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=-103.292848732925 stress="-0.00010449449984468392 -4.814459980434608e-06 -1.4775121729692192e-05 -4.814459980434608e-06 -9.150240221189375e-05 1.3927598714924263e-05 -1.4775121729692192e-05 1.3927598714924263e-05 -0.00012616928317640762" free_energy=-103.292848732925 pbc="F F F" Na 0.00670663 0.01500364 0.02325828 0.02764659 0.02863806 0.03385067 Na 2.74394574 2.69307027 0.01850324 -0.01783121 0.03782946 -0.03018063 Na 2.74524352 0.00813707 2.71774294 -0.01476031 -0.01345242 0.02307987 Na 0.03653229 2.71263381 2.76082647 -0.01243367 0.01905489 -0.02717529 Na 5.45209206 0.01248115 0.04373806 0.04043078 0.00206695 0.01130491 Na 8.23371692 2.77981865 0.02078346 -0.01430585 -0.05158441 -0.03618620 Na 8.28113696 0.04174059 2.77675317 -0.03368365 -0.03303662 -0.06298103 Na 5.50116378 2.76650733 2.68271146 -0.02161037 -0.02478822 0.03298455 Na 11.01939260 0.04675188 0.03438514 -0.00986177 0.02076077 0.02296535 Na 13.73137708 2.71395523 0.03282422 -0.01198655 0.00593324 0.02224981 Na 13.73003691 0.00141797 2.77826150 -0.03115548 0.02621526 -0.01042392 Na 10.96368277 2.78041396 2.73352545 0.07163381 -0.03589867 0.00402250 Na 0.00414061 5.45339315 0.01872239 0.03271580 -0.02036108 0.02151493 Na 2.74808510 8.19404755 0.04286997 -0.02873313 0.03346278 -0.03757926 Na 2.79747789 5.49104036 2.75816728 -0.05497901 -0.02426826 -0.00649604 Na 0.04289673 8.18673220 2.71485306 -0.03356143 0.02495399 0.02188811 Na 5.47336876 5.53672629 0.02504968 0.02054045 -0.02330816 -0.05041462 Na 8.27746964 8.25092027 0.03988796 -0.01659525 -0.04159629 -0.04319570 Na 8.27134463 5.44118737 2.73894766 -0.02884418 0.02322274 -0.00904494 Na 5.52929524 8.18014936 2.73391846 -0.02108531 0.02887345 0.04510771 Na 10.96672861 5.44939859 0.01020756 0.05159052 0.01708754 -0.03429299 Na 13.70799869 8.27217408 0.04566930 -0.02081439 -0.01324600 -0.01873820 Na 13.76138551 5.50990410 2.70782488 -0.00938073 -0.01096198 0.03704958 Na 10.99926213 8.23022825 2.69504975 0.02236831 -0.02385419 0.04540259 Na 0.03245801 11.01498196 0.02783640 0.02685173 -0.02457631 0.02733380 Na 2.75520799 13.67346503 0.01364946 0.01764367 -0.01433781 0.03277979 Na 2.76728512 10.93474767 2.79472522 -0.01628252 0.03830872 -0.02328725 Na 0.02295838 13.70094615 2.75694991 0.03565473 -0.01330420 -0.00547044 Na 5.48616469 10.94739546 0.04523080 -0.00685616 0.01005606 -0.02929620 Na 8.14185757 13.76555709 0.04232194 0.01368687 -0.03381164 0.01578131 Na 8.22701035 10.93864184 2.70110114 -0.01749334 0.05163651 0.04973275 Na 5.49864076 13.73074935 2.76649731 -0.03754659 0.00320799 -0.01335349 Na 10.93259372 10.97652029 0.05085239 0.03949048 0.06197243 -0.05167694 Na 13.72888326 13.74374480 0.01980246 -0.04824256 -0.05561422 0.03530622 Na 13.70260796 10.97735129 2.72285308 0.02469664 0.03732012 0.00768752 Na 10.95577542 13.68666446 2.70682763 0.01796186 0.02881291 0.00482024 Na 0.01966788 0.03389506 5.44782790 0.03105095 0.01696650 0.02038370 Na 2.75699490 2.78205982 5.54257040 -0.00530502 -0.04699749 -0.04777863 Na 2.77912330 0.00767554 8.22816648 -0.06272174 -0.02442647 0.00686214 Na 0.02418273 2.71822991 8.26788324 -0.02307878 -0.02006973 -0.02371924 Na 5.45785373 0.03294477 5.47613834 0.00959769 -0.01935978 0.00407978 Na 8.18386496 2.66368464 5.44243185 0.01316310 0.04452203 0.04964940 Na 8.24441716 0.02584557 8.28281773 -0.01321443 -0.03121816 -0.03229365 Na 5.46542678 2.78051890 8.27560273 0.01798650 -0.05139400 -0.01518415 Na 10.97529711 0.05256758 5.46701464 0.03090769 -0.02796286 0.02824287 Na 13.74284704 2.70757662 5.51238672 0.00561989 0.03938080 -0.02380139 Na 13.76713005 0.03554967 8.22100633 -0.04774882 0.01081849 0.00844931 Na 10.95319553 2.76122205 8.22548068 0.04092553 -0.03474673 -0.00863909 Na 0.01734562 5.44212713 5.49557179 -0.03437009 0.00256078 -0.00356701 Na 2.71246764 8.20289728 5.53226255 0.04010545 0.00417703 -0.03989738 Na 2.75940586 5.50684080 8.21308314 -0.03054037 -0.01465335 0.01587790 Na 0.03863913 8.23112818 8.21056695 -0.04850114 0.01107588 