256 Lattice="24.865637504599285 0.0 0.0 0.0 24.865637504599285 0.0 0.0 0.0 24.865637504599285" Properties=species:S:1:pos:R:3:forces:R:3 energy=-147.93901706863136 stress="-0.00013700793475484468 -2.6132748525003095e-05 1.115692446374742e-06 -2.6132748525003095e-05 -0.00013591036941590115 1.5251333163810611e-05 1.115692446374742e-06 1.5251333163810611e-05 -0.00014277093813125878" free_energy=-147.93901706863136 pbc="F F F" Na 0.03552024 0.01211755 0.00198643 -0.06477455 -0.05732241 -0.05816651 Na 3.12904518 3.10122696 0.03033992 0.05387386 0.08947012 -0.14770129 Na 3.13069503 0.04202252 3.08946764 0.07938072 -0.14517657 0.10257971 Na 0.02828318 3.11961891 3.15431987 -0.14051239 0.07448650 0.05686406 Na 6.20393161 0.05630151 0.00452878 0.04005141 -0.10406161 -0.09241646 Na 9.32333495 3.15267573 0.04021831 0.01517971 0.08825170 -0.11480611 Na 9.36668484 0.00871561 3.15859615 -0.02697922 -0.11683647 0.07809587 Na 6.21056103 3.11406845 3.05618098 0.04365686 0.10975777 0.17996322 Na 12.40154941 0.05297456 0.03313389 0.00486312 -0.09002412 -0.09349930 Na 15.49865145 3.15468761 0.03752736 -0.00013730 0.07243650 -0.11146196 Na 15.50297124 0.02744003 3.15895660 -0.00201252 -0.11727091 0.07212595 Na 12.37763957 3.07971179 3.15739332 0.00927892 0.15075105 0.11056800 Na 18.60397409 0.01857872 0.04289033 -0.07182387 -0.09542473 -0.10071043 Na 21.72289356 3.11277773 0.04280785 0.09609241 0.05934727 -0.11836033 Na 21.73756101 0.01954757 3.07468689 0.09908653 -0.10363097 0.07590637 Na 18.61255625 3.15336108 3.14866483 -0.09197274 0.09532141 0.09380713 Na 0.03557801 6.18331202 0.03557965 -0.08687574 0.02175573 -0.07880248 Na 3.06033345 9.35283868 0.00615465 0.13380128 -0.01739725 -0.11214307 Na 3.16791359 6.22209381 3.13324634 0.09812340 0.04004814 0.10745424 Na 0.01945037 9.37841893 3.11468896 -0.11541776 -0.04099904 0.10880744 Na 6.18144359 6.15600273 0.02551665 0.03232548 0.07049453 -0.09542185 Na 9.25886117 9.33785231 0.00630144 0.04476522 -0.03638917 -0.07029589 Na 9.30934447 6.20741563 3.14740163 0.01317083 0.06268890 0.12141011 Na 6.19220877 9.35989613 3.11664854 0.03088319 -0.01689822 0.13013113 Na 12.49247018 6.22094298 0.04553787 -0.04421625 0.04443669 -0.07450860 Na 15.59130279 9.28990928 0.03834943 -0.05507264 0.01107263 -0.08879913 Na 15.53696062 6.17294791 3.13389324 -0.03421420 0.06286626 0.14166329 Na 12.48706557 9.31883066 3.15354676 -0.03330969 -0.02146761 0.11732900 Na 18.66611924 6.28286805 0.02395709 -0.10140542 -0.01214569 -0.10758530 Na 21.72121455 9.30101321 0.02095654 0.10098831 0.01527561 -0.08753774 Na 21.79467226 6.19301962 3.06455888 0.09773022 0.02644382 0.11949505 Na 18.62605077 9.38418571 3.11872247 -0.09965400 -0.03112283 0.15409708 Na 0.04625038 12.38336369 0.04255670 -0.10349668 0.02264181 -0.11704203 Na 3.16133286 15.54850180 0.01057014 0.08159980 -0.05079930 -0.12207163 Na 3.08356449 12.44183940 3.08135678 0.18078925 0.00391924 0.15358959 Na 0.00987473 15.46765974 3.08202356 -0.12142569 0.01199681 0.09352353 Na 6.31277947 12.42843189 0.05077172 -0.02146752 -0.00169527 -0.09613499 Na 9.30366771 15.57288810 0.05895804 0.03131933 -0.03004884 -0.10180202 Na 9.36663013 12.36176672 3.09998696 0.01871468 0.01522597 0.15219804 Na 6.30403679 15.52158014 3.06728870 -0.01354577 -0.04067167 0.18303651 Na 12.47416882 12.43421251 0.04842320 -0.02015947 -0.01789541 -0.08550615 Na 15.54850448 15.49009551 0.03635087 -0.01947201 0.00861393 -0.06927075 Na 15.51554185 12.37442749 3.16075994 -0.02495669 0.03953087 0.12617306 Na 12.37952130 15.52379272 3.13426485 0.02770579 -0.02590700 0.13804867 Na 18.62487634 12.37683301 0.03057884 -0.09478395 0.02146610 -0.11905016 Na 21.72173118 15.50411949 0.05993573 0.07780174 -0.00016650 -0.10464032 Na 21.74030083 12.47300123 3.05753516 0.12246828 -0.02872496 0.12240585 Na 18.62772463 15.49324067 3.16930600 -0.12787185 0.00630640 0.10413467 Na 0.03137046 18.62221050 0.02158862 -0.11277687 -0.05866237 -0.11096236 Na 3.15588837 21.75424278 0.00546969 0.05376613 0.10868626 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0.14256771 0.06346648 Na 0.05927224 0.03769456 6.23606024 -0.09555067 -0.10686238 0.00416298 Na 3.09346297 3.15551913 6.21820234 0.16880175 0.10254487 0.01797953 Na 3.11304058 0.05565119 9.31677750 0.10702158 -0.11066195 0.02559203 Na 0.04381578 3.10799545 9.28819500 -0.12061640 0.11176399 0.04012689 Na 6.22287676 0.00618127 6.23477696 0.01556502 -0.07509774 0.01816757 Na 9.31498051 3.09587503 6.22023300 0.00109109 0.16233377 0.05356630 Na 9.39509058 0.05644739 9.29121391 -0.02051812 -0.07564876 0.03453199 Na 6.21668781 3.16033940 9.31132949 0.04988580 0.11507444 0.02223908 Na 12.47436988 0.01434750 6.23442445 -0.01566883 -0.08993437 0.03349978 Na 15.52373801 3.10893638 6.18833922 -0.02894999 0.15034277 0.06080066 Na 15.56068898 0.05533158 9.28279151 -0.01824369 -0.08763853 0.02632220 Na 12.49237083 3.11080236 9.36279565 -0.00892583 0.14337049 -0.02175829 Na 18.67901616 0.06203259 6.25968894 -0.10827267 -0.12729388 -0.01070778 Na 21.75542717 3.09143790 6.25307230 0.12188086 0.12971733 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15.54605749 -0.08349843 0.03514597 -0.02579638 Na 6.23377611 6.20068222 12.44629670 0.02030399 0.04948190 0.00161985 Na 9.29803202 9.30833119 12.37256644 0.03464124 0.02447660 0.04454037 Na 9.32533737 6.24828935 15.50138475 0.00754439 0.02857214 -0.01905041 Na 6.20646352 9.38669672 15.59671710 0.03598636 -0.01695855 -0.06727087 Na 12.41715597 6.15824554 12.37212419 0.03699342 0.06645702 0.05652483 Na 15.48108892 9.28100227 12.38306479 -0.02324844 0.03803979 0.04641950 Na 15.55329867 6.20953032 15.54418804 -0.08296828 0.03838551 -0.06621071 Na 12.42705118 9.40702695 15.53200646 -0.00879494 -0.01322961 -0.04247556 Na 18.63510061 6.27932541 12.36715362 -0.14412223 0.00881931 0.01937038 Na 21.78896947 9.30708901 12.47501434 0.06142102 0.03880008 -0.03012187 Na 21.76724029 6.27021195 15.47304329 0.07276583 -0.01779953 0.00794522 Na 18.61626998 9.26701916 15.58099992 -0.13822864 0.04942219 -0.07708366 Na 0.03040714 12.51102618 12.41003417 -0.08069326 -0.01669313 0.01068401 Na 3.13771090 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12.48019251 -0.10264064 -0.10926585 -0.04482123 Na 21.74028155 21.72664970 12.47771571 0.07255901 0.08674059 -0.03388245 Na 21.73892412 18.68156795 15.46113032 0.11688970 -0.10966131 0.00213297 Na 18.65697637 21.76177386 15.58764085 -0.10496230 0.11347903 -0.03149158 Na 0.05180082 0.03446201 18.59920895 -0.11498771 -0.09578105 -0.04408504 Na 3.13977761 3.14233155 18.61413907 0.08357178 0.13140302 -0.09511025 Na 3.15581336 0.05277263 21.72196446 0.05421292 -0.11158714 0.10710760 Na 0.05678336 3.12956960 21.77496556 -0.11612172 0.05139114 0.08747985 Na 6.18031242 0.00915576 18.59628146 0.06430162 -0.12383432 -0.05952086 Na 9.36934977 3.07625191 18.68960991 -0.03570706 0.15908861 -0.14754246 Na 9.36935329 0.03501765 21.75950662 -0.03587929 -0.09889158 0.09367931 Na 6.22368313 3.13044926 21.74737772 0.03773407 0.09321365 0.10562457 Na 12.40626953 0.00348048 18.70756451 0.02999035 -0.12793868 -0.12684719 Na 15.56382915 3.14708303 18.60672387 -0.05858389 0.11829120 -0.09241613 Na 15.51648612 0.00421702 21.72760857 0.00447384 -0.07795045 0.08841171 Na 12.42745507 3.07746390 21.70743744 0.02551649 0.13842724 0.12119608 Na 18.59924031 0.01140331 18.59840965 -0.06340205 -0.14081939 -0.06481197 Na 21.71472175 3.10027571 