108 Lattice="19.10560583218189 0.0 0.0 0.0 19.10560583218189 0.0 0.0 0.0 19.10560583218189" Properties=species:S:1:pos:R:3:forces:R:3 energy=-54.58546479791572 stress="-9.75452498724945e-05 3.0019104442871173e-06 -9.267313917865897e-06 3.0019104442871173e-06 -0.00010875510743233165 -3.573002100794439e-05 -9.267313917865897e-06 -3.573002100794439e-05 -9.736852701201669e-05" free_energy=-54.58546479791572 pbc="F F F" Na 0.05214038 0.05835036 0.05877137 -0.04713293 -0.04993782 -0.05533211 Na 3.19068519 3.21467892 0.02126469 0.08657614 0.08132546 -0.08821600 Na 3.13633713 0.02393756 3.24446312 0.11142569 -0.10161370 0.05510181 Na 0.03550211 3.13499528 3.22092361 -0.10285105 0.12030711 0.07208217 Na 6.33998263 0.04627262 0.00290126 -0.00144048 -0.06957086 -0.05845404 Na 9.45867254 3.22015639 0.00670355 0.01857157 0.08116887 -0.08277865 Na 9.50891040 0.03073186 3.16084036 0.00605012 -0.08759367 0.08610035 Na 6.42720918 3.13451644 3.18771996 -0.02938575 0.14950691 0.11370320 Na 12.74820342 0.03666074 0.03884640 -0.07246687 -0.07193397 -0.06800458 Na 15.88405825 3.15667354 0.04111406 0.08093706 0.07313141 -0.07393545 Na 15.96236630 0.02693459 3.22795346 0.06890204 -0.07705035 0.05372821 Na 12.74487426 3.18444361 3.19242376 -0.11155776 0.10868683 0.10069951 Na 0.02568493 6.42835710 0.02158511 -0.06995020 -0.01251538 -0.06757217 Na 3.20464512 9.54374396 0.02482936 0.09357110 0.01752136 -0.07276618 Na 3.15114712 6.37607882 3.12901911 0.13947016 -0.01085686 0.14634700 Na 0.02611602 9.46233138 3.21335712 -0.07791066 0.03874714 0.08390054 Na 6.37709086 6.44741137 0.02430221 0.02146774 0.00282339 -0.05167226 Na 9.61518541 9.59828579 0.03576747 -0.03845551 -0.02970358 -0.04639731 Na 9.52791570 6.30765746 3.19732042 -0.01303377 0.05461657 0.12626363 Na 6.36796978 9.49335949 3.21654476 0.04347295 0.03060722 0.11496972 Na 12.73834025 6.36455157 0.03554075 -0.08955765 0.00480844 -0.07540748 Na 15.88917768 9.57110115 0.05516338 0.07119950 -0.03109016 -0.07138793 Na 15.92263193 6.39155285 3.21395912 0.06744512 0.01132457 0.08442475 Na 12.71216518 9.52242157 3.14873739 -0.12324157 -0.01536689 0.15359540 Na 0.04450880 12.75676021 0.06049420 -0.08242678 -0.07133316 -0.07607046 Na 3.18368501 15.96651364 0.00782618 0.07411155 0.06742191 -0.07298510 Na 3.12176694 12.79456925 3.15811434 0.15134930 -0.13793670 0.10834159 Na 0.03993902 15.96158175 3.18658711 -0.09064039 0.07648524 0.06097983 Na 6.46095038 12.78985466 0.03198041 -0.02098881 -0.11045978 -0.05603199 Na 9.49286712 15.96245670 0.01030391 0.01834757 0.05161513 -0.04319557 Na 9.54901624 12.74027398 3.23733783 -0.01875667 -0.12066022 0.11697412 Na 6.37371904 15.91675186 3.24606890 0.01120577 0.06026014 0.08852816 Na 12.79975129 12.72414695 0.01555886 -0.11719198 -0.05571929 -0.10210797 Na 15.90719248 15.91485761 0.05903541 0.05227431 0.05415408 -0.05545837 Na 15.90545920 12.73387369 3.12488669 0.10277796 -0.07665597 0.11249417 Na 12.78339213 15.87808871 3.16426820 -0.10444531 0.09592118 0.08494839 Na 0.05111855 0.06361035 6.37942599 -0.07419860 -0.07729973 0.02170593 Na 3.22047100 3.17676823 6.37634916 0.12192806 0.15231525 0.03735498 Na 3.14201308 0.00285863 9.60092474 0.12035678 -0.06159113 -0.03507095 Na 0.01116364 3.16132800 9.52916791 -0.07155172 0.12251873 -0.01704209 Na 6.35155089 0.05193198 6.36087755 0.01755495 -0.06124932 0.04497818 Na 9.54392930 3.14901650 6.35484694 -0.01737124 0.14108083 0.04311637 Na 9.55785337 0.05377280 9.57740207 -0.01872250 -0.05592857 -0.03047986 Na 6.47386111 3.23727092 9.58609431 -0.02680232 0.11572712 -0.03965249 Na 12.74473617 0.06335190 6.34658975 -0.08684422 -0.06836031 0.03431826 Na 15.97916982 3.19938049 6.35550891 0.05683474 0.08948887 0.03010209 Na 15.94062477 0.00936557 9.56352044 0.04936850 -0.05279679 -0.02264591 Na 12.78342158 3.24471414 9.61321459 -0.12416005 0.10632206 -0.05059760 Na 0.01878535 6.44247390 6.34736755 -0.02933172 -0.01426662 0.04351383 Na 3.24419973 9.61308853 6.30947576 0.10654299 -0.05667308 0.03481396 Na 3.21476956 6.37714243 9.58332110 0.12845058 0.02336392 -0.05476583 Na 0.04529861 9.56974971 