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=-0.04082647883484017 stress="-0.00018590603088291803 -6.0465921327212166e-05 4.2176629116169726e-05 -6.0465921327212166e-05 -0.0001850254673363279 -0.00021103809469101304 4.2176629116169726e-05 -0.00021103809469101304 -0.00021000144070472114" free_energy=-0.04082647883484017 pbc="F F F" O 35.23323543 34.97712004 35.51912105 1.07740639 0.60223166 0.39031735 H 36.96449159 35.74259719 36.22854685 -0.16273112 -1.87250877 0.89490359 Zn 38.42240985 37.80302779 34.64261637 -0.07949687 1.19085240 1.81679749 O 38.79140629 38.77221452 36.87739456 2.15918283 -2.23902855 -2.54947100 H 37.59061437 34.71465788 37.26520846 -0.82269001 1.30579626 -1.29044948 H 39.24308466 36.51833227 38.98014403 -0.12677097 0.14008269 -0.15723450 Zn 35.45847834 37.54382362 37.84340739 -6.52607711 -8.28162867 -5.90256175 H 36.34074058 38.54912244 38.66461776 7.47246190 7.93278838 7.23311245 Zn 40.09741348 34.87708585 35.33097000 -5.88995356 -8.88059054 -5.02582626 H 40.88905729 36.08156353 36.01110187 5.63953797 8.57994528 5.25207479 Zn 42.15736209 37.99338490 35.10294310 -13.44783138 -4.49394917 -13.17191574 Zn 43.37352894 38.45671136 36.26127656 12.41343953 5.62282638 14.22437189 O 42.70227313 34.64971289 37.29150889 0.34973437 1.53653522 0.97643228 Zn 43.42159956 36.71746451 38.72792599 16.00049095 -16.91504596 -27.58986148 H 40.24744415 37.65018656 37.21653006 -1.61824929 1.54158697 0.03402718 H 40.94090746 38.63042446 38.46334762 -0.02376665 0.72502351 -1.01220399 Zn 35.79028519 39.14417544 35.18032050 0.83713023 0.66240237 1.18503252 O 36.13811295 41.42388105 36.58089352 13.99382679 -10.22059487 -5.03694395 O 37.68952635 42.32430869 34.90264827 1.16444494 0.57915314 -0.13448387 O 38.70592093 43.64502035 36.34952821 -0.86570546 -0.06274346 -1.00221207 O 37.55549349 40.77676003 37.41179812 -2.79928388 1.37183690 -0.36819418 H 38.90625325 41.78260180 38.43791571 0.67704641 -0.13055735 -1.37300238 Zn 35.03547500 42.07814188 37.06762850 -12.73591989 5.83995502 4.80189622 Zn 35.96534422 43.87028839 38.23032269 0.97742192 1.76893252 1.06883139 Zn 39.76407044 40.15438552 34.86932296 -1.69600373 -1.53807037 0.18892037 Zn 41.26966671 41.48537509 36.26384861 -4.53599419 -13.21851308 5.13315165 H 42.15589419 42.04751171 35.27359896 12.22530966 7.65369546 -13.69298285 H 43.83687801 43.19722955 35.82255755 0.08713436 0.04858678 -0.03641763 O 42.12309096 39.89260997 37.28218746 2.52650495 -0.26546936 -0.21050624 Zn 43.28433355 41.43947815 38.28902157 -2.32200224 -0.31668654 1.06336097 O 40.49598000 42.09506017 37.28778847 -8.23063523 6.15702288 10.98007705 O 41.15658593 43.66586587 38.84774074 1.53618910 -1.46251612 1.46989166 H 35.11703154 35.39404156 40.79104117 0.08967207 0.11696191 -0.04466772 H 36.49267292 36.34870925 41.37281741 0.20296516 4.29226684 -6.16347293 O 36.70705094 37.06547199 40.19856998 -1.85634804 -3.12530399 4.24611695 H 39.08034999 38.75679172 40.69962801 0.97653899 5.31119051 -2.03759846 Zn 38.05266166 34.89795580 42.13574011 0.85715098 -0.85189054 -0.50278611 H 39.19653660 36.20151418 43.58481404 -5.96639622 -5.35239865 7.27777853 H 35.04121032 37.83607221 42.82282350 0.38171606 0.42815549 0.08985269 H 36.14609347 39.07631450 43.06769990 3.77978389 4.13083438 -0.27428224 Zn 40.36844300 34.88545704 40.84314512 -3.49679908 -10.52685252 2.53099172 H 40.86398123 36.38820215 40.60960360 2.90647923 9.91999921 -2.37555070 Zn 42.68225973 37.42932084 39.89606583 -16.00457355 15.25031694 24.64926984 H 43.61399953 38.66769673 41.37607309 0.71856079 1.10126307 1.30384562 Zn 43.00640774 34.61260167 42.84800794 -0.48499340 -8.80210410 -6.92138436 O 43.04791847 35.78820319 43.75099946 0.09024263 8.87579024 6.57209527 Zn 40.15768672 37.07192848 42.61327397 0.38718399 -6.58951032 -14.58174026 Zn 40.77332807 38.43402526 43.62694304 6.61360603 13.66235184 7.62465779 H 35.16541081 40.41619835 40.34750356 -12.35130903 -10.29480759 -9.34075282 Zn 36.13522179 41.23093745 41.08040757 14.82890403 6.94601933 9.76273269 H 38.22020178 42.76025938 40.62190317 5.05070966 5.10970238 1.91678049 O 39.08216632 43.71936985 40.98708303 -5.19709179 -4.61930536 -1.67578566 O 37.12260861 40.17664524 43.00373381 -5.62077602 -4.39056497 -1.80512989 O 39.11822137 41.53669928 44.00132929 2.14393334 1.75410246 -1.26832990 Zn 34.89309497 42.85301334 42.05194002 -1.95081515 1.97790816 0.78457174 O 36.04606605 43.15075848 43.50813516 0.10415722 0.55749776 0.63200764 O 39.39607759 40.16981577 40.18794928 -1.59897227 -5.56504259 1.43718217 O 41.04274933 41.65114806 41.59114928 1.00118367 0.24205766 1.37283846 O 42.11886334 42.66394859 40.24742287 0.27744761 0.98514887 -0.33512759 O 43.35241377 43.82348767 41.39432126 -1.03872014 -1.20196080 -1.10139246 O 42.02984485 40.02968984 42.56902542 0.14533325 0.59199365 1.64725269 Zn 43.67754446 41.42072593 43.62821997 -1.60569459 -1.33703437 -1.29402444 H 40.10666532 42.39435253 42.85819831 -0.54856782 -2.14434895 -0.21139799 H 41.66465135 43.30826969 43.51624955 -0.08866223 0.18621303 -0.07348223