18.66520294 0.13584930 0.10144795 -0.11186078 Na 21.71478437 0.00383044 21.72336096 0.06055783 -0.07156271 0.06113967 Na 18.68353604 3.12874090 21.73321541 -0.11096621 0.08120681 0.13548872 Na 0.00214088 6.25018157 18.59216987 -0.10527414 0.00286603 -0.07693871 Na 3.07213837 9.39012234 18.69439568 0.15310847 -0.02641331 -0.14632739 Na 3.06996344 6.17736598 21.76581377 0.10713704 0.04476092 0.09697748 Na 0.03655971 9.35906614 21.75739653 -0.09290737 -0.00696943 0.09100108 Na 6.22739358 6.21431311 18.63084611 0.02792611 0.03285590 -0.13045698 Na 9.29276236 9.28388108 18.67212188 0.01349433 0.05307337 -0.15640749 Na 9.34973749 6.27267798 21.73455069 -0.01444109 -0.00869918 0.09703905 Na 6.18283906 9.31220200 21.73224044 0.02152878 0.01571569 0.08120718 Na 12.39454596 6.25887051 18.63949626 0.01784431 0.00920820 -0.16610168 Na 15.56274243 9.31038907 18.60877816 -0.06246410 0.03821073 -0.12795445 Na 15.56113766 6.27408249 21.73085295 -0.03290972 -0.01048379 0.09049572 Na 12.43720644 9.26359952 21.72041582 0.00187249 0.04903039 0.08121952 Na 18.60482685 6.25961398 18.64395219 -0.08117348 0.00021103 -0.10523160 Na 21.71270313 9.24703215 18.62804167 0.10798650 0.03137666 -0.08422058 Na 21.79142443 6.21781829 21.80876762 0.07087781 0.02239214 0.07381094 Na 18.62992403 9.37530965 21.78515234 -0.09681058 -0.01897020 0.09922283 Na 0.05963099 12.45607104 18.65637096 -0.12924894 -0.00545266 -0.10592464 Na 3.08720124 15.54396382 18.70238636 0.15031277 -0.01960093 -0.13779281 Na 3.09534269 12.48960384 21.72516687 0.12003091 -0.00413081 0.13263923 Na 0.03506966 15.59668123 21.74382908 -0.10406226 -0.01765871 0.09850744 Na 6.20300959 12.47594358 18.62001571 0.02297664 -0.03168586 -0.09136695 Na 9.26612560 15.46214285 18.62788920 0.03430776 0.03204873 -0.13422447 Na 9.30528598 12.46791253 21.80169501 0.01084074 -0.05226708 0.06949874 Na 6.31912957 15.53715578 21.80434829 -0.02529772 -0.01199075 0.08430112 Na 12.40883787 12.47369725 18.70543228 -0.00342411 -0.02893848 -0.16242429 Na 15.52297134 15.51507856 18.70789617 -0.03399092 -0.01121005 -0.14875662 Na 15.52008677 12.45760111 21.73184080 -0.03043557 -0.01583439 0.09301221 Na 12.36552888 15.56484571 21.80670302 0.00147157 -0.02080386 0.08153771 Na 18.63042490 12.47381474 18.66126376 -0.09311025 -0.02307621 -0.12789165 Na 21.77476391 15.57356600 18.62752621 0.11751564 -0.04579509 -0.07802606 Na 21.70378243 12.33089082 21.78346223 0.09375797 0.02859166 0.06451205 Na 18.66550014 15.58195663 21.75544106 -0.07662979 -0.03269573 0.11726476 Na 0.02393127 18.70405540 18.66752618 -0.14607051 -0.09355478 -0.09138967 Na 3.15612649 21.73170988 18.63741974 0.07120433 0.15730563 -0.09129233 Na 3.10241655 18.70084792 21.72975440 0.08816340 -0.10701123 0.15919855 Na 0.02978874 21.80895695 21.69751594 -0.06439774 0.07158068 0.06740377 Na 6.15614097 18.64010767 18.68325410 0.06512025 -0.15822500 -0.14859130 Na 9.22832539 21.73960354 18.63142471 0.03175496 0.11269098 -0.08075090 Na 9.28355068 18.68910020 21.71732091 0.00788042 -0.09805302 0.10584306 Na 6.17840827 21.75108425 21.77607922 0.02335755 0.09985173 0.09865843 Na 12.39737685 18.63473180 18.69898619 -0.01143500 -0.12271571 -0.15577277 Na 15.54985613 21.74135573 18.67944290 -0.04152503 0.11252111 -0.11767502 Na 15.52608059 18.63543300 21.70307332 -0.00698449 -0.09283033 0.12647920 Na 12.45044082 21.70394362 21.75231379 -0.01892175 0.09809424 0.08348364 Na 18.67088350 18.64597477 18.65926165 -0.11931276 -0.11628334 -0.11992733 Na 21.76961753 21.71166013 18.69282954 0.11274594 0.11425870 -0.08487985 Na 21.79608405 18.68256096 21.71120415 0.10056275 -0.07310909 0.12230597 Na 18.64607182 21.79786966 21.72768510 -0.06297413 0.09441341 0.11288613