108 Lattice="16.466407278462352 0.0 0.0 0.0 16.466407278462352 0.0 0.0 0.0 16.466407278462352" Properties=species:S:1:pos:R:3:forces:R:3 energy=-103.27870861810977 stress="-0.00012262507631493474 2.1871113468603397e-05 -6.603853481680158e-06 2.1871113468603397e-05 -0.00010239168437205092 5.2389608065232277e-05 -6.603853481680158e-06 5.2389608065232277e-05 -0.00011479831532947841" free_energy=-103.27870861810977 pbc="F F F" Na 0.00056631 0.01115962 0.02350103 0.02622973 0.03175841 0.02403921 Na 2.70328174 2.78257803 0.01615627 0.01833251 -0.06503452 -0.02791599 Na 2.69263667 0.03934256 2.74551458 0.01899253 -0.02915609 -0.01971391 Na 0.02358251 2.69432707 2.77522569 -0.02913273 0.04560423 -0.00665475 Na 5.51933911 0.00302392 0.04345492 -0.03516077 0.03776625 0.03069852 Na 8.26879924 2.71182341 0.04918564 -0.02968065 0.01556444 -0.03564801 Na 8.27185656 0.01083030 2.70640437 -0.02369259 -0.03035766 0.03166704 Na 5.43863399 2.74163984 2.79068943 0.02572963 -0.01033691 -0.04605353 Na 11.00499386 0.01171496 0.04879208 0.02255851 -0.00805304 -0.00145509 Na 13.71332646 2.72794311 0.01140812 -0.03529678 0.02767531 0.03729479 Na 13.76615214 0.01132287 2.76305103 -0.03645047 0.02985931 0.00302629 Na 10.95956057 2.70491237 2.70532479 0.05876443 0.04053765 0.03032844 Na 0.05470898 5.50756569 0.01587110 -0.02368236 -0.01090956 0.00787264 Na 2.69447481 8.26934578 0.01737552 0.03423708 -0.01780850 -0.01446536 Na 2.69468775 5.46979579 2.70174887 0.03760469 0.02828169 0.06281675 Na 0.00589600 8.21967274 2.78191735 -0.01358007 0.02655815 -0.01357317 Na 5.49832551 5.46348155 0.02442578 -0.02154238 0.00424689 -0.02601755 Na 8.19348230 8.19900418 0.03952936 0.02219221 0.01742338 -0.03910978 Na 8.17914372 5.46851179 2.78566148 0.03325902 -0.02422980 -0.02595184 Na 5.51481651 8.24968697 2.72526276 -0.04020001 -0.02892546 0.01021724 Na 10.92587857 5.53002363 0.00221004 0.05511045 -0.03030959 0.00784219 Na 13.66649929 8.27931656 0.04653329 0.00979870 -0.02436668 0.00546774 Na 13.76128652 5.52807016 2.79758061 -0.03590020 -0.04309298 -0.06339953 Na 10.93819601 8.22186520 2.72414817 0.03267310 -0.01539524 0.02651485 Na 0.07930565 11.01834577 0.04648222 -0.02302475 -0.01551742 0.01240011 Na 2.74693778 13.67721567 0.02681535 0.02200864 0.00220402 0.00662478 Na 2.74633047 11.01910405 2.73562926 0.02435645 -0.02804958 0.01577029 Na 0.06988326 13.69582241 2.76932024 -0.01876133 0.02150198 -0.02083077 Na 5.49338143 10.93232365 0.03532309 0.00486933 0.06632612 -0.02456644 Na 8.25072952 13.76639943 0.04397916 -0.00320404 -0.05515800 0.02227412 Na 8.23821189 10.95693264 2.76929129 -0.00381269 0.06070018 -0.02240639 Na 5.50108253 13.77264962 2.74345285 -0.01290503 -0.02520510 -0.00450641 Na 10.99857238 10.94532836 0.03744177 -0.03329423 0.03913761 -0.02156164 Na 13.69717265 13.68075110 0.02737106 -0.02491185 -0.04098645 0.02799171 Na 13.74693412 10.95253865 2.75155755 -0.01368217 0.02833816 0.02023068 Na 10.98477299 13.73926298 2.71532585 0.02208345 -0.01679886 0.02216416 Na 0.01253348 0.00464600 5.49918810 0.01247429 0.01607968 0.00746713 Na 2.79003491 2.76403218 5.51895555 -0.05750415 -0.00541041 -0.01103695 Na 2.69459451 0.04215088 8.23523075 0.04054427 -0.04562060 -0.01640736 Na 0.02864232 2.70767270 8.28317557 -0.01508579 0.02732386 -0.01391719 Na 5.49118757 0.00122741 5.43785365 -0.02749187 -0.03909547 0.01445595 Na 8.19166908 2.67240547 5.53431880 0.00973904 0.04414499 -0.02147056 Na 8.20722911 0.02062075 8.18842535 -0.02233059 -0.05044917 0.03101760 Na 5.43798377 2.78117676 8.23290221 0.02832346 -0.02549496 0.00069109 Na 10.98890905 0.03365803 5.50595129 0.00807377 -0.02306636 -0.02496295 Na 13.68520798 2.74777072 5.52074319 0.02787641 -0.00448547 -0.01762558 Na 13.69452978 0.00688583 8.20962666 -0.00038043 0.01013048 0.01350486 Na 10.95831414 2.70414221 8.27520906 0.03197191 0.03042753 -0.02237795 Na 0.01900153 5.53213205 5.57494112 -0.01846821 -0.03686735 -0.03891794 Na 2.79753998 8.26399916 5.50245231 -0.06284631 -0.02677086 -0.04430570 Na 2.71332272 5.53955580 8.23079508 -0.01737427 -0.02966105 0.02426921 Na 0.01476968 