32 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=-12.567902500288904 stress="-0.004870423732735968 -0.0002751784018677563 0.00036275415080892797 -0.0002751784018677563 -0.003909190393637059 9.014854132167293e-07 0.00036275415080892797 9.014854132167293e-07 -0.004352813403462847" free_energy=-12.567902500288904 pbc="F F F" C 20.88909689 21.13714415 21.07420351 -7.62163796 0.44721546 -3.83554629 C 22.61543713 22.06703166 20.83833517 -2.78049837 10.24706346 -15.93531867 C 22.28829595 20.83509776 22.34219889 -1.36772650 -9.31721550 15.37844325 C 20.77812781 22.81753711 22.10125423 -8.39344513 -4.33299645 1.21039343 C 23.75769592 20.95894820 21.06396050 10.85271654 -7.37615151 -2.79755605 C 25.56504129 22.26701478 20.86550211 4.55136953 -4.56115250 -5.69703725 C 25.28802619 21.22277084 22.68584377 -8.56913208 0.38495584 13.86312827 C 24.18362810 22.69581920 22.39330646 -3.24064519 -18.92546911 3.32352938 C 21.26959405 24.17626233 20.85402479 -7.33814522 -5.16372002 -15.33826975 C 22.69189772 25.49207130 21.15300231 5.62835157 16.55040815 -14.27858478 C 22.53848316 23.95774659 22.41852158 -14.41364110 -22.68396306 -3.18655757 C 20.95789336 25.38825682 22.27041603 -16.62443727 14.10166018 7.71979844 C 24.19178619 24.17895518 21.29140871 -8.00965832 7.17836609 -30.98451419 C 25.61455359 25.53253581 21.14904689 8.48642881 6.57637366 -4.75111733 C 25.28091226 24.10609294 22.38605862 38.82733608 -5.07799686 8.05031400 C 23.80598025 25.32157598 22.71431801 -2.35056406 30.02971430 1.01254184 C 20.85198705 20.97567541 24.06329927 -10.92543068 -6.98260839 -7.24579410 C 22.43745442 22.27846858 23.99451428 8.13375574 5.08957570 -5.57260512 C 22.34126820 20.84140700 25.31668137 6.04719358 -9.63100403 8.80983722 C 20.91986395 22.24396547 25.59073906 -5.97220427 7.09445911 9.41913192 C 24.27219963 20.93381326 24.13132919 -11.80352991 -25.64490843 -12.14313424 C 25.75978669 22.22592512 23.78504734 31.94235520 19.87598853 -6.14619796 C 25.38708675 21.10373889 25.58136878 -0.81838421 -2.48620673 6.06629830 C 24.07772642 22.45810646 25.70547830 0.17338924 7.57845310 8.01535419 C 21.33341666 24.18190327 23.82183498 -1.07728642 -12.78853946 -7.68237715 C 22.71219253 25.42485375 24.12990665 7.79513662 16.12643634 -3.69415493 C 22.16013815 24.28278197 25.56210000 -7.09165012 -2.23609457 -2.12707857 C 21.13362859 25.32702941 25.57034430 -18.34155896 10.62656663 28.74720689 C 23.76756859 24.05473499 23.91561068 -2.86911651 -30.08106011 12.49570975 C 25.63661615 25.40480033 23.87802106 10.93875144 7.82720154 -2.67382650 C 25.29869006 24.11041876 25.26735611 4.40221094 -4.65707550 1.29640915 C 23.83533445 25.24148635 25.58611608 1.82969700 12.21172415 18.68157444