108 Lattice="16.46640875095527 0.0 0.0 0.0 16.46640875095527 0.0 0.0 0.0 16.46640875095527" Properties=species:S:1:pos:R:3:forces:R:3 energy=-103.28046633475834 stress="-4.060839686767248e-05 -1.5588452870889525e-05 -5.0636830188197885e-06 -1.5588452870889525e-05 -0.00014290909183289023 -1.3881899687775905e-05 -5.0636830188197885e-06 -1.3881899687775905e-05 -9.909413963502689e-05" pbc="F F F" Na 0.01196165 0.01315578 0.05435528 0.04161546 0.04052565 0.05082660 Na 2.76964862 2.76703265 0.01947946 -0.03378698 -0.03445061 -0.01665086 Na 2.78464206 0.00829354 2.74912531 -0.03044549 0.01319676 -0.00759374 Na 0.00316504 2.79310941 2.73120738 -0.00737583 -0.04328450 -0.01013112 Na 5.54001257 0.06669873 0.05396816 -0.01695492 -0.01528582 -0.02377065 Na 8.28013335 2.69446657 0.03968012 -0.02381197 0.06099892 -0.04852973 Na 8.18354142 0.02035452 2.73049387 0.03102935 -0.03028096 0.03012068 Na 5.53499754 2.71661170 2.75280360 -0.02744888 0.03177171 0.00370926 Na 10.92518051 0.00578628 0.00028049 0.04928960 0.01980298 0.05780945 Na 13.73203601 2.71238422 0.02228960 -0.04063942 -0.01627422 0.03125980 Na 13.76367477 0.02340150 2.78375997 -0.05576190 0.02827400 -0.03485872 Na 10.95614615 2.74954857 2.77140028 0.04156422 -0.03369714 -0.02191917 Na 0.02932120 5.53304193 0.01441981 0.02026936 -0.01615464 -0.00807990 Na 2.75719054 8.26941213 0.03400842 -0.02582317 -0.01751879 -0.01804261 Na 2.70501702 5.44095291 2.75960560 0.04182403 0.04427684 -0.02098522 Na 0.00227082 8.19301160 2.71639006 -0.01324486 0.02686570 0.02869354 Na 5.45227326 5.53741614 0.04661246 0.02556540 -0.03441116 -0.02054056 Na 8.27001926 8.20618529 0.00894342 -0.01297543 0.01402456 -0.01041385 Na 8.21434070 5.44382759 2.73957987 0.03041799 0.02085415 -0.02143509 Na 5.54263020 8.27148274 2.76005395 -0.04286479 -0.04123260 -0.03948136 Na 11.03174717 5.46787211 0.01273317 -0.02117940 -0.02009192 -0.02734771 Na 13.67196264 8.23139110 0.01716767 -0.00029802 0.01230029 0.01302284 Na 13.67578070 5.46954965 2.75997330 0.03736321 -0.01336671 -0.00706660 Na 11.01317141 8.22749347 2.69191679 -0.02364982 0.01817592 0.04766274 Na 0.00836535 11.00797520 0.03625103 0.02516901 0.01435657 0.03193005 Na 2.76881305 13.72659099 0.01042727 -0.02063936 -0.02317629 0.03484158 Na 2.75307139 10.96540624 2.71371415 -0.04138735 0.03451852 0.01281567 Na 0.05079708 13.77477633 2.79721268 0.01493139 -0.03691850 -0.04843615 Na 5.45954038 10.97233017 0.02283388 0.04126788 0.01345426 -0.01557467 Na 8.23843773 13.67207028 0.07538595 -0.03364934 0.00541405 -0.01636542 Na 8.21865543 10.98958085 2.78661506 0.00437671 0.00365321 -0.02384588 Na 5.47880600 13.73536805 2.77130967 0.00628658 0.01490526 -0.01412483 Na 10.92569888 10.97556330 0.05284947 0.06608474 0.03212066 -0.03166379 Na 13.72585239 13.74793001 0.02517280 -0.05975524 -0.04692728 0.04069887 Na 13.75857154 11.01817672 2.72737043 -0.02743457 0.00783203 -0.01466741 Na 10.92471998 13.72455084 2.71866959 0.06376472 0.01262026 0.01785253 Na 0.00191400 0.03867787 5.44088767 0.03032039 0.02189479 -0.02079703 Na 2.78014526 2.78390400 5.52144765 -0.04814150 -0.05869934 -0.05144615 Na 2.74809829 0.00049186 8.20640436 -0.03650977 -0.01372881 0.02055084 Na 0.01975262 2.70119653 8.19782081 -0.01385911 0.01064071 0.03077671 Na 5.48914762 0.04014263 5.50599089 0.02343458 -0.03509926 0.00034071 Na 8.27163108 2.77035447 5.53954917 -0.03225465 -0.01849074 -0.01438490 Na 8.27432447 0.02670480 8.26345602 -0.04135560 -0.02741280 -0.01637108 Na 5.45314429 2.74696197 8.20862330 0.03640040 -0.00857266 0.04958778 Na 10.95749089 0.00762901 5.45408118 0.02449173 -0.03002272 0.02159274 Na 13.68774655 2.71489955 5.52237040 0.01588780 0.03180693 -0.00453042 Na 13.73963771 0.03467218 8.24633896 -0.04153961 0.01612402 0.00759839 Na 10.97863132 2.78174557 8.20069560 0.05510395 -0.01963995 0.04048306 Na 0.01788660 5.46321703 5.49058023 -0.02322585 0.01045991 0.01363341 Na 2.79025580 8.21758352 5.47903731 -0.05643657 -0.00036768 -0.02059948 Na 2.79455843 5.45362292 8.21255752 -0.06116102 0.00407321 0.02668320 Na 0.05360328 8.20267605 8.22070965 -0.02572332 0.02579015 -0.02900351 Na 5.46492853 5.50963567 5.49025210 0.04203688 -0.02369035 -0.01754708 Na 8.21166666 8.19879180 5.43590721 0.00838419 0.01549008 0.04486827 Na 8.26582119 5.50275470 8.28141086 -0.03945162 -0.00807001 -0.02614070 Na 5.44064741 8.18450810 8.26212707 0.04249542 0.03561496 -0.03872403 Na 10.95466834 5.54261931 5.52599377 0.05206281 -0.01473044 -0.02647275 Na 13.72660127 8.27056105 5.44109635 0.00075032 0.01203490 0.02664665 Na 13.74402661 5.54065095 8.28441139 0.00893591 -0.01276542 -0.03869953 Na 10.96327894 8.23115935 8.25008908 0.03606820 0.01483707 -0.00954582 Na 0.03378410 10.99867528 5.50246227 -0.01672217 -0.02006918 -0.02461523 Na 2.69453814 13.72469575 5.44395100 0.02856170 0.02096565 0.03273217 Na 2.78061676 10.96332874 8.19671670 -0.05859424 0.03683094 0.01216724 Na 0.04114587 13.71278444 8.25787044 0.01726581 -0.02665707 -0.00254689 Na 5.46091584 10.98267061 5.44182110 0.01738781 0.01460547 0.03693043 Na 8.26423780 13.72200102 5.53987962 -0.03992161 0.04144176 -0.02863102 Na 8.23809124 10.97597279 8.18411537 -0.03958088 -0.02021219 0.02695145 Na 5.45513516 13.67452168 8.22718543 0.00241934 0.03731572 -0.02549421 Na 10.92671124 11.02152365 5.53318210 0.06944651 -0.04181626 -0.06251590 Na 13.69851604 13.67955617 5.47865048 -0.03436549 -0.01877244 0.01519299 Na 13.65390077 10.96484379 8.28394955 0.01915615 0.00874185 -0.02693328 Na 10.92991997 13.73038968 8.23896048 0.05003373 0.02593020 0.01652398 Na 0.05284626 0.06771086 11.06660437 0.01674685 -0.00920747 -0.03345718 Na 2.69792758 2.74690196 11.02489122 0.03329235 0.01344480 -0.01444385 Na 2.77877988 0.01275000 13.73502661 -0.01999705 0.00564317 0.00704348 Na 0.04561659 2.73851389 13.75406120 0.02132101 0.04113316 -0.01283347 Na 5.43823446 0.01521467 11.00313284 0.03204709 -0.01083187 -0.00911509 Na 8.24742887 2.75022119 10.93925576 -0.01600896 -0.01296233 0.04930385 Na 8.27455289 0.01172441 13.73076327 -0.00649866 0.02185248 -0.03948226 Na 5.49738583 2.69211689 13.75290561 0.00986095 0.02898865 -0.00568868 Na 10.95243455 0.02144482 10.94530177 0.05338305 0.00064490 0.03408643 Na 13.73895727 2.78445467 11.00606842 -0.01276507 -0.03360839 -0.01882722 Na 13.67845766 0.05248289 13.67587590 -0.03560231 0.02332463 -0.03117497 Na 10.97162893 2.74542425 13.75244735 0.00408223 -0.02362808 -0.01023416 Na 0.01557349 5.54107517 10.93306692 -0.00987828 -0.04801956 0.05488272 Na 2.69071996 8.24240842 10.92564991 0.01335049 -0.02602152 0.06393379 Na 2.79216215 5.51877576 13.75525467 -0.04259962 -0.02323432 -0.00902325 Na 0.04441955 8.20957142 13.76984065 0.02316435 -0.00794771 -0.02313568 Na 5.50695692 5.52842532 10.99833897 -0.02995759 -0.05591019 0.01823845 Na 8.23719441 8.20181267 10.92623398 -0.01345506 0.03568723 0.05913073 Na 8.25619626 5.45468628 13.70013551 -0.01345727 0.02012483 0.01935559 Na 5.43841491 8.23117356 13.68971292 0.04295123 0.00884882 0.01573098 Na 11.02317329 5.54261575 11.02581223 -0.02306724 -0.05509682 -0.03180086 Na 13.73597523 8.22060405 10.99510159 0.01404296 0.05163829 0.03955140 Na 13.62700944 5.47496956 13.69049860 0.01778378 -0.00105273 0.02094130 Na 10.97573083 8.23172140 13.68784201 0.03162050 0.03556923 0.03369071 Na 0.03061615 10.93545276 11.01808914 0.00162564 0.05413420 0.00575387 Na 2.75051540 13.76764780 10.95262125 -0.02583872 -0.02955419 0.06492593 Na 2.75335767 10.94998765 13.74060813 -0.03490833 0.06244632 -0.00330868 Na 0.00416037 13.76570681 13.75240543 0.07079169 -0.06812806 -0.06761172 Na 5.42428113 10.93310131 10.94148430 0.04016481 0.04867552 0.05938243 Na 8.20231018 13.68586291 10.94846490 -0.02476068 0.02158629 0.03081234 Na 8.27609287 10.94852588 13.67144666 -0.07309019 0.02818459 0.02542213 Na 5.46798195 13.74400059 13.74528502 0.01223946 -0.06234994 -0.05228660 Na 10.93255322 11.00438718 11.01477995 0.07302347 -0.00765674 -0.01001900 Na 13.71985524 13.72379548 10.92326512 -0.03753424 -0.01988858 0.03046945 Na 13.76583983 11.06694286 13.74742670 -0.05722562 -0.03113603 -0.06295211 Na 10.97248092 13.70855901 13.71144174 0.01165942 -0.00834478 -0.03524030