586561 23.09368849 22.41158334 -1.87884168 -1.14687842 0.42263970 Mo 21.02103145 23.77761356 21.18220204 -4.49327963 6.67983729 -3.77698982 S 22.39362841 25.73573857 22.48185114 2.30285964 -2.49332748 -0.47789853 Mo 23.77538150 23.70296332 20.92215237 4.72520593 2.95568901 0.26007837 S 25.72083292 25.48974689 22.61696630 -2.33565783 -0.35555825 -0.70765048 S 20.92299150 20.90698366 24.18107110 1.28167128 2.88785792 -2.53656297 Mo 22.32825321 22.63102478 25.47421109 0.28559558 -5.00369515 0.65290277 S 24.26120756 21.01193751 24.25226748 -4.27995359 2.39964297 -1.89599712 S 25.62152404 22.30961347 25.57236142 -0.58075982 1.94603516 1.03300499 Mo 21.20379337 24.23854596 23.65429780 -3.96939330 -1.35313715 1.62398983 Mo 22.28229695 25.52031036 25.67019035 2.21473688 1.62383134 0.01283550 Mo 24.02015752 23.87970777 24.27711528 2.21702428 -2.80361118 -7.79505459 S 25.23936785 25.25213077 25.23125112 0.86875631 3.76291291 3.36592606