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=-13.386545639918207 stress="9.54817263132363e-05 -1.6882711901997166e-05 9.191266304319365e-06 -1.6882711901997166e-05 9.152326516623093e-05 -1.4078934523805157e-05 9.191266304319365e-06 -1.4078934523805157e-05 4.6848865750915e-05" free_energy=-13.386545639918207 pbc="F F F" H 35.10628735 35.10045072 35.01422953 -0.00553928 -0.00183594 -0.00374582 H 36.80505735 36.04792169 36.32252428 0.52413266 -0.75743782 0.53385910 H 37.26654555 37.07536232 34.68306106 -0.06002371 -0.13282093 0.21239189 H 39.09376236 38.30327925 36.15673966 0.00119878 0.00080864 0.00236557 H 37.46978146 34.72660143 37.40850693 -0.45792932 0.88677437 -0.74576954 H 38.51954316 36.20252783 38.78641067 0.01735638 -0.00919219 0.00246408 H 34.88023910 37.28962137 37.37529072 -0.00307695 -0.00749120 -0.00210338 H 35.93443511 39.08736840 38.00522502 -0.00238049 0.00252661 0.00149624 H 39.98900883 35.15800652 35.10400812 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42.53499668 37.31022116 4.40466988 -2.48843166 -3.38859402 H 36.20726710 44.20439057 39.86060877 -0.00494022 0.00435220 -0.00517028 H 40.13046932 40.81156459 35.10709777 0.55259216 0.40299240 0.66940627 H 41.14318643 41.54940878 36.32576362 1.81638428 -1.72810907 1.21721176 H 42.49018187 42.65333962 34.86414575 0.00805148 0.00671345 -0.00606548 H 44.40734552 44.37981149 36.84051372 -0.00404174 -0.00324591 0.00143053 H 42.25321712 40.79687664 36.93634778 -2.64043148 1.78789100 -1.44824376 H 44.24918370 41.28216576 39.45658530 0.00211420 -0.00922684 -0.00532832 H 40.46531894 42.79269245 37.40792570 0.25030773 -0.48428352 -0.42704057 H 42.11177139 43.58465657 38.79718352 0.01027447 0.00023938 0.00552493 H 34.85493401 35.00580438 39.92948379 0.00465055 0.00304729 0.00039241 H 36.67069085 35.96206136 42.47075371 -0.36226000 -1.22009194 1.73735307 H 37.95481547 37.62328710 40.40520798 -0.00783520 0.01156618 0.01235913 H 39.03627031 38.48340751 42.37830734 1.34583657 -1.42261984 0.47436371 H 37.29782826 34.63682156 42.68272024 -1.39482502 3.19446765 -0.69617595 H 38.91564922 36.65366750 43.81239633 1.34575550 0.63636035 -1.09001558 H 35.69597427 37.13293365 42.97109177 1.76782236 -1.96762714 -1.05133904 H 36.58188099 39.29314770 43.95633187 0.51747265 1.04324087 -0.85664425 H 39.36567665 34.95586450 40.28443441 -0.00988980 0.01323722 -0.00921354 H 41.22289850 35.95277990 41.75577171 -0.13593374 0.17441795 0.13114429 H 42.37915958 37.99845962 39.69179065 -1.83615525 1.97049249 -1.16581231 H 44.28093790 39.05714813 41.74736298 -0.00596598 0.00345642 -0.00125033 H 42.76927779 34.65994348 42.53032224 -0.00154941 -0.00207316 -0.00182633 H 44.18645774 35.94452169 44.14504009 0.00061316 0.00339203 0.00105468 H 40.18224913 37.25975694 42.78525204 -2.56082346 0.63406588 0.48663885 H 40.78891706 38.71024851 44.21675824 -0.00295940 -0.00674667 -0.00933562 H 35.20617305 40.05729611 40.53927079 0.00281005 -0.00255624 -0.00109319 H 36.72427341 41.46269835 41.14288615 2.11124271 3.50971646 -1.38727675 H 37.36735299 42.54347990 40.70675865 -2.10294218 -3.53847233 1.42783241 H 39.18858204 43.73672158 41.52385882 1.06759125 -0.65853690 1.21599486 H 37.22796040 40.60239068 42.88740128 -0.14584412 -0.93224388 1.24799312 H 38.47207786 40.91483427 44.30770351 -0.37388456 -0.09260975 -0.43682442 H 34.78782553 43.26618802 42.71773496 -0.00324789 -0.00346226 -0.00969567 H 36.78149429 43.33564974 43.99667849 0.01243635 -0.00547033 -0.00027284 H 39.97653717 40.10251619 39.89187249 0.33593143 -0.16726524 -0.33414688 H 41.97072129 41.46278003 41.67836036 0.28459868 0.38037842 -0.40939798 H 42.81480610 42.58103072 40.50406269 2.35964382 2.39791581 1.31575436 H 43.77820663 43.58630934 40.83158604 -2.65922363 -2.77563598 -0.90446706 H 43.03730082 39.94129751 43.25412391 2.28381809 3.08779909 1.20261203 H 43.89211784 41.09956234 43.70411553 -2.28561650 -3.09227427 -1.20620919 H 40.27469746 43.06020417 42.76811133 -1.06296886 0.65618883 -1.21529260 H 41.99876758 44.16544353 44.35879173 0.00123545 -0.00196562 -0.00179238