108 Lattice="15.560415230364915 0.0 0.0 0.0 15.560415230364915 0.0 0.0 0.0 15.560415230364915" Properties=species:S:1:pos:R:3:forces:R:3 energy=-101.59965771099262 stress="-0.00039969946402633596 -3.026421629342552e-05 6.961592041190167e-05 -3.026421629342552e-05 -0.0004019870826231687 2.035866074039924e-06 6.961592041190167e-05 2.035866074039924e-06 -0.0004175639467969866" free_energy=-101.59965771099262 pbc="F F F" Na 0.03895147 0.02380818 0.02023819 0.05034544 0.04820425 0.05760273 Na 2.59800896 2.59130702 0.03548598 0.02236393 0.01468196 -0.08852309 Na 2.65485184 0.02657530 2.58633173 -0.02191836 -0.08219327 0.02260960 Na 0.03147247 2.66262574 2.55741113 -0.08467972 -0.02489955 0.02282842 Na 5.21272737 0.01575542 0.00337584 -0.01749803 -0.01023883 -0.02338849 Na 7.75941268 2.60032005 0.00912341 0.01213064 0.03269130 -0.06300602 Na 7.74767861 0.04045372 2.56015449 0.01945917 -0.08398329 0.03721508 Na 5.15352180 2.54953533 2.59616294 0.03796968 0.07384436 0.02703997 Na 10.41777286 0.00422673 0.01119774 -0.04556210 0.01958063 0.02384449 Na 12.98681306 2.55601794 0.01999582 -0.03243686 0.04429975 0.02925644 Na 12.95865390 0.00024830 2.64097957 0.00565427 0.00742510 -0.00002752 Na 10.32616250 2.57108498 2.64711060 0.00785347 0.04757580 -0.02927897 Na 0.05047809 5.22081390 0.00996744 -0.00487805 -0.00726944 -0.02136131 Na 2.61872706 7.79433525 0.00353281 0.01680397 0.02510802 -0.06154793 Na 2.61064716 5.16395219 2.58995812 0.04083962 0.03800123 0.03352923 Na 0.04448183 7.77132922 2.56296749 -0.07026056 0.01310756 0.03547384 Na 5.13782387 5.18268994 0.03440767 0.01462289 -0.02730990 -0.08667208 Na 7.74037846 7.72982064 0.04726687 0.03165621 0.02439567 -0.09770635 Na 7.76079703 5.19958314 2.59205587 0.01817210 -0.02622126 0.05896865 Na 5.19986358 7.74943850 2.54413070 -0.02948522 0.02217418 0.08559225 Na 10.33282370 5.20352438 0.03674289 0.01204608 -0.03107270 -0.05489109 Na 12.92703532 7.79068886 0.02882647 0.02726355 -0.01268431 -0.01371591 Na 12.98588968 5.16341716 2.58452992 0.04722804 -0.01396314 0.00658365 Na 10.41045067 7.81029760 2.58762145 -0.07255807 -0.02143117 0.06674348 Na 0.01798299 10.42537275 0.02701414 0.01911121 -0.04179090 0.00258571 Na 2.63241785 13.01574460 0.08170428 0.01783221 -0.02173090 -0.00631603 Na 2.56273174 10.38319816 2.63316072 0.07773155 -0.04877698 -0.02162224 Na 0.03297052 12.91837318 2.62329008 -0.02686440 0.03734082 0.00040170 Na 5.23740065 10.37619664 0.04528029 -0.04510067 -0.02168778 -0.08731338 Na 7.79702291 12.96444292 0.00523135 0.02259057 0.00163697 0.00635095 Na 7.76276527 10.36879463 2.55998989 0.04698632 -0.03005063 0.05951899 Na 5.18129144 12.92984387 2.56481568 0.02093653 0.07792929 0.06578658 Na 10.40675954 10.34453247 0.04881492 -0.06116754 0.00370361 -0.08796902 Na 12.96730591 12.95659459 0.03120678 -0.05303469 -0.04549191 0.04265931 Na 12.94884643 10.39633518 2.57857671 0.09171287 -0.03216570 0.05213333 Na 10.41264003 12.92996491 2.63650406 -0.05436125 0.07330604 -0.00891384 Na 0.03325007 0.03735667 5.17135397 -0.00678723 -0.00986733 -0.02852386 Na 2.54576793 2.61712398 5.13635710 0.07715470 0.01255062 0.04155647 Na 2.54636898 0.04262200 7.81170632 0.06208038 -0.06389831 -0.04013276 Na 0.02314763 2.57535316 7.75128765 -0.07727720 0.06097628 0.00320759 Na 5.20066881 0.03057114 5.18396639 -0.02670381 -0.08390842 0.02223330 Na 7.75553691 2.56517852 5.22210915 0.02628779 0.05326356 -0.04599122 Na 7.82825325 0.02045551 7.75153219 -0.00351128 -0.07822472 0.02972964 Na 5.21202804 2.60693047 7.72870503 -0.04916012 0.02088386 0.04126180 Na 10.39851289 0.00643262 5.12473614 -0.03298854 -0.07614153 0.03208404 Na 13.00880615 2.57284017 5.16722822 0.05801930 0.03776865 0.01819409 Na 12.98323934 0.04557936 7.82811472 -0.01025676 -0.01035118 -0.01671334 Na 10.36942152 2.55818747 7.75160186 -0.00573839 0.04954642 0.00945118 Na 0.05145328 5.19844883 5.14290686 -0.08392802 0.01865229 0.02865423 Na 2.62654493 7.81398786 5.16457797 0.02639737 -0.02617447 0.00915896 Na 2.58991450 5.20667099 7.78121367 0.04904732 -0.01006064 -0.04106492 Na 0.02384543 7.82663050 