108 Lattice="16.466409036790246 0.0 0.0 0.0 16.466409036790246 0.0 0.0 0.0 16.466409036790246" Properties=species:S:1:pos:R:3:forces:R:3 energy=-103.28578029658586 stress="-0.00014859196500776174 1.421397384196486e-05 -5.39838703338655e-05 1.421397384196486e-05 -0.0001231273040986894 1.9714669498653973e-05 -5.39838703338655e-05 1.9714669498653973e-05 -0.000171381905536161" free_energy=-103.28578029658586 pbc="F F F" Na 0.04003496 0.01491407 0.02765673 0.03269678 0.03816291 0.03483935 Na 2.76555451 2.71242245 0.01850366 -0.03643218 0.03634651 -0.03793046 Na 2.77728222 0.01487162 2.70586427 -0.02709634 -0.02918690 0.03510039 Na 0.05259902 2.75368822 2.78523846 -0.02747990 -0.03582079 -0.04399570 Na 5.44513647 0.08981372 0.04690973 0.01827510 -0.02066071 -0.02457965 Na 8.23980757 2.74311791 0.00933295 0.00947959 0.01501687 -0.02548521 Na 8.21144836 0.03893253 2.69580354 0.02098500 -0.02776148 0.02865441 Na 5.46568629 2.78433510 2.71039793 0.03777487 -0.01058159 0.02804263 Na 11.02243512 0.06376858 0.05205723 -0.02018989 -0.01398045 -0.01776062 Na 13.73831467 2.69243970 0.03177652 -0.01163467 0.04391214 0.02481250 Na 13.67754022 0.00723521 2.74503187 0.00148243 0.00734249 0.02817018 Na 10.97531255 2.73055214 2.72066852 0.03977456 0.02228118 0.01115128 Na 0.03209614 5.46630394 0.00251832 0.01131616 -0.01443575 0.01238430 Na 2.79080537 8.18707372 0.02300992 -0.05362912 0.02860354 -0.03843236 Na 2.72290000 5.43937018 2.73598915 0.00671804 0.02199614 -0.00182545 Na 0.02699971 8.20168162 2.72745861 -0.01113921 0.01710237 -0.00925804 Na 5.54172350 5.50792092 0.05394964 -0.02188477 -0.03389693 -0.05241209 Na 8.23171442 8.23415991 0.01906176 0.00640158 -0.01221944 -0.04024128 Na 8.27530702 5.52829524 2.74923099 -0.02067939 -0.02459034 -0.01108117 Na 5.46446320 8.19486320 2.69206499 0.01550564 0.01237816 0.07188158 Na 11.01524962 5.52188812 0.02278673 0.02487673 -0.02393368 -0.02017469 Na 13.75722909 8.27671099 0.03486652 -0.01987783 -0.01022760 0.01242878 Na 13.76669484 5.50803665 2.78795174 -0.00403208 -0.01468032 -0.02751060 Na 10.97981588 8.20562759 2.72774219 0.05139733 0.01844220 0.02588260 Na 0.01691004 11.03069681 0.01019602 0.04769246 -0.01326629 0.04764470 Na 2.78096062 13.72254718 0.03681751 -0.02301794 -0.03364692 0.01285731 Na 2.78577867 10.93511232 2.74996558 -0.05834925 0.04848943 -0.00580669 Na 0.02851514 13.77507622 2.78219397 0.04362672 -0.06113412 -0.00931087 Na 5.54031397 10.93683562 0.01156383 -0.01532232 0.03773002 -0.03172142 Na 8.25673122 13.71227910 0.00064579 -0.01870916 -0.02927801 0.02435171 Na 8.20372359 10.93240344 2.77453276 0.00614907 0.05235479 -0.01825929 Na 5.45304980 13.71294112 2.69687065 0.02492974 0.01533761 0.02550042 Na 10.92934377 10.93286663 0.05233465 0.05175757 0.05912424 -0.00993118 Na 13.75529009 13.71865066 0.04177647 -0.07217223 -0.05917298 0.04197601 Na 13.73199523 10.98187589 2.72503922 -0.00846674 0.03932942 0.01612510 Na 10.93310745 13.77114497 2.74773257 0.05216312 -0.02642783 -0.01098770 Na 0.03868732 0.02665350 5.49426079 0.00180085 0.00102404 -0.02363343 Na 2.79597783 2.67806703 5.47791649 -0.01547362 0.04470308 0.01424964 Na 2.74777759 0.02250072 8.17442235 0.01982240 -0.02346622 0.04367064 Na 0.04984044 2.71491071 8.21766101 -0.02802195 0.01784412 0.00711196 Na 5.53483556 0.03668773 5.48577528 -0.00676783 -0.02099194 -0.01499115 Na 8.26654416 2.76030799 5.47354078 -0.03096409 -0.00638760 -0.00783127 Na 8.23385057 0.04885524 8.19627713 0.02590741 -0.04228956 0.02076028 Na 5.54138476 2.79458680 8.27416485 -0.01811890 -0.04342490 -0.03571909 Na 11.00390748 0.05477192 5.54015808 -0.03345173 -0.03496676 -0.06453033 Na 13.72023664 2.72959721 5.51534812 0.02325270 0.01255307 -0.03043936 Na 13.65530123 0.00891164 8.18319576 0.00941580 -0.00066567 0.03309903 Na 10.98818735 2.76767785 8.21306216 0.02648097 -0.00701434 0.03433836 Na 0.03083009 5.44512705 5.48186597 -0.01571428 0.01517042 0.03036595 Na 2.74202217 8.18870416 5.51450650 -0.00936951 0.03146673 -0.02625809 Na 2.79005344 5.48114318 8.25315217 -0.04974961 -0.01429564 -0.01568199 Na 0.03457958 8.24732309 