32 Lattice="7.814117972828724 0.0 0.0 0.0 7.814117972828724 0.0 0.0 0.0 7.814117972828724" Properties=species:S:1:pos:R:3:forces:R:3 energy=-170.05946816552725 stress="0.00024180232221140542 0.0010591760116323997 0.0007271232382705576 0.0010591760116323997 0.0005770958415279465 -0.0009086015087732904 0.0007271232382705576 -0.0009086015087732904 -0.0017556785902390893" free_energy=-170.05946816552725 pbc="F F F" Mo 0.00939260 0.02826420 0.00652931 0.73897449 0.78863727 0.79595328 Mo 1.98884461 1.97987284 0.02767762 -0.55712995 -0.55149038 -0.84954355 Mo 1.99141513 0.01627936 1.95612919 -0.65660216 -0.69579501 -0.14642124 Mo 0.02816966 1.99150902 1.98409185 -0.70341597 -0.68423180 -0.49256927 Mo 3.90412273 0.01334707 0.01454936 0.56180994 0.42817097 -0.24441843 Mo 5.89545408 2.01571724 0.01079521 -0.75404057 -0.65442048 0.12358815 Mo 5.86147497 0.02347323 1.91823632 -0.14797949 0.03738497 0.13280175 Mo 3.88293766 1.94957800 1.94859313 0.92701337 0.07987544 0.10230023 Mo 0.02658951 3.87953688 0.03710599 0.21015988 0.61955095 -0.20032344 Mo 1.97808592 5.89861814 0.01364021 -0.19913492 -0.51709748 0.07571991 Mo 1.96299929 3.90155068 1.95489171 -0.09701729 0.52594793 -0.11820771 Mo 0.04822044 5.87907520 1.93535486 -0.21005954 -0.22514655 0.14510787 Mo 3.89332089 3.91898060 0.02929668 0.33935994 0.34967613 -0.73227966 Mo 5.82442674 5.89483194 0.02679388 -0.39649705 -0.33108572 0.24493685 Mo 5.86742465 3.93316585 1.92804798 0.40100462 -0.22794900 0.35917649 Mo 3.90355911 5.87907999 1.98982485 -0.05058646 0.63202944 -0.46611509 Mo 0.00656675 0.02001244 3.88210624 0.37055862 0.13163970 0.57246426 Mo 1.93860690 1.96595327 3.89661421 0.36842964 -0.33638914 0.56428615 Mo 1.97972269 0.03026393 5.87416072 -0.41651865 0.22344144 -0.41690457 Mo 0.01181767 1.97583829 5.86870246 -0.12313696 -0.55781376 -0.23227094 Mo 3.92724308 0.00034483 3.92881026 0.24093561 -0.44153957 0.02632076 Mo 5.87972992 1.92822054 3.88691503 0.28472169 0.71760830 0.44473693 Mo 5.89489032 0.00977884 5.87579833 -0.59089833 0.56223519 -0.49839898 Mo 3.93791459 1.97403382 5.87022488 0.14592299 -0.13309906 0.25895499 Mo 0.01858127 3.92325803 3.92880805 -0.87351808 0.21923474 -0.29037208 Mo 1.93594461 5.84531670 3.89186646 0.36726206 0.66455770 0.66056035 Mo 1.91481815 3.87157555 5.87347395 0.57202231 0.60816068 0.51139661 Mo 0.02707417 5.86711702 5.84295268 0.22238085 -0.21053627 -0.11230898 Mo 3.90517129 3.94068111 3.90977349 0.44643112 -0.57452123 0.41328900 Mo 5.82997555 5.84387900 3.89066078 0.16584939 0.11127988 0.42047150 Mo 5.89544646 3.92430514 5.87933987 -0.28370617 -0.33471715 -0.68790257 Mo 3.90448978 5.82998280 5.88748453 -0.30259494 -0.22359812 -0.36402855