64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-8.837512106058018 stress="7.669737498428357e-05 -1.647395334952749e-05 2.9907428186330468e-05 -1.647395334952749e-05 5.572647316025822e-05 2.7370494557715893e-05 2.9907428186330468e-05 2.7370494557715893e-05 6.632691474206636e-05" free_energy=-8.837512106058018 pbc="F F F" H 34.91051063 35.06418477 35.24971651 2.76440158 2.71364772 1.94254637 H 35.82992312 35.96549094 35.89579749 -2.47209579 -2.96065637 -1.78805407 H 37.71287658 37.47718060 35.96392995 -0.01784867 -0.09315022 -0.00664343 H 38.10044089 39.31232836 36.18089834 0.04289482 0.07149887 -0.01243973 H 36.87920787 35.11420787 36.82955361 -0.24809184 0.20579212 -0.22184878 H 38.38620962 36.16577279 38.52790632 -0.01217399 -0.02000767 -0.00263494 H 34.95850895 36.78989273 37.38095895 -0.04452456 0.02497504 0.06756523 H 35.77807595 38.61781654 38.41752839 0.01637151 0.01189619 0.00599754 H 39.47707120 35.01672657 35.63476432 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42.36354409 37.00203356 5.13040990 -3.59255919 -1.36058207 H 37.09486888 43.17806239 38.58819005 0.01180853 -0.00684076 0.08025572 H 40.29785791 40.31841281 34.94751650 4.51430238 2.94635372 4.15951516 H 41.17139371 40.88921942 35.75121598 -4.53031414 -2.96263398 -4.14220039 H 42.36536227 42.63143104 34.91502747 0.14995709 0.08094875 0.07576161 H 43.81112136 43.34312203 35.68661681 -0.14805949 -0.07616331 -0.07154100 H 42.83474052 40.24673192 37.29401663 0.01008245 0.06335424 0.02590265 H 43.77731148 41.62549021 38.79733780 0.00538506 0.00859035 0.01124058 H 40.14075372 42.49199789 37.67737293 0.28358024 0.18033592 0.12562507 H 41.40409864 43.28864520 38.60745855 -0.24795123 -0.13585448 -0.21096145 H 35.79201871 35.09180301 40.05963164 -0.19989994 2.04120116 2.29449015 H 35.69684361 36.11078644 41.20233810 0.11218031 -2.09037528 -2.27971603 H 37.13915959 36.90967986 40.17239282 0.05398030 0.08399033 -0.03956291 H 38.65095341 39.08401109 41.34411349 -3.50410851 2.29452994 2.56957404 H 37.73398713 35.72914059 41.96118804 0.02384277 -0.01858037 -0.00487827 H 38.45240742 36.32905168 43.90226470 0.00075337 -0.00693556 0.03646945 H 35.24364830 37.89090109 42.55800575 2.38029769 1.24193847 2.09070281 H 36.30517182 38.43842517 43.49120044 -2.37525147 -1.23633999 -2.08650031 H 40.34646437 35.45968535 39.94948642 0.00067861 -0.01972357 -0.05599579 H 40.44621450 36.35056343 41.75991580 0.00413778 0.03238009 0.04984782 H 42.63205162 37.59692899 40.02661116 0.00077703 0.00860357 0.00797446 H 44.03617806 38.38753518 40.91400688 -0.01901048 -0.00359462 -0.00669825 H 42.54593016 35.29615237 43.13353531 0.02630141 0.01425278 0.01028728 H 44.11608386 35.82555593 43.91098606 -0.03073022 -0.00739723 -0.01691221 H 39.22947931 38.14650034 42.91666318 -0.00007429 -0.04323163 0.05212304 H 41.04000695 39.09321351 43.39375886 -0.01096896 -0.01491408 0.05045571 H 34.97903055 40.00698922 40.40150263 -0.01775689 -0.07307485 -0.01476847 H 35.63062929 41.77927791 40.90129807 -0.20806092 0.12546014 0.74198898 H 37.37151578 43.08527410 40.37667815 0.00979081 0.01007615 -0.08440489 H 38.75842636 43.30991366 41.54763519 4.99948514 -4.05964822 2.75401736 H 37.63920620 39.73960379 42.11367604 3.47577212 -2.23055271 -2.66306628 H 38.29261045 42.07892945 43.72591791 -0.01879323 -0.01172506 0.01526247 H 35.12086689 41.93455730 42.51865175 0.22999824 -0.08398485 -0.72967327 H 35.96684863 43.60484732 43.93072496 0.00948511 0.00696781 0.00319976 H 40.92787590 39.61475070 40.21536374 -0.01606982 0.02376499 0.07535929 H 41.47025637 40.76725030 41.31538150 3.27067384 -3.42207570 3.38515370 H 42.19345648 42.56192304 40.37485940 -0.01750241 -0.01703119 0.00626477 H 43.59451171 43.54021379 41.54432152 0.02821697 0.01656073 0.02739917 H 42.24859303 39.96763961 42.11643570 -3.26301361 3.41077167 -3.44810994 H 43.95019999 40.38373917 43.42224283 0.01747709 0.00495845 0.01163157 H 39.67953345 42.56317802 42.05658407 -4.98296101 4.05141298 -2.78970942 H 41.11841064 43.72800239 44.08659189 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