8.27849298 -0.01328284 -0.02258533 -0.01891793 Na 5.50008664 5.49541441 5.49199482 0.00848652 -0.00593575 -0.00778155 Na 8.25008864 8.25001956 5.51331045 -0.03260798 -0.01762988 -0.02716370 Na 8.27088165 5.52793550 8.24550630 -0.03397507 -0.01114695 -0.02364496 Na 5.44436110 8.28112582 8.23996585 0.01804200 -0.04285048 0.01298264 Na 10.96333466 5.46512743 5.48158917 0.06286872 0.03112577 0.00521236 Na 13.76863649 8.28210645 5.52887741 -0.01426717 -0.02733811 -0.03343175 Na 13.74665976 5.52475901 8.23201147 -0.00054024 -0.02269651 0.00912576 Na 10.94562345 8.26127937 8.22786660 0.07255612 0.00851577 -0.00017841 Na 0.00243715 10.95801499 5.52723470 -0.01378553 0.00477564 -0.04379100 Na 2.69456170 13.69225143 5.51750657 0.04333877 0.03731543 -0.02820056 Na 2.79573824 11.02957629 8.18511757 -0.05083507 -0.01931780 0.05504134 Na 0.00466653 13.72204963 8.18410739 0.01110875 -0.02889883 0.03874598 Na 5.51048489 11.03095034 5.51429184 -0.03078855 -0.03447840 -0.04315478 Na 8.19644761 13.70923898 5.50637661 0.02741077 0.02779595 -0.01737168 Na 8.21125257 10.93648082 8.18683173 0.03693310 0.03632406 0.04421745 Na 5.54055197 13.73544269 8.25552687 -0.02484561 0.03233954 -0.00529560 Na 10.98867961 10.97567397 5.46701770 0.02509613 0.04347217 -0.00652666 Na 13.72830631 13.74057975 5.51681841 -0.03881186 -0.03722758 -0.01261913 Na 13.76669629 10.96277949 8.21225618 -0.01492017 0.02154507 0.02502905 Na 10.96506002 13.71010345 8.26266877 0.01410184 -0.01145268 -0.02288622 Na 0.02297148 0.00439007 10.95817183 0.02268081 0.03812555 0.01309353 Na 2.74658296 2.75877954 10.97643337 -0.01446689 -0.04783208 0.01029375 Na 2.69170762 0.02222786 13.70792853 0.02710426 0.02023867 -0.02923649 Na 0.05363557 2.77988912 13.74698691 -0.00511210 -0.03881753 -0.02737446 Na 5.50897475 0.04722186 10.93967670 -0.02064051 -0.02675765 0.02691757 Na 8.31864557 2.72309763 10.93388306 -0.03142585 0.00911532 0.05316974 Na 8.19514747 0.02347447 13.74850916 0.02208377 0.00789777 -0.03533411 Na 5.50481113 2.69700354 13.69831782 -0.01492281 0.01455642 0.00553323 Na 10.99877348 0.00349409 10.99506810 -0.01857013 -0.04789719 -0.01181447 Na 13.68183110 2.66970513 11.02657438 0.01386342 0.03895076 -0.03913300 Na 13.67421833 0.00420620 13.75289900 -0.02087578 0.02065581 -0.01429589 Na 10.95820920 2.69230239 13.66977340 0.01871410 0.03372224 0.04334027 Na 0.05194099 5.47613842 11.01817318 -0.05194220 -0.00852174 -0.02734188 Na 2.69046866 8.20104660 11.00129076 0.05503470 0.02995425 -0.01258957 Na 2.71691139 5.45653700 13.69475460 0.04659138 0.02320691 0.04009761 Na 0.01825036 8.24741822 13.70288865 0.00052167 -0.02003067 0.00281794 Na 5.50309056 5.46167809 10.97021470 0.00347617 0.01556621 0.04199723 Na 8.24104929 8.18032522 10.95553210 0.00320404 0.05685148 0.04535529 Na 8.23251863 5.45219736 13.74105469 -0.01563836 -0.00466710 0.00053675 Na 5.48260083 8.28675340 13.67048386 0.00046438 -0.05002627 0.02171601 Na 10.97934514 5.53395207 10.95599654 0.04535596 -0.04571323 0.05108202 Na 13.68319628 8.21904306 11.00175170 0.02028706 0.02227040 0.02423120 Na 13.75954807 5.43699697 13.72703555 -0.05531791 0.00088037 -0.03330620 Na 10.93121610 8.19187676 13.76293189 0.05671250 0.02595073 0.00656545 Na 0.04745104 10.94879008 10.99945634 -0.02211223 0.07893368 -0.01705715 Na 2.77497263 13.72672703 10.96793509 -0.03354518 0.00717227 0.00613517 Na 2.72013630 10.97302765 13.69523509 0.02747895 0.05327518 0.02031235 Na 0.04716560 13.75971012 13.72162348 0.03962534 -0.04612887 -0.04698499 Na 5.52901459 10.98418925 10.95757952 -0.04421600 0.01079593 0.02963687 Na 8.23354133 13.67485970 10.94422336 0.02584681 0.03050859 0.03525253 Na 8.21214914 10.99842524 13.72300092 0.03114338 0.01560372 0.01108621 Na 5.52437338 13.77371579 13.68435766 -0.02676919 -0.04226307 -0.02561562 Na 11.02503953 11.00004551 11.04958643 -0.02052164 -0.02683287 -0.02933724 Na 13.71552832 13.70172635 10.93377365 0.00071473 -0.02132049 0.01456599 Na 13.77387757 10.99444220 13.75527247 -0.05085994 -0.00622231 -0.03882334 Na 11.03907282 13.75446122 13.68479248 -0.01718737 -0.03115900 -0.02449285