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=-1.1972594703279356 stress="-0.0006589569360635001 -0.00013259477880012884 7.065609032758705e-05 -0.00013259477880012884 -0.0007131974468564772 -0.00023278459989013408 7.065609032758705e-05 -0.00023278459989013408 -0.0005977956281028363" free_energy=-1.1972594703279356 pbc="F F F" Ga 35.21487595 35.66010973 35.02527520 -1.93416002 -1.02115927 -3.05230995 Ga 36.46308230 36.09045034 36.53578408 0.25998651 1.40489313 1.72551677 Ga 37.72287662 37.00906590 34.85064343 0.08134758 1.13124730 -1.30989017 Ga 38.25322677 38.78238171 36.74028470 1.17101434 -12.86350137 -6.63394813 Ga 37.84013519 35.03091681 37.69877461 -1.18529521 -3.98754151 -0.12646227 Ga 39.19419710 36.10048622 38.87894282 -4.58037233 -2.34703264 6.57450851 Ga 35.37628871 37.82905810 37.65607387 -0.54765778 0.43366450 -0.91519558 Ga 36.70590173 38.80456606 39.31572104 -5.25557529 9.72777972 -6.49537727 Ga 39.81339034 35.69391355 34.65999668 -1.44768686 -1.23706905 -2.88975931 Ga 40.93522116 36.09731454 36.38514289 1.98900617 -3.35373073 -5.86623824 Ga 42.98532094 37.17818715 35.26981643 -3.00216854 -6.19348656 -5.05226955 Ga 43.65941661 38.33068643 36.23690878 5.10013082 3.42367592 5.27376470 Ga 42.51711047 34.92366716 37.24826920 2.04047065 -1.02374977 1.02989983 Ga 43.30181361 36.57025101 39.02862907 4.83934680 -3.34778540 -6.54635170 Ga 40.24993016 37.09152891 37.77539362 -3.02568040 2.96330664 -1.72030529 Ga 41.05484995 38.54743610 38.42591139 8.04058385 4.08607461 -0.38909959 Ga 35.30601395 40.21531894 34.91769245 -1.73770336 -3.78608639 -2.84673705 Ga 36.03292570 41.77129781 35.96177767 3.61762895 -4.95492438 -3.95768242 Ga 37.62602129 42.35595873 34.81128283 1.71156094 -6.05752051 -7.28578916 Ga 38.32682506 43.68794604 35.41991179 3.37299129 7.25345123 3.29754584 Ga 37.99685027 40.12455400 37.37063796 -3.77140253 6.68908623 3.16402513 Ga 38.74303602 41.80753946 38.29590751 -3.11551220 -2.38806845 8.17696213 Ga 35.39525894 42.54506684 37.13682156 -6.26932663 7.06511100 10.88816469 Ga 36.28770757 43.83377293 39.50257095 -2.45718145 1.42040528 -0.37272003 Ga 39.83015781 40.61060533 35.15213193 -2.22239257 -1.82049948 -1.81944963 Ga 41.44635499 41.51938099 36.60564770 -1.18804935 1.48234897 7.65095863 Ga 42.26883187 42.01530835 35.42032358 6.52875369 2.81961928 -12.33637434 Ga 43.58394397 43.71219096 36.37375629 0.60803647 0.55136557 1.23987459 Ga 42.34783946 39.92857288 36.95426739 3.10603219 -5.26219262 0.61532358 Ga 43.50662275 41.07845499 38.59897734 0.34167814 0.73042623 3.00604652 Ga 39.69289684 42.14796191 37.15994348 0.17493263 4.70222450 -11.37255655 Ga 40.51970964 43.67732094 38.30670149 1.40642866 3.04160443 4.27121719 Ga 34.99237537 34.93224913 39.62318784 -2.48690865 -2.27531130 -3.47583813 Ga 35.98850391 35.95835245 40.90417992 0.39605450 4.12486491 2.96960883 Ga 37.47811718 37.79968003 40.24353841 4.02923415 -11.17583351 3.03119364 Ga 38.64377634 38.73736011 41.58736426 -0.24096196 2.34304447 1.64397033 Ga 37.08038615 34.74235299 42.16847990 2.63130339 -1.59240870 2.23237415 Ga 39.20675865 36.50108204 43.29922158 -2.48276683 -2.83936531 2.56519693 Ga 34.54626349 37.10296040 43.11737359 0.92749228 0.38899662 -1.07656819 Ga 36.53307207 39.19430634 43.63926074 -2.68862044 -1.51681897 3.02066668 Ga 40.26522083 34.54339417 40.29435319 -0.97013756 -4.48614893 -0.48101445 Ga 40.77688392 36.72212270 40.87003964 -1.45883046 -13.63817563 -7.66615322 Ga 42.27293335 37.42458714 40.27479808 5.23903158 6.27419904 1.57370687 Ga 43.44067933 39.15822129 41.15028003 1.68861976 2.60981271 -3.53164882 Ga 42.11656600 34.95137520 41.72409533 2.61167097 -1.56523424 1.17078163 Ga 43.58351947 36.04976617 43.54995472 -1.22400501 1.61022808 -0.42400042 Ga 40.11724642 37.66230082 41.77353516 -2.07881886 9.05102782 7.74799242 Ga 41.62912391 38.45461784 43.28706234 -4.54677384 -12.27033590 4.82786936 Ga 34.76104690 40.19316908 40.50105520 -4.35329688 -3.63362165 -2.42386094 Ga 36.13998292 41.26938229 41.25453629 2.65907741 7.23270461 -8.83244245 Ga 37.90177194 42.45333875 39.79427315 -4.60266108 -1.49268356 6.83652749 Ga 38.73961088 43.87882103 40.83137826 3.41860344 3.07715449 2.17280753 Ga 37.53469850 40.18948077 42.01331553 0.86854797 1.46212030 -0.42472233 Ga 38.96092282 41.23918040 43.42717606 -4.81265884 -2.94115335 5.85427329 Ga 35.22355317 41.60509252 42.70181805 -5.17442760 -0.45360932 7.36206233 Ga 36.31013070 43.45352564 43.68142445 1.02658456 0.70157430 0.38356608 Ga 39.91452591 39.54167641 39.47449062 -6.14454546 2.74971780 3.29222914 Ga 41.05974557 41.27594550 40.44579804 -2.09902009 -5.87921558 -0.36147384 Ga 42.15520039 42.82416640 40.47300258 -8.64625656 0.88587889 -4.45405796 Ga 43.42760347 43.31669546 40.91888433 12.60208508 4.73299518 5.04404261 Ga 42.47597691 39.69409626 43.01366031 3.53797611 7.75825077 0.40442080 Ga 43.22535681 41.46715574 43.12367245 2.09726992 7.95741754 -0.18448719 Ga 40.28064440 42.06459044 42.59515911 3.92951068 0.93190676 -4.65535860 Ga 41.13768723 43.77029023 43.24326279 3.69786315 2.58608522 -0.06695543