32 Lattice="59.271236419677734 0.0 0.0 0.0 59.271236419677734 0.0 0.0 0.0 59.271236419677734" Properties=species:S:1:pos:R:3:forces:R:3 energy=-119.19356392853817 stress="0.0003314873187248111 1.3561530725996541e-05 -1.0320590773880468e-05 1.3561530725996541e-05 0.0003487411286170808 8.731431149923589e-06 -1.0320590773880468e-05 8.731431149923589e-06 0.00029797427115161424" free_energy=-119.19356392853817 pbc="F F F" U 29.62272937 29.72036921 29.53389625 1.97587524 2.20746974 1.67498614 U 31.50393205 31.75313643 29.84081902 0.25025095 0.17462069 -1.13269539 U 31.87163476 29.51477565 31.72835246 0.79837353 -0.26682235 -0.43165231 U 29.95259100 31.60681454 31.79645403 -0.94165227 -0.07119456 0.17874341 U 33.54889630 29.50774730 29.52929517 -0.60728889 1.90837188 0.92589057 U 35.83803153 31.67785775 29.40467171 -2.41235703 1.72793831 1.55619932 U 35.93492510 29.42899671 31.88152127 -2.06864038 2.05777633 1.40865994 U 33.68381484 31.38400788 31.80535000 0.58926727 0.69388847 -0.43879538 U 29.48083262 33.85964516 29.66293249 1.89547131 -0.37739552 1.35043400 U 31.66888120 35.88082563 29.60309882 0.50891546 -2.10773382 2.20832473 U 31.57094231 34.05106039 31.77704315 2.22240154 -0.97113560 0.05612039 U 29.79737017 35.71889611 31.82916935 -0.22187419 0.72670617 -0.87485499 U 33.81344956 33.63596530 29.44975510 0.76634432 -1.43415617 1.14277693 U 35.91662081 35.95704276 29.82383955 -2.84701006 -2.03011827 3.02364106 U 36.23103444 33.64106570 31.76997429 -1.09797399 -0.58687371 -0.62479390 U 33.86072035 36.13794286 31.66380509 0.44212558 -1.10408981 -1.12668325 U 29.83206702 29.61639206 33.68209587 0.81279611 0.32798982 -0.35685021 U 31.50491752 31.62650892 34.05330539 1.10054388 0.12727712 -0.16688513 U 31.82394507 29.62508013 35.92193408 0.97583391 1.28573850 -1.43691249 U 29.55810459 31.90334066 35.84298550 0.13424065 0.42798785 -0.51895667 U 33.97846527 29.84983245 34.07897470 0.74991703 -0.29062188 0.13551025 U 35.99605575 31.96267098 33.72027125 -0.71515292 1.00725216 0.13125086 U 36.02274533 29.69591939 36.15593564 -2.49432826 2.21989585 -1.63536111 U 34.06806625 31.54066969 36.00571279 1.01572321 -0.12785551 -0.26578091 U 29.65254351 34.02548915 33.90442000 -0.22897289 0.36553857 0.28316160 U 31.49915746 36.21703723 33.76820394 0.08753790 -0.97687525 -0.04173689 U 31.48367573 33.64532056 35.75131076 0.83232105 1.02171842 0.75037096 U 29.74908556 35.78968499 36.09417631 1.80987737 -1.66431587 -1.85168035 U 34.05244902 34.11909174 34.02380966 0.36139101 0.94574241 0.51840013 U 35.94828235 36.04717397 34.02391128 -1.77221504 -2.54375010 -0.44636454 U 36.09411782 33.76449345 36.11711121 -1.69089186 -0.92605073 -2.09427343 U 33.67398500 35.89033783 36.23417828 -0.23084952 -1.74692315 -1.90019335