7.75427781 -0.06053231 -0.00792410 -0.02076984 Na 5.22820082 5.14910007 5.13722481 -0.03493841 0.03202638 0.02480970 Na 7.77012001 7.80468559 5.21094283 0.05508257 -0.02832910 -0.01754982 Na 7.76851040 5.14692972 7.79417149 0.02454717 0.02305762 -0.01758487 Na 5.22293344 7.81263203 7.72372137 -0.02186936 -0.02332546 0.03752398 Na 10.40251567 5.14725672 5.16959984 -0.06432126 0.02890663 0.02307490 Na 12.94886433 7.73032558 5.16404880 0.06075369 0.03135873 0.02343359 Na 12.96820764 5.17655385 7.81920603 0.05197275 -0.00232208 -0.02952946 Na 10.38669538 7.79933099 7.84828697 -0.03105208 -0.02916879 -0.04565296 Na 0.01291733 10.42134287 5.14325536 -0.07224257 -0.06746273 0.03682544 Na 2.56915219 12.97640415 5.13852438 0.06640123 0.05874636 0.03624843 Na 2.63708127 10.38643770 7.80782010 0.01917577 -0.05587055 -0.03517083 Na 0.05904838 12.88760704 7.82279063 -0.02249336 0.01585856 -0.01079753 Na 5.23580413 10.33104836 5.15012712 -0.02617944 0.02761663 0.01375789 Na 7.82280468 12.91931153 5.21370445 -0.03399613 0.07973351 -0.01411728 Na 7.84386820 10.41531003 7.80699879 -0.04545797 -0.03620884 0.01717691 Na 5.13818312 12.95447629 7.81636709 0.03720000 0.05356403 -0.04766744 Na 10.39322518 10.40186157 5.22386840 -0.02902761 -0.08716708 -0.01608106 Na 12.91773981 12.95269538 5.21857030 0.03802241 0.01313317 -0.01129406 Na 12.97840624 10.38541174 7.82051733 0.06114630 -0.04053037 -0.01064605 Na 10.42022280 12.98386818 7.77906911 -0.04264931 0.07485545 0.03850138 Na 0.04447314 0.06969723 10.36155945 -0.02221545 -0.02506574 -0.01178648 Na 2.55842909 2.59553495 10.40962041 0.07733752 0.03143022 -0.06086564 Na 2.58306714 0.01148098 13.00469614 0.03611072 -0.00115869 -0.02163446 Na 0.04410315 2.59603916 12.93264554 -0.02776993 0.03407349 0.01710956 Na 5.16108581 0.01246912 10.30331526 0.02217456 -0.04155340 0.01402417 Na 7.81772967 2.60207051 10.42049262 -0.05734301 0.01207881 -0.05247195 Na 7.81517964 0.01332644 13.01730765 -0.01987662 0.00117224 -0.01795721 Na 5.16174814 2.54364383 12.98862431 0.01291864 0.04605094 0.03599338 Na 10.39521734 0.03739655 10.42402976 -0.00856747 -0.06401736 -0.02917396 Na 13.00758565 2.62648875 10.34070450 0.04540011 -0.00188143 0.02063871 Na 13.01321069 0.01931495 13.01329841 -0.06367140 0.07020901 -0.07141366 Na 10.37438529 2.58572142 12.95585933 0.03079020 0.02512447 0.08095109 Na 0.03123857 5.19578388 10.32839177 -0.09017063 -0.01169142 -0.02596285 Na 2.57101929 7.74750241 10.39245190 0.06668309 0.01325604 -0.05340605 Na 2.54654920 5.15478288 12.96176690 0.07252017 0.00992244 0.07728990 Na 0.03529883 7.71271149 12.95594879 -0.02115503 0.01852504 0.01519378 Na 5.12052043 5.18653726 10.33628280 0.04532208 -0.01475039 0.01183329 Na 7.77006075 7.74252626 10.33233117 0.00233838 0.01029286 0.01917315 Na 7.81261129 5.15851787 13.01749886 -0.03169736 0.01771725 0.03947633 Na 5.20491309 7.79277921 12.95970016 -0.00289983 -0.03668246 0.06154074 Na 10.37541856 5.14366891 10.39723498 -0.02345241 0.02127811 -0.04057280 Na 12.99155468 7.75607994 10.36937057 0.05368652 0.03324084 -0.00990405 Na 13.00225444 5.22569780 12.91900629 -0.00258134 -0.02901075 0.01263588 Na 10.41906995 7.78026693 12.97608803 -0.04923842 0.00884984 0.03535256 Na 0.03465809 10.30790552 10.36896390 -0.05925998 0.00898760 0.00408503 Na 2.61795089 13.01519649 10.32394038 0.00581492 0.04104052 0.04802001 Na 2.60212020 10.33891082 12.93894468 0.01398511 0.01297119 0.06097193 Na 0.02656745 12.93388675 12.94720224 0.06226550 -0.05704935 -0.06638476 Na 5.16540781 10.35974422 10.40844193 0.02883710 -0.02227400 -0.04534885 Na 7.74113811 13.00718948 10.39162794 0.01591182 0.04526538 -0.03318219 Na 7.77394697 10.38929866 12.99662866 0.01822747 -0.02739443 0.03512780 Na 5.19757676 12.99380803 12.97470157 -0.02466741 -0.01306204 -0.00673949 Na 10.37406794 10.40248598 10.39902131 -0.03081001 -0.04609575 -0.00928631 Na 12.93341387 12.93942422 10.41914745 0.02140866 0.00503500 -0.04553658 Na 12.97999456 10.39380194 13.00797495 -0.01648600 -0.04464559 -0.02296518 Na 10.40083061 12.99236477 12.91540987 -0.05355267 -0.00779641 0.01310778