108 Lattice="16.4664072784625 0.0 0.0 0.0 16.4664072784625 0.0 0.0 0.0 16.4664072784625" Properties=species:S:1:pos:R:3:forces:R:3 energy=-103.29438165015895 stress="-0.0001868035097444791 2.399562419564705e-05 2.2102692985774758e-05 2.399562419564705e-05 -0.00019603581577205784 6.58453563403529e-05 2.2102692985774758e-05 6.58453563403529e-05 -0.00015497447544341063" free_energy=-103.29438165015895 pbc="F F F" Na 0.00255991 0.02799800 0.00378168 0.02548466 0.04303229 0.03409563 Na 2.70367882 2.75017473 0.05261853 0.02359763 -0.01819711 -0.02757689 Na 2.69847796 0.04753796 2.75109812 0.01886895 -0.02472640 -0.01894074 Na 0.01084400 2.75358295 2.76405637 -0.05346112 -0.02379455 -0.01334927 Na 5.48872612 0.05975548 0.05129548 -0.02342810 -0.00754160 0.01411622 Na 8.21331048 2.69401950 0.03824994 0.02213102 0.01616399 -0.02917038 Na 8.22247044 0.02190946 2.77782077 0.03277527 -0.05435981 -0.02910527 Na 5.54093584 2.72289362 2.74529436 -0.03834885 0.03514831 0.00770729 Na 10.98856474 0.01880498 0.03759969 0.02250204 0.03641587 0.04242033 Na 13.72969884 2.79684573 0.00025213 -0.04011359 -0.02570657 0.05322402 Na 13.73284164 0.01996246 2.78869773 -0.01668643 0.03524288 -0.05237966 Na 10.93466351 2.75192868 2.77457363 0.06972340 -0.01427806 -0.05312830 Na 0.00165863 5.44004538 0.00806045 0.01407143 0.03018277 0.01371328 Na 2.75616154 8.27782491 0.02349876 -0.00546665 -0.02910306 -0.01735692 Na 2.69701552 5.45918093 2.73726579 0.03894776 0.02930944 -0.01980893 Na 0.05456061 8.27578790 2.70702227 -0.04867032 -0.03164514 0.01795750 Na 5.51797465 5.47440348 0.04444222 -0.01171947 -0.01226833 -0.03025541 Na 8.28169667 8.22280349 0.01411168 -0.03452207 0.02183760 -0.03125926 Na 8.26412906 5.50492555 2.77251192 -0.02306222 -0.03184858 -0.04041816 Na 5.54159580 8.21671901 2.68262910 -0.04767656 0.03434261 0.03353893 Na 10.93332924 5.44284152 0.00824434 0.02409143 0.00923650 -0.02206321 Na 13.74207015 8.17912283 0.04855244 -0.05294467 0.02017002 0.01091384 Na 13.67186758 5.53933075 2.71404138 0.02243891 -0.04677724 0.01783476 Na 10.95495524 8.18241483 2.79666267 0.04038294 0.03359016 -0.05699425 Na 0.06620997 10.96655872 0.03332525 -0.01160375 0.02950791 0.00781500 Na 2.70311994 13.64159809 0.05481232 0.01309147 0.01850185 0.01665842 Na 2.69546950 11.02303013 2.79744701 0.05525284 -0.01812159 -0.01941044 Na 0.03587911 13.72796956 2.81915884 -0.00992147 -0.01613137 -0.01853930 Na 5.44407543 11.04069054 0.01755592 0.03149769 -0.02946674 0.00713260 Na 8.23934700 13.68041169 0.02446056 -0.00427099 -0.00523331 0.01286564 Na 8.27887231 10.96720439 2.75622228 -0.02140360 0.01680057 -0.03693371 Na 5.52853647 13.71749571 2.79840248 -0.03625171 0.02827902 -0.04056383 Na 10.94899063 10.95069920 0.05026906 0.07541017 0.01464236 -0.02230055 Na 13.77300185 13.67963024 0.05183980 -0.03468084 -0.04770451 0.02316582 Na 13.67114470 10.96594808 2.79504415 0.01699701 -0.01650311 -0.02256037 Na 11.02831413 13.73440300 2.68610672 -0.01851643 0.02015571 0.02540883 Na 0.06921605 0.04179445 5.51139002 -0.01240509 0.00308869 -0.00723686 Na 2.74924192 2.79620180 5.45374143 -0.00470115 -0.03221138 0.02346981 Na 2.69937818 0.02879493 8.25902727 0.04742019 -0.02359920 -0.03492697 Na 0.01127281 2.73082834 8.24273686 -0.01304402 0.01508152 -0.01249608 Na 5.53133443 0.02174109 5.43463658 -0.07588449 -0.03066236 0.02279118 Na 8.26601753 2.71760807 5.47373455 -0.02475876 0.03064367 0.01561248 Na 8.18624822 0.04751979 8.19183929 0.01769994 -0.03327082 0.00547433 Na 5.44450775 2.75660766 8.18359909 0.01593224 -0.01928117 0.01064828 Na 11.03784594 0.03416535 5.44362020 -0.01684662 -0.04162070 0.03300620 Na 13.74611679 2.74243744 5.47034970 -0.01043423 0.03782068 0.02254093 Na 13.75677463 0.02832448 8.22778404 -0.03388029 0.02098479 0.00990266 Na 10.92476740 2.65785879 8.27025252 0.08134293 0.05077196 -0.03355810 Na 0.00464945 5.50418642 5.50772418 -0.04186937 -0.01492051 -0.02606927 Na 2.72130323 8.20564700 5.47032074 0.02447401 0.03352555 -0.01461572 Na 2.70221076 5.53406951 8.24062443 0.01530516 -0.02877325 0.00455731 Na 0.01301711 8.17846397 