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=-13.024791326683923 stress="7.143506105461756e-05 7.807699798914016e-05 6.45925800941338e-05 7.807699798914016e-05 9.904437183455477e-05 4.8486015363075574e-05 6.45925800941338e-05 4.8486015363075574e-05 7.934788726332886e-05" free_energy=-13.024791326683923 pbc="F F F" O 35.18949273 35.23735862 34.59736245 1.63388153 0.45430242 1.47585218 O 36.63688112 35.83824509 35.85112862 -0.45107904 -2.79923274 0.55975990 O 37.79785791 37.81841281 34.94751650 3.80498303 1.78002342 2.93118107 O 38.67139371 38.38921942 35.75121598 -3.97587756 -0.53346962 -5.75884039 O 37.52048984 34.74380690 37.15102920 -1.91956321 1.15643294 -2.38182539 O 39.15565462 35.76927222 38.61230136 2.19765117 -3.03402288 3.55490946 O 35.25156541 38.19719235 36.76240764 -0.14034830 -0.19708779 1.14628736 O 36.49211558 38.88728380 38.45427791 -1.38606862 1.72301180 -1.59091027 O 40.44332522 35.29863537 35.09929664 1.89486196 1.48670247 1.94554375 O 41.51987678 36.24182058 36.30165555 -0.90249721 -3.44322092 -1.37795541 O 42.81743001 37.61944526 34.87647937 1.02315977 2.45745769 1.83034357 O 43.35356296 39.03966064 36.09018430 -0.90204352 -2.42324698 -1.56935693 O 42.42903594 34.78753670 37.55534914 -0.88042133 0.71649015 -1.31699179 O 43.83802914 36.58401109 38.84411349 0.67883912 0.29612402 0.20679055 O 39.84356468 38.09506951 37.35783560 2.18363780 -0.18644105 2.98700405 O 41.28640482 38.69775422 38.66587252 -1.05346866 1.30090520 -3.58221528 O 35.24364830 40.39090109 35.05800575 4.48858230 2.86763264 3.29136303 O 36.30517182 41.01650146 35.99120044 -2.24678530 -1.87741669 -2.44090042 O 37.31872253 42.49880483 35.39927955 0.28131986 0.72837739 1.12194096 O 38.29262288 43.59963249 36.49014761 -1.71733053 -1.58333224 -1.75526516 O 37.45895876 39.89520705 37.15983348 -3.14917977 -0.02168837 1.19749483 O 38.82689313 41.65583517 38.78990350 0.89900983 0.30771795 -0.81253788 O 34.55695144 42.58600215 37.72926921 0.40318211 0.88121519 0.65529133 O 36.05628321 43.92614886 38.67293429 -1.15498148 -0.25482385 -0.75545081 O 39.24912877 40.19919299 34.94635628 0.01608513 -0.72063585 -0.61015206 O 41.47405928 41.36196296 36.15208399 1.00669125 -1.17632180 1.15827600 O 42.87458466 41.75427649 35.45906900 -2.37275365 0.34769114 0.81721214 O 43.45308757 43.72983505 36.78296064 0.29446967 0.52518357 0.08312931 O 41.96846947 40.10179455 37.51227964 0.05989017 -0.94451616 -0.53683462 O 43.58715232 41.10728663 39.04763519 0.67593674 -0.03732807 -0.03377463 O 40.13920620 42.23960379 37.11367604 1.10171556 0.07018173 -0.31442385 O 41.41262059 44.11494048 39.53250730 0.02833145 -0.97806780 0.46468170 O 34.59901089 34.99666566 39.87914847 -0.21962774 -0.29419021 -0.26277039 O 35.95214372 36.48093396 41.24942435 -2.28274064 1.75742887 1.43441393 O 37.96366766 37.14764578 40.29368674 0.60942832 2.69387916 1.69962762 O 38.62384798 38.51818125 41.31538150 -1.04697888 1.01621021 -1.68448268 O 37.29482210 35.46509896 42.96134477 2.23565864 0.03418135 1.35638549 O 39.08921016 35.99255444 43.85374949 -2.51050445 -1.18486062 -0.39940066 O 34.74859303 37.46763961 42.11643570 1.62635743 -1.83212732 -1.60229969 O 36.83738458 38.31574899 43.79207516 -0.08591255 1.17676001 -0.04610683 O 39.67953345 35.06317802 39.55658407 -1.89878838 1.87409459 -3.76744972 O 40.77745244 36.08117530 41.46948410 0.78864779 -0.30014408 0.10604264 O 42.88826415 37.67728387 40.49566835 0.17415563 8.27653104 6.70828805 O 42.98915890 38.87884593 41.38629877 2.78855259 -8.61158477 -6.82151671 O 42.66434550 35.03316515 42.57116685 2.44525348 1.33429362 2.02014792 O 43.90426191 36.04873889 43.65146566 -1.97250900 -1.80061452 -1.73291877 O 40.51916806 37.54781434 42.72185425 4.39647211 6.72625836 6.01865239 O 41.26239893 38.41958417 43.43419375 -5.04507189 -7.10567061 -4.47424964 O 34.97689643 39.55049575 39.55572547 1.48961559 -0.74562408 -1.73634333 O 36.50126359 40.85683667 41.19242952 1.02705892 -0.75509807 1.40029309 O 37.23512663 42.67100236 40.69064278 1.53111494 1.08746342 1.21423055 O 38.51412584 43.96975669 41.21399076 -2.04105377 -1.55878900 -0.62375656 O 37.21764102 39.71805543 42.33255264 0.52848055 -0.35575694 -1.64301511 O 39.05678639 41.35182066 43.31066278 2.40083143 2.16606492 -0.63786688 O 34.84591051 42.58017368 42.42255128 0.03060472 0.93919952 1.22686763 O 35.99111067 43.69081214 43.94207782 -0.67084429 -0.55713931 -0.72391451 O 39.69489142 39.63839627 40.52823238 -1.33299376 -1.44557665 1.31418637 O 41.19208948 40.82060998 41.64077222 0.45297806 3.39273053 1.00324003 O 42.10944294 42.36485401 40.48350241 1.08989989 2.55032503 -0.63692189 O 43.53682656 43.75435811 40.63240923 -1.14873443 -1.58251405 0.30355426 O 42.56943278 40.21308008 42.46745909 -1.52305783 0.51835949 0.19235471 O 43.63351968 40.80762237 43.86521157 -0.80192045 -0.22547046 -1.14321156 O 40.45798776 42.33981730 42.42677157 -1.41332853 -3.77729270 1.69133448 O 41.10957735 43.76153750 43.98110319 -0.04087377 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