0.03240563 Na 5.52696809 5.45394991 5.52907654 -0.00637950 0.01446586 -0.03304243 Na 8.28093520 8.17931662 5.44353622 -0.03336667 0.04755468 0.00956775 Na 8.19315107 5.48342365 8.22548457 0.03148058 -0.01273601 0.01504964 Na 5.52026155 8.20670251 8.27161241 -0.01687231 0.02795124 -0.04975850 Na 10.94705294 5.45609802 5.49928920 0.07400710 0.00848507 -0.00305569 Na 13.73318958 8.28783046 5.52856349 -0.01274536 -0.04902319 -0.03241872 Na 13.76138510 5.49445230 8.25777160 -0.00171728 0.00684876 -0.02285230 Na 10.92714035 8.22658536 8.26377427 0.04555833 -0.03706772 -0.01510685 Na 0.02484123 11.01183112 5.50242806 -0.03290374 -0.01725178 -0.02890005 Na 2.74526308 13.72635619 5.53799868 -0.01821735 0.03026029 -0.03053127 Na 2.70679895 10.96130857 8.20243948 0.01599104 0.02290171 0.06099045 Na 0.00676205 13.69716840 8.26174041 0.01666969 -0.01730608 0.01519180 Na 5.47762369 11.02975478 5.55380622 0.02472091 -0.06305610 -0.04421628 Na 8.19938560 13.73228334 5.44213134 0.02902915 0.00337887 0.02745515 Na 8.28132970 10.93221060 8.21615131 -0.05060083 0.05708276 -0.00799260 Na 5.44891063 13.74247337 8.24942988 0.02871542 -0.00874261 0.02248433 Na 10.99434682 10.98243437 5.47787128 -0.02287156 0.00609193 -0.02062842 Na 13.66845589 13.70236725 5.52489170 0.00219596 -0.01300399 -0.03174541 Na 13.67727647 10.96745127 8.20267190 0.02625220 0.01272174 0.02217437 Na 10.99397206 13.72818601 8.20469117 -0.01155808 0.01484236 0.01371737 Na 0.01350150 0.04297156 11.05935371 0.00696880 0.00968336 -0.03462457 Na 2.69501225 2.72900891 10.98531433 0.00712946 0.01846356 0.02067878 Na 2.69483582 0.01785054 13.68585014 0.03418983 0.01493503 0.00182942 Na 0.02976717 2.77418146 13.75954709 0.02500334 0.01516573 -0.01898258 Na 5.44900862 0.01853429 10.92736423 0.01488871 -0.01397101 0.06480430 Na 8.26236906 2.71206669 10.95797802 -0.01705754 0.01799907 0.04615646 Na 8.23919586 0.01549119 13.70869410 -0.01997539 0.03039653 -0.03303593 Na 5.46401963 2.78545609 13.67360347 0.00636673 -0.05963252 0.01026853 Na 11.00920116 0.00928330 11.02262010 0.00549191 -0.02304777 -0.03136937 Na 13.67586497 2.72484990 10.96886017 0.03693098 0.00401154 0.01289736 Na 13.69788647 0.04239959 13.68513804 -0.01494803 0.03122189 -0.00788935 Na 10.97492896 2.75600613 13.70121506 0.01264254 -0.01681985 0.03148066 Na 0.01789471 5.46347779 10.94013874 -0.00389195 0.02537645 0.06513684 Na 2.76235876 8.18297067 10.99261063 -0.03309905 0.02592381 0.01030528 Na 2.79258654 5.53353542 13.77199346 -0.05853159 -0.02239219 -0.00631981 Na 0.03723617 8.26658573 13.76320504 0.01308143 -0.04817440 -0.02936616 Na 5.44035969 5.45429541 10.93982615 0.03752132 0.02036091 0.07542049 Na 8.14139039 8.25461447 11.00324231 0.04458555 -0.03570305 0.03879700 Na 8.25190795 5.45265605 13.75854091 -0.04073330 0.01300193 -0.02595755 Na 5.45217180 8.26886001 13.77066757 0.02855753 -0.02330458 0.01462256 Na 11.02282640 5.45571356 10.95355296 -0.03172499 0.04183312 0.03549852 Na 13.70788626 8.28081623 10.99970557 0.02368903 -0.03719251 0.01603304 Na 13.71411684 5.44699540 13.77605658 -0.02737541 0.01101432 -0.05112452 Na 10.92835670 8.17916581 13.69496693 0.03910924 0.02975147 0.00803300 Na 0.05496598 10.97858853 11.07093527 -0.01777870 0.01170741 -0.04856789 Na 2.73406060 13.75545575 11.01445864 -0.00778212 -0.01014584 0.01581937 Na 2.68044444 10.97214947 13.73564437 0.04050327 0.03704747 0.03074975 Na 0.00314523 13.71880130 13.77320599 0.03030188 -0.02993884 -0.03477063 Na 5.43473573 10.92783968 11.02624109 0.00576384 0.08142008 -0.02916257 Na 8.26558019 13.66399868 10.92533302 -0.02892040 0.00679650 0.03509191 Na 8.22681779 11.02705863 13.75859695 0.02126470 -0.03050512 -0.00620390 Na 5.53510301 13.68780151 13.74323591 -0.02544681 -0.02268351 -0.03799077 Na 10.97934317 10.93152356 10.92845298 0.01907783 0.04607670 0.07290727 Na 13.74939156 13.68797576 10.93569491 -0.03791564 -0.04708292 0.01351770 Na 13.72671370 10.96721741 13.73597504 -0.04546004 0.00479642 -0.03564707 Na 11.00048155 13.66856693 13.67481722 0.01144017 -0.01087334 -0.03155713