8.21026962 -0.02182875 0.04565892 0.03907742 Na 5.49977148 5.53721563 5.49493481 0.00354474 -0.02711844 -0.01021538 Na 8.28085047 8.19599613 5.47225966 -0.05365517 0.03606245 0.03801425 Na 8.25174675 5.44262852 8.26859326 -0.00780029 0.02405871 -0.03016867 Na 5.45777469 8.27555241 8.22975813 0.03637913 -0.03174336 -0.01833380 Na 10.94597109 5.51344480 5.46984932 0.05209464 -0.07029578 0.05506193 Na 13.68982295 8.18393125 5.52426715 0.03001965 0.01973384 -0.01896000 Na 13.67453609 5.47646216 8.28552154 -0.00280257 -0.02152719 -0.02618586 Na 11.00779020 8.26926975 8.18269431 -0.01388928 -0.04435591 0.06623085 Na 0.03448065 11.01055447 5.52370186 -0.03289899 -0.02671199 0.01827206 Na 2.71149884 13.74181797 5.53205967 0.03941809 0.02040769 -0.00034242 Na 2.78613201 10.96191413 8.27479176 -0.05074811 0.02824390 -0.05300205 Na 0.02723883 13.75190641 8.18811070 0.01677338 -0.01347647 0.01564779 Na 5.52061987 11.02151168 5.44225405 -0.02356735 -0.05098215 0.02651658 Na 8.23889523 13.66966677 5.49552161 0.03826742 0.06140028 -0.00250695 Na 8.27051293 10.97110195 8.22526615 -0.02400722 0.01474671 0.00490964 Na 5.48896916 13.71368850 8.23383312 0.01577646 0.01400078 -0.01420729 Na 10.92457099 10.99457508 5.46941225 0.05520103 0.01901223 0.01067786 Na 13.67271033 13.69101177 5.52320984 -0.01691009 0.00103466 -0.00506066 Na 13.69293420 10.96180616 8.20601235 0.01061222 0.02406451 0.00871084 Na 10.97686331 13.77668994 8.27993176 0.00263390 -0.00727195 -0.02182906 Na 0.06545375 0.07418528 11.01813303 -0.00605525 0.01286982 0.01500563 Na 2.76351790 2.73726166 10.99173771 -0.02690847 -0.00986350 0.02201733 Na 2.74077781 0.00151709 13.75783568 0.00990243 0.02926863 -0.03062620 Na 0.02917457 2.76335654 13.75911862 0.02741922 -0.00859711 -0.01703887 Na 5.49594500 0.03220499 10.96188755 -0.00417578 -0.02643381 0.02326483 Na 8.22224492 2.76720268 11.02192573 -0.01821250 -0.03803336 -0.01092312 Na 8.23615657 0.03641390 13.76554566 0.01836955 0.00898529 -0.02446607 Na 5.53059263 2.69219824 13.67540242 -0.03402698 0.03622620 0.05182827 Na 10.92530149 0.04079082 10.98020680 0.04336059 -0.01757868 0.01547580 Na 13.77149474 2.76516060 10.96548430 -0.01311063 -0.01885747 0.03005839 Na 13.69171429 0.04685826 13.68748367 -0.02747506 0.01934012 -0.03625124 Na 11.02774251 2.76767932 13.70423512 -0.01450859 -0.02717517 0.02480264 Na 0.00534469 5.43914401 10.98155944 -0.00623708 0.01252343 0.02118270 Na 2.76157386 8.27623256 11.00675267 -0.04089465 -0.04189704 -0.00890988 Na 2.75800376 5.50699451 13.69635048 -0.02394449 -0.02907134 0.02369431 Na 0.02478969 8.26045035 13.66820286 0.00879227 -0.00768779 -0.01804984 Na 5.44242335 5.43646258 10.94214904 0.02991418 0.03603358 0.03325836 Na 8.20658204 8.20378940 10.95594244 0.01892387 0.01853884 0.03916494 Na 8.26483676 5.51508126 13.72697402 -0.03288035 -0.01361381 0.02214916 Na 5.43782577 8.18780187 13.73227975 0.02503083 0.03003910 0.00813764 Na 10.93409245 5.44098823 11.02696275 0.06750737 0.04632411 -0.02818486 Na 13.75389234 8.21633161 10.99185381 -0.02462939 0.03059942 0.02592909 Na 13.67491841 5.52864557 13.75639764 -0.00024866 -0.02524691 -0.02786461 Na 11.00237260 8.22111457 13.76076671 0.00580566 0.05694833 -0.01886257 Na 0.03785727 11.01634466 10.92434042 -0.02128229 0.01530220 0.01186429 Na 2.78581805 13.76334646 10.94616972 -0.02997759 0.00025771 0.03628429 Na 2.70184006 10.99927425 13.70837684 0.03062778 0.03119594 0.00519165 Na 0.02568463 13.71946948 13.70551844 0.03234876 -0.03106345 -0.04634380 Na 5.47969282 10.96046659 10.96338849 0.01040555 0.03384395 0.05301437 Na 8.21955820 13.67099691 10.98714030 -0.00809435 0.03557750 0.00121212 Na 8.19580117 10.98126324 13.72631991 0.01349556 -0.03760256 0.01014384 Na 5.53462535 13.71529001 13.71907750 -0.02357928 -0.01900724 -0.02153213 Na 10.97551453 11.01067621 10.98342379 0.03570218 -0.03640108 0.04060747 Na 13.71666723 13.70481909 10.94930321 -0.02484453 -0.01675333 0.02177181 Na 13.75442535 11.07116416 13.75311617 -0.05162321 -0.03459126 -0.04999065 Na 10.92676188 13.70356439 13.72712254 0.01962425 -0.01607094 -0.03487560