8.28482697 8.26227830 -0.04111796 -0.02429384 -0.02544274 Na 5.53508789 5.54798247 5.54429353 -0.03087988 -0.02311434 -0.03066482 Na 8.27685451 8.20564278 5.48911698 -0.00775580 0.01015828 0.01113578 Na 8.28679275 5.53136571 8.27152822 -0.04324267 -0.03853275 -0.01208633 Na 5.45595441 8.22219552 8.24288966 0.03354293 -0.00285580 0.01675869 Na 10.93505349 5.40661331 5.51912338 0.03197025 0.01424763 -0.02531617 Na 13.68276996 8.17536902 5.46840199 0.00191847 0.02898705 0.02324207 Na 13.74225975 5.48453993 8.24458798 0.00353072 -0.01940101 -0.01895173 Na 11.00530960 8.19114899 8.27655243 0.02739295 0.04921687 -0.03004485 Na 0.04849172 11.03526878 5.46501193 -0.04408243 -0.03928072 0.01088466 Na 2.69788293 13.71880917 5.45566310 0.08250025 0.02163031 0.03111387 Na 2.73402501 10.92973043 8.18418843 0.01952316 0.08963398 0.04325879 Na 0.05077139 13.77329103 8.17759212 0.01584775 -0.04129394 0.02880622 Na 5.49833307 10.92407793 5.52637562 0.00303621 0.08457633 -0.03991251 Na 8.22822179 13.77226757 5.45690520 0.01343036 -0.01554589 0.01933582 Na 8.19393822 10.93191317 8.20987751 0.05695376 0.05586141 0.02019594 Na 5.53131637 13.74387414 8.27091253 -0.03255861 -0.01141165 -0.02873369 Na 10.95909208 10.96130358 5.52830545 0.03950194 0.04627899 -0.03217963 Na 13.72707526 13.73103866 5.47721277 -0.03118045 -0.02400093 -0.02009129 Na 13.73211176 11.01732580 8.20971953 0.01187959 -0.02927486 0.01090941 Na 11.01578011 13.73766559 8.24415100 -0.03506988 0.00062024 0.00838102 Na 0.05007466 0.01780950 10.98070434 0.02718057 0.01277029 0.04397215 Na 2.79798137 2.71198579 11.01415287 -0.06773606 0.03962637 0.00990824 Na 2.80031165 0.01008000 13.74473946 -0.04166492 0.01768614 -0.01024486 Na 0.00290749 2.76301745 13.71847720 0.04817221 -0.02870607 -0.02456772 Na 5.43722388 0.04294482 11.00101685 0.02975412 -0.04458175 -0.02330269 Na 8.24521756 2.71151129 10.92538845 -0.03458701 0.03937771 0.06608062 Na 8.19647928 0.02907152 13.72278887 0.00709389 0.01536772 -0.02716530 Na 5.47960251 2.73055643 13.72124447 0.03151154 0.05339182 0.01396127 Na 10.95423970 0.02111099 10.93474319 0.03275139 -0.02499710 0.07356627 Na 13.68103205 2.76240406 10.95836753 0.01091411 -0.01048325 0.05501134 Na 13.74201612 0.02803748 13.71315799 -0.06616672 0.05439957 -0.05640647 Na 10.94735856 2.78782259 13.76348605 0.05102408 -0.04205634 -0.02822634 Na 0.01304293 5.47021161 11.02892350 -0.01087767 0.00362426 -0.02967018 Na 2.69437785 8.24288514 10.96720597 0.02369487 0.01971700 0.05215536 Na 2.73662764 5.54104677 13.72374084 -0.00707205 -0.03873348 0.02016846 Na 0.00220424 8.23184750 13.71362779 0.02260291 0.02557909 -0.01245994 Na 5.43779708 5.53530269 10.94485860 0.05001824 -0.03084095 0.04838542 Na 8.28233322 8.22203320 10.96977316 -0.02747068 0.01814020 0.02761577 Na 8.28140010 5.52681095 13.73159110 -0.05183722 -0.03113571 -0.01113320 Na 5.49939287 8.20032858 13.71463363 -0.00759469 0.02388092 0.01347311 Na 10.98504909 5.53556200 10.99185598 0.04051953 -0.05492298 0.03458057 Na 13.74597393 8.19571231 10.95770741 0.01458567 0.03510874 0.02746183 Na 13.75943992 5.54052527 13.76732837 -0.04224635 -0.02998839 -0.04310363 Na 10.99194350 8.22952328 13.73026717 0.02484703 -0.00005824 0.01384933 Na 0.03697596 10.93796539 10.94299440 -0.01227597 0.10155037 0.05820173 Na 2.76778615 13.72937542 10.96904377 -0.02149164 -0.02056194 0.01268182 Na 2.78755660 11.04022992 13.75452290 -0.04483455 -0.04241156 -0.01772381 Na 0.04788073 13.74813974 13.74129551 0.04297281 -0.05602338 -0.06117078 Na 5.53859532 10.92944878 10.98269313 -0.05265781 0.03539735 0.00826692 Na 8.26218686 13.67942459 11.03172780 -0.01769293 0.01880416 -0.03954131 Na 8.24320409 10.94243585 13.70825330 0.01808242 0.01297994 0.03669446 Na 5.50306559 13.67934095 13.73659275 0.00999992 -0.00501034 -0.02660024 Na 11.01153968 11.00394882 11.01261913 -0.02460492 -0.03970609 -0.05801371 Na 13.68352947 13.67143334 11.01605322 0.01684078 0.02274980 -0.03043688 Na 13.63448988 11.00222227 13.64826058 0.01018337 -0.02248983 0.02431832 Na 10.96429112 13.75517339 13.61601354 -0.00548578 -0.00462656 0.02702048