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=59.03390098597506 stress="-0.0002221845597127755 5.68651787944378e-05 9.550028367492073e-05 5.68651787944378e-05 -2.6624175121018453e-05 0.00012128038017253461 9.550028367492073e-05 0.00012128038017253461 -0.00015983219131797413" free_energy=59.03390098597506 pbc="F F F" N 35.22274362 35.30026631 35.10115337 3.87314603 1.96216350 3.44668513 N 36.45440692 35.92423500 36.19720647 -5.07393660 -3.75480027 -4.83316598 N 37.36729112 37.61370303 34.74469792 0.97994489 2.43005128 -0.42281677 N 38.30268563 38.46734845 36.30397972 -1.72189281 -0.21163059 -4.04568841 N 37.90674937 35.15892839 37.71562791 3.38778988 6.74257981 7.64810078 N 38.28905757 36.40199409 38.41068129 -0.17918390 -8.03257785 -8.92901940 N 34.92821401 37.96522721 37.25439459 -1.85444272 0.11588595 -0.99921131 N 36.94898124 38.46963622 38.16483928 2.24994227 1.71128023 8.57586132 N 39.46806086 35.06062006 34.60433959 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42.34018430 37.78684215 0.36976644 2.41826587 0.11343469 N 36.41135123 43.80534914 38.74628230 0.23303965 -4.45656283 2.07896709 N 40.33401109 40.09411349 35.50882922 5.79224914 6.66694593 3.55069887 N 41.18848004 41.19046025 36.36025464 -4.95509517 -6.93197915 -5.73198477 N 42.75032572 42.72251000 34.81796375 1.82922214 1.53490824 -0.41446107 N 44.14090109 43.59320165 36.30517182 -0.51652013 0.68555724 -1.54995917 N 42.50048139 39.65857579 37.43450067 1.98766986 0.47145625 0.86370128 N 43.74880483 41.34670805 37.98598540 1.32468894 -1.69689507 -1.20996804 N 39.84963249 42.74014761 37.45895876 -5.16153593 6.15105103 -6.88376167 N 41.59838244 43.40983348 39.02109014 8.87948834 -6.43857610 7.40353040 N 35.00932276 34.95176761 39.10377605 -0.62011763 -1.37827381 0.03096917 N 36.15284988 36.55281345 41.48515741 -6.39967261 6.86126234 6.88470470 N 37.36979805 37.89752299 39.53900512 -3.80056954 5.03945429 -7.39969395 N 38.94919299 38.69635628 41.47405928 4.77918338 -9.57043181 7.36466636 N 37.58432072 35.08523626 42.87458466 1.88158206 0.53222077 2.78886858 N 38.38213332 36.70906900 43.33604388 1.37581140 -2.78438840 -1.76666449 N 35.46914856 37.58683335 42.44774168 3.93632609 -6.60498592 -5.76153255 N 36.61224771 38.76227964 43.75842636 -1.89930995 -0.05472943 1.94819436 N 39.55991366 34.86876099 40.13920620 2.55465367 -0.38084954 2.31509512 N 40.98960379 35.86367604 41.17006226 -1.96113723 -3.00652805 -2.93995495 N 42.93518579 37.87054360 39.96545013 4.00851649 6.81080508 5.52342135 N 43.28578513 39.07894161 40.95214372 -2.84044541 -4.70038157 -3.80224210 N 42.73093396 34.99942435 42.96366766 2.44142089 1.69970215 2.83856239 N 43.50979958 36.54368674 43.97025637 -0.85527610 -3.02817852 -1.18007860 N 39.51725030 37.56538150 42.29482210 -7.19780042 6.92262020 -3.82543821 N 41.44533077 39.21134477 43.91611730 0.86147640 1.53584802 0.31867694 N 34.99400789 39.81387314 39.74859303 -0.91229054 0.09360886 1.35388732 N 35.83978278 40.86643570 41.58765059 -2.95254462 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44.05678639 -0.23993274 1.27930878 1.33229145