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=9.42543676586091 stress="-0.00026583456560921577 -2.83514280168753e-06 5.8781424429092205e-08 -2.83514280168753e-06 -0.00024965256576451537 -8.275853848652772e-06 5.8781424429092205e-08 -8.275853848652772e-06 -0.0002653352138421515" free_energy=9.42543676586091 pbc="F F F" H 20.85540510 21.11115480 21.11044915 -0.26701418 -0.60578513 -0.51185876 H 22.74329349 22.31143450 20.83833517 -0.17809654 0.28436012 -0.52121694 H 22.28829595 20.83509776 22.66640352 0.17169215 -0.47451129 -0.06158997 H 20.77812781 22.51878885 22.05164101 -0.44621839 0.35393708 0.32963229 H 23.84054841 20.95894820 21.20259391 0.07624081 -0.73828226 -0.31631139 H 25.56504129 22.11449487 20.86550211 0.43668121 0.09302127 -0.49498272 H 25.28802619 21.22277084 22.68584377 0.40254331 -0.93174035 -0.56599001 H 24.18362810 22.69581920 22.40244725 -0.40524336 -0.36225920 0.12302475 H 21.26959405 24.17626233 20.85402479 -0.35061123 -0.52578439 -0.78754484 H 22.41174813 25.49207130 21.15300231 0.44786594 0.72976220 -0.69156645 H 22.53848316 23.95774659 22.71726984 -0.11255978 -0.54434570 -0.32854742 H 20.95789336 25.38825682 22.04332575 -0.83815041 0.64688653 0.47390494 H 24.19178619 24.17895518 21.29140871 -0.30038629 -0.16096392 -1.36725735 H 25.61455359 25.53253581 21.14904689 0.38920106 0.47095272 -0.31227377 H 25.28091226 24.10609294 22.46603997 1.25146275 -0.04065766 0.30085833 H 23.68688212 25.32157598 22.51361598 0.18613597 1.13962423 0.07451983 H 20.85198705 20.97567541 24.06329927 -0.73789543 -0.42570746 -0.19632490 H 22.29882101 22.27846858 24.05286963 0.18950396 0.31163005 -0.22441044 H 22.34126820 20.84140700 25.31668137 0.16832984 -0.73845504 0.48895413 H 20.91986395 22.24396547 25.59073906 -0.47153046 0.30285115 0.49873429 H 24.27219963 20.93381326 24.13132919 -0.35707313 -0.52870867 0.19385182 H 25.75978669 22.22592512 23.78504734 0.77116869 0.63414188 0.51652432 H 25.68365717 21.20288723 25.58343331 0.25793988 -0.13671317 0.42551550 H 23.54231040 22.43002885 25.72094491 0.26023398 0.12083694 0.45946313 H 21.23171545 24.18190327 23.74185363 -0.94224350 -0.12022095 0.19257812 H 22.71219253 25.42485375 24.12990665 -0.18080386 0.98179964 -0.15362617 H 22.28220450 24.28278197 25.56210000 0.20316504 -0.81678865 0.61192487 H 21.13362859 25.32702941 25.57034430 -0.89408309 0.73247736 0.33999628 H 24.04852473 24.05473499 23.91561068 -0.03378581 -0.48029104 0.29309326 H 25.63661615 25.40480033 24.07789707 0.48875196 0.69743990 -0.16297734 H 25.29869006 24.11041876 25.26735611 0.56647547 -0.47014765 0.65242946 H 23.83533445 25.24148635 25.58611608 0.24830345 0.60164147 0.72147315