108 Lattice="16.46640825692272 0.0 0.0 0.0 16.46640825692272 0.0 0.0 0.0 16.46640825692272" Properties=species:S:1:pos:R:3:forces:R:3 energy=-103.30031929824854 stress="-0.00014015110616486974 -8.892129679107371e-06 4.443772823704688e-06 -8.892129679107371e-06 -0.00016303569956178492 -1.0321790183409736e-05 4.443772823704688e-06 -1.0321790183409736e-05 -7.986741263067694e-05" pbc="F F F" Na 0.03965627 0.03861262 0.04328428 0.05346033 0.03165399 0.02798130 Na 2.77013564 2.78613669 0.00094202 -0.00595811 -0.02271735 -0.01371449 Na 2.78004737 0.04005673 2.77700698 -0.03544986 -0.01710594 -0.01325716 Na 0.03801812 2.74217476 2.70170287 -0.01722757 -0.01118555 0.04426732 Na 5.43225349 0.03516364 0.02692332 0.00100151 0.00595588 0.00686127 Na 8.22120312 2.70337470 0.03354044 0.00654035 0.01330700 -0.02435540 Na 8.24404132 0.00068342 2.69590625 -0.02415187 -0.02376352 0.03751955 Na 5.47588565 2.75562027 2.77238242 0.01086046 -0.01296447 -0.01324731 Na 10.95584159 0.00195119 0.04310793 0.02446015 0.01255286 -0.00171081 Na 13.69454190 2.71363341 0.01322236 -0.02800845 0.00293473 0.01981966 Na 13.70303954 0.00497038 2.72091153 -0.02801277 0.01535788 0.01874316 Na 10.98426365 2.72810683 2.77987816 0.00559303 -0.01268468 -0.03824534 Na 0.04446387 5.44996159 0.08351905 -0.01661536 0.01045220 -0.01443851 Na 2.69899683 8.22646862 0.03475601 0.02836741 -0.00811831 -0.01445799 Na 2.72912793 5.49797186 2.77540521 0.01526830 -0.00786105 -0.01620813 Na 0.02092849 8.20059959 2.77982094 -0.03670760 0.02723500 -0.01976781 Na 5.54308581 5.50242593 0.06005901 -0.02142070 0.01046762 -0.02470915 Na 8.25619986 8.28533248 0.01930581 -0.01723057 -0.01579210 -0.00644349 Na 8.25744172 5.48361064 2.74087333 -0.01113765 -0.01948604 -0.00447455 Na 5.49611706 8.22530130 2.77238483 -0.02412666 0.02740844 -0.02679612 Na 10.96939565 5.49984863 0.04843808 0.01429789 -0.01810193 -0.03074582 Na 13.74072196 8.24585223 0.05271911 -0.04348397 0.00121579 0.03243429 Na 13.69359103 5.43615189 2.75820627 0.03114880 0.01831711 -0.03801480 Na 10.92854971 8.19809655 2.74945004 0.06304470 0.06072147 -0.03576927 Na 0.01823072 10.96253348 0.05044326 0.01803138 0.03453510 0.03898900 Na 2.71616942 13.76312133 0.04471032 0.00039144 -0.04645830 0.03127968 Na 2.71991069 10.99490903 2.78660227 0.01598142 0.00749785 -0.03993848 Na 0.00361682 13.76198827 2.78847624 0.01232381 -0.02709303 -0.03511247 Na 5.48538123 10.96557032 0.03231369 -0.02012654 0.02501778 -0.02531121 Na 8.23069641 13.76627338 0.03062580 0.01045728 -0.03147521 0.01508065 Na 8.17953118 11.03071389 2.79308776 0.05293269 -0.01157304 -0.04976239 Na 5.54303315 13.69744652 2.69716749 -0.07685431 0.03664226 0.02505580 Na 10.93277453 10.99962434 0.00726311 0.04546575 0.00878956 0.01163241 Na 13.71854297 13.70059994 0.03211847 -0.02916282 -0.04159976 0.03599122 Na 13.72276574 10.97077110 2.75872156 0.00517919 0.01230334 -0.03055789 Na 11.01678038 13.72551057 2.73041495 -0.01478618 0.01494865 -0.00923278 Na 0.01662143 0.01245770 5.47063013 0.01926257 0.02393020 -0.00530543 Na 2.73959580 2.77699859 5.51955792 -0.02014698 -0.01951351 -0.02675777 Na 2.78590170 0.04093109 8.17906467 -0.01108495 -0.02499270 0.04223799 Na 0.04073581 2.69991092 8.27490227 -0.02641318 0.03675473 -0.01516994 Na 5.48705619 0.02416750 5.50742056 0.01451247 -0.03263617 -0.03131212 Na 8.23460084 2.70695301 5.49400793 0.01000730 0.03704585 -0.01190028 Na 8.18286032 0.04326796 8.23256714 0.01206956 -0.04023982 0.01848149 Na 5.52042743 2.79859361 8.19004187 -0.03925575 -0.04074101 0.02446044 Na 10.96059721 0.05317332 5.54039632 0.02443539 -0.04805064 -0.02772605 Na 13.74172320 2.72264155 5.45867350 0.01089327 0.01862366 0.02535936 Na 13.77368810 0.03119619 8.18144605 -0.03114598 0.00818640 0.03067206 Na 11.01112630 2.73350534 8.25767272 0.01133639 0.02932251 -0.02262906 Na 0.02410198 5.52176535 5.50013097 -0.05284637 -0.04819525 0.00477136 Na 2.69106772 8.21188590 5.53724060 0.03869964 0.03882021 -0.02224024 Na 2.76056547 5.51461269 8.17971947 -0.01165493 -0.02387306 0.05266614 Na 0.02937299 8.25733713 8.27160790 -0.03621435 0.02956265 0.00183170 Na 5.49575539 5.53457299 5.45816943 0.01092250 -0.01101127 0.00412872 Na 8.26042345 8.27575713 5.41295750 -0.01339434 -0.01579139 0.04293076 Na 8.18747417 5.50711803 8.22278080 0.05878361 0.01249196 -0.03062540 Na 5.52166654 8.27554738 8.23710972 -0.03166720 -0.04071819 -0.01651957 Na 10.99730263 5.53573596 5.45354904 -0.00078611 -0.06013906 0.05966108 Na 13.71208103 8.20272574 5.45683553 0.02439638 0.02101545 0.00595829 Na 13.77468444 5.53273062 8.25969047 -0.01285417 -0.04465475 -0.01953482 Na 10.96514132 8.26185577 8.22347877 0.02046349 -0.02149328 -0.02212646 Na 0.05149749 11.01940360 5.47906212 -0.05159141 -0.01726557 0.01616563 Na 2.69946435 13.69603062 5.50872295 0.03284126 0.06496461 -0.03044663 Na 2.79697007 11.04082539 8.18801656 -0.05408345 -0.03435875 0.05249145 Na 0.01738185 13.70369662 8.29442294 0.00743099 -0.00752076 -0.00384902 Na 5.46444251 11.00319649 5.52364347 -0.01425200 -0.00360684 -0.03553503 Na 8.20007402 13.72327413 5.43611680 0.03876660 0.02401688 0.04057764 Na 8.18889027 10.93342892 8.18386262 0.03842441 0.08222539 0.00346013 Na 5.47219174 13.75585036 8.21660338 0.01042732 0.02364351 0.02152797 Na 11.02267027 11.00187468 5.47206620 -0.00235390 0.02842043 0.02003126 Na 13.75265176 13.75154943 5.43612241 -0.03408808 -0.02821228 0.02896846 Na 13.75095065 10.98141545 8.23675616 -0.00070170 0.02504223 -0.02924658 Na 10.96106136 13.76267104 8.27215299 0.04007636 -0.02866787 -0.04458435 Na 0.02520673 0.04018319 10.95220903 0.02141580 -0.01006421 -0.00545422 Na 2.75175226 2.76747220 11.00746482 0.02513318 0.00030237 -0.05249811 Na 2.75078408 0.05065543 13.63180614 -0.00439114 -0.02057189 0.01916058 Na 0.08225977 2.71016019 13.65491622 -0.02762053 0.00371711 0.00941157 Na 5.48268454 0.03614802 11.01011283 0.01592768 -0.01991124 -0.02796675 Na 8.23022109 2.74482891 10.94921273 0.03095918 -0.01800715 0.05915522 Na 8.25245603 0.01807973 13.76771066 0.00974188 0.02062487 -0.03635427 Na 5.51906430 2.69682093 13.70763231 -0.01798619 0.04638726 0.03051839 Na 10.96406857 0.00657226 10.98399048 0.02469844 -0.01595271 -0.00716098 Na 13.73936440 2.69622110 10.99861387 -0.00071356 0.03782791 -0.00136021 Na 13.72300796 0.00934224 13.67511967 -0.02551326 0.00647120 -0.01555278 Na 11.03229657 2.72296746 13.75953207 -0.01756192 0.02417897 -0.02353730 Na 0.04254694 5.48221590 11.02212326 -0.04133666 -0.00430395 -0.02887171 Na 2.70363849 8.19505753 10.97218814 0.02975306 0.02590445 0.01469293 Na 2.70149645 5.48133500 13.73711046 0.05041027 -0.00795101 0.01889574 Na 0.00106345 8.21976001 13.75786262 0.02501046 0.02633762 -0.03326517 Na 5.54125165 5.46969459 10.94521263 -0.05204392 0.01421961 0.04938433 Na 8.23179692 8.26882119 10.98508150 0.00508561 -0.01276904 0.02727867 Na 8.22778931 5.50567054 13.71793962 0.03162470 -0.02676362 0.01556695 Na 5.49317062 8.18041266 13.70711972 -0.00359001 0.02638191 0.00968035 Na 10.95779256 5.52754799 10.96131761 0.03053628 -0.03767555 0.03478461 Na 13.70358999 8.21497974 10.95294337 0.03346814 0.03433156 0.02943813 Na 13.74487719 5.53643599 13.69644474 -0.02809533 -0.01434079 -0.03125644 Na 11.01303591 8.26288218 13.70081271 -0.01284500 -0.01513201 0.02833933 Na 0.07935227 11.05747485 11.03248415 -0.02130562 -0.06015119 -0.00030840 Na 2.71671367 13.72013515 11.01843917 0.05382519 0.02842532 -0.00731477 Na 2.80381397 10.95424855 13.72514581 -0.02733994 0.03252183 0.01982860 Na 0.04729305 13.76899114 13.67047075 0.02828406 -0.03050524 -0.01072371 Na 5.47475305 10.95457499 10.93699729 0.00752714 0.05722730 0.06115509 Na 8.25446979 13.74950720 10.92388395 -0.01755060 -0.02811491 0.03762503 Na 8.25489088 11.01085849 13.75778602 -0.02284262 0.00456861 -0.02170529 Na 5.54251303 13.75787137 13.69112009 -0.01087309 -0.03522781 -0.03530688 Na 10.97649125 10.92868004 10.95300372 0.03227906 0.07794683 0.03905796 Na 13.74875546 13.70808021 10.97802395 -0.03687986 -0.05038506 0.02422367 Na 13.74478977 10.93788110 13.77365732 -0.04645397 0.02863019 -0.06670864 Na 10.99330935 13.74363771 13.67409121 0.01570356 -0.04989629 -0.04310867