32 Lattice="7.95902570046234 0.0 0.0 0.0 7.95902570046234 0.0 0.0 0.0 7.95902570046234" Properties=species:S:1:pos:R:3:forces:R:3 energy=-192.78873846066864 stress="-0.015948725417155172 -0.0012970909531769008 0.0022050777461677866 -0.0012970909531769008 -0.01661518105605566 0.00019368175312135685 0.0022050777461677866 0.00019368175312135685 -0.020270656812648738" free_energy=-192.78873846066864 pbc="F F F" Nb 0.03843161 0.03908489 0.03443604 -0.24482845 0.32044182 -0.26910027 Nb 2.00486516 2.02532128 0.03084984 -0.30534263 -0.02168383 -1.38577990 Nb 1.95716242 0.02061995 1.95173472 0.35754080 -1.11881484 1.08203362 Nb 0.01001747 2.03622282 1.97430247 -1.34405499 -0.68817311 0.54243670 Nb 3.94262715 0.03420624 0.03790366 0.38867585 -0.23269440 -0.38779103 Nb 5.97073498 1.99097911 0.03846288 -0.21457070 0.43879236 -0.58329541 Nb 5.99497127 0.05041475 1.96335454 -0.09964644 -0.43528899 0.66510497 Nb 3.95524575 1.97568555 2.02049994 0.41250640 0.54503299 -0.37104549 Nb 0.00288139 3.99417478 0.02964662 0.02116234 0.00531713 -0.48132893 Nb 1.98446425 6.00549936 0.03258223 0.38564256 -0.24183982 -0.37772615 Nb 1.95650679 3.96409431 2.02714074 0.67648883 0.30338830 -0.44954101 Nb 0.02824974 5.98654246 1.95463892 -0.52861301 0.11850058 0.69543739 Nb 3.94749932 3.98042594 0.03922301 0.42880098 0.21976920 -0.99765116 Nb 5.95688528 5.97030351 0.03729718 -0.60106052 -0.65495060 0.54336463 Nb 5.96801181 3.94954333 1.99167274 0.78365577 0.65538387 0.20148910 Nb 3.95489410 5.95644639 1.99408163 0.39023455 0.90717355 0.39338093 Nb 0.04340913 0.00370927 3.99778918 -0.27892788 0.06793982 -0.39465407 Nb 2.02067567 1.96024013 4.01912050 -0.78327860 0.68136757 -0.35690980 Nb 2.01732945 0.00144766 5.94972530 0.04647090 -0.38897438 0.48020433 Nb 0.00975058 1.97741261 5.99029443 0.17372710 0.24927035 -0.16178379 Nb 3.96576172 0.03159783 3.94150098 0.76050165 -1.54190071 0.50420787 Nb 5.99874644 2.01185641 3.98172415 0.68034029 -0.20452001 0.28496740 Nb 6.00605324 0.00957040 5.94740426 -0.89643595 0.72238662 -0.74749282 Nb 3.96145782 1.98328740 5.98796711 0.99574117 -0.10672839 0.92382338 Nb 0.01603749 3.97362837 3.97868700 -1.28518097 -0.19476405 0.46863704 Nb 1.95677738 5.92954415 3.96132547 0.53488572 1.32577453 0.60124592 Nb 2.02462286 3.95527643 6.00080014 -0.43652196 0.53281346 0.73598094 Nb 0.00021345 5.96121753 5.95340727 0.63610480 -0.68422215 -0.45198469 Nb 3.97358771 3.96580806 3.98371198 0.42470110 0.40537078 0.27946326 Nb 6.00712450 6.00615790 3.99866915 -0.36604042 -0.48252974 -0.35608256 Nb 6.00322952 3.99996620 5.98130038 -0.32281089 -0.24519152 -0.31404484 Nb 4.01974412 5.97897538 5.97362319 -0.38986736 -0.25644639 -0.31556558