9.54315990 -0.05833790 -0.03641367 -0.02999904 Na 6.34204428 6.40648473 6.30719057 0.03117987 0.00369400 0.05607620 Na 9.61536641 9.55355814 6.44417492 -0.03506979 -0.02564768 -0.01351276 Na 9.57109466 6.37743494 9.53052431 -0.02885868 0.02294128 -0.01740093 Na 6.41938499 9.56048852 9.54247892 -0.00431741 -0.06608998 -0.01133016 Na 12.67980595 6.32467673 6.36444402 -0.09094615 0.03761471 0.02976534 Na 15.87389465 9.61459510 6.32637466 0.04361770 -0.03953722 0.02718101 Na 15.96510651 6.37652478 9.55031952 0.04051216 0.01801939 -0.02650247 Na 12.79151260 9.56694548 9.57311693 -0.14154741 -0.02985125 -0.03723405 Na 0.04625319 12.76166282 6.43526563 -0.10254474 -0.10505904 -0.02325794 Na 3.13791696 15.87755269 6.33636116 0.12553851 0.08734251 0.03306393 Na 3.17602522 12.68609174 9.44619398 0.13328505 -0.07659686 0.04331093 Na 0.03419359 15.97747870 9.48858783 -0.05403964 0.05292372 0.01327888 Na 6.37157989 12.71891163 6.46871967 0.03940516 -0.11001063 -0.03481084 Na 9.59392482 15.92659522 6.37390870 -0.01876011 0.03666906 0.01962846 Na 9.50405857 12.68203346 9.60290891 0.03598008 -0.09414849 -0.03957000 Na 6.44616250 15.92298761 9.55403715 -0.01990731 0.05300141 -0.02004385 Na 12.77037153 12.75368678 6.39993118 -0.13023470 -0.11871321 0.02070988 Na 15.91959927 15.91875892 6.38716380 0.06635133 0.04982646 -0.00150187 Na 15.97500990 12.73861218 9.57895887 0.06640586 -0.07352176 -0.02446238 Na 12.78505209 15.97490287 9.50969607 -0.10290505 0.05125234 0.00749400 Na 0.04284444 0.06091487 12.73108530 -0.08940144 -0.09118322 -0.05873678 Na 3.15730285 3.20561075 12.74394237 0.13550407 0.11078195 -0.11942701 Na 3.13353123 0.05531420 15.95212660 0.07693119 -0.07862043 0.07677913 Na 0.03049087 3.16028442 15.85950540 -0.09323221 0.07811981 0.08569429 Na 6.31621414 0.01530736 12.74535572 0.02992459 -0.07513657 -0.08825217 Na 9.55864829 3.19684923 12.73754095 -0.00692737 0.12476370 -0.10555728 Na 9.55415826 0.02134907 15.98160217 -0.01262257 -0.07111145 0.03963918 Na 6.43125519 3.13286614 15.86069294 -0.01200714 0.11130191 0.08047173 Na 12.71863685 0.01243338 12.69539823 -0.07671593 -0.10121281 -0.05703279 Na 15.87629002 3.13244429 12.76909135 0.09812741 0.09579409 -0.07361745 Na 15.90553141 0.02129118 15.97812757 0.03339950 -0.04218599 0.03433955 Na 12.68826550 3.12136539 15.94252481 -0.06943760 0.09212648 0.08274539 Na 0.06141918 6.41146205 12.74623417 -0.09163282 0.00920354 -0.09619818 Na 3.12688460 9.59870847 12.69862544 0.16325948 -0.02069538 -0.10580434 Na 3.12773789 6.39087507 15.91568037 0.11090760 0.00347102 0.07754538 Na 0.04681752 9.60810250 15.94053714 -0.07227526 -0.01916594 0.05915539 Na 6.35864188 6.36163020 12.77883388 0.02370270 0.03379914 -0.13578359 Na 9.56727151 9.48533711 12.72997292 -0.02155374 -0.00559787 -0.10863648 Na 9.57640398 6.36333694 15.98337868 -0.02041623 0.01349292 0.04180075 Na 6.36345097 9.49316118 15.88939946 0.02798059 0.00508198 0.03892059 Na 12.76270616 6.41995403 12.78597985 -0.12371983 -0.00593844 -0.12421360 Na 15.86276010 9.57496957 12.68421377 0.08363967 -0.03155630 -0.05268196 Na 15.86296757 6.31381925 15.95511685 0.05705047 0.02371576 0.04920610 Na 12.71782000 9.57034198 15.93436521 -0.08103574 -0.01001239 0.06739517 Na 0.00216638 12.72148137 12.71843722 -0.08678768 -0.04551897 -0.07384808 Na 3.14971849 15.90259256 12.74439831 0.09017274 0.06104236 -0.09191421 Na 3.21119729 12.67802743 15.98472600 0.08376050 -0.05220888 0.06793479 Na 0.02941155 15.96230547 15.96337456 -0.03025776 0.02174665 0.03042957 Na 6.41700244 12.72327973 12.68868161 -0.01704444 -0.11535463 -0.08015022 Na 9.56336689 15.91076773 12.75145374 -0.00994635 0.07613849 -0.09382335 Na 9.58659945 12.78966403 15.92858391 -0.03763760 -0.11177368 0.06147486 Na 6.33694412 15.92126036 15.91585151 0.01180766 0.04768101 0.04628749 Na 12.74786517 12.78712020 12.73334384 -0.11191698 -0.10403210 -0.10662608 Na 15.96059460 15.93402339 12.74379528 0.05627180 0.06455664 -0.04697116 Na 15.94260929 12.68093416 15.90574936 0.05796102 -0.04080146 0.06522332 Na 12.69840482 15.98286270 15.96375599 -0.03041487 0.05850814 0.05829189