108 Lattice="27.016871053937116 0.0 0.0 0.0 27.016871053937116 0.0 0.0 0.0 27.016871053937116" Properties=species:S:1:pos:R:3:forces:R:3 energy=-39.01397476347492 stress="-2.1180105648267326e-05 -6.47211927398928e-07 -7.6221269573718954e-06 -6.47211927398928e-07 -2.1304300131319206e-05 -2.2901480077703105e-07 -7.6221269573718954e-06 -2.2901480077703105e-07 -2.3834946111143344e-05" free_energy=-39.01397476347492 pbc="F F F" Cs 0.03593851 0.01125450 0.05284113 -0.01903389 -0.01809713 -0.01741189 Cs 4.48507315 4.53269950 0.03152311 0.04216622 0.03101043 -0.04956560 Cs 4.48344054 0.02902347 4.57467221 0.03451345 -0.05297299 0.02724260 Cs 0.07785673 4.55912019 4.53994974 -0.05761686 0.03176441 0.03590521 Cs 9.08892703 0.05488035 0.08079211 -0.01310416 -0.03646489 -0.04129729 Cs 13.52806264 4.43674876 0.07302402 -0.00952747 0.06011605 -0.04590430 Cs 13.41891435 0.03600546 4.44384323 0.01236757 -0.04217607 0.06415179 Cs 9.00400056 4.41334069 4.46530703 0.00832502 0.08477377 0.06404930 Cs 17.99246066 0.02285424 0.04398385 -0.02868323 -0.03915532 -0.03816486 Cs 22.54602568 4.44772624 0.06371270 0.03608967 0.03505731 -0.04042472 Cs 22.43366867 0.04849755 4.49776772 0.04465120 -0.03817283 0.03032689 Cs 18.00035411 4.58128085 4.45642192 -0.04951827 0.04295384 0.06450676 Cs 0.02774816 9.03368681 0.04868843 -0.03224647 0.00873584 -0.02939385 Cs 4.47417377 13.55004232 0.04559277 0.05352080 -0.01312211 -0.03526507 Cs 4.47313540 8.98665546 4.48676414 0.06510764 0.01503162 0.05464158 Cs 0.01202153 13.54902858 4.58560300 -0.03626842 -0.01439149 0.03473172 Cs 8.99557089 8.98664591 0.02517709 0.01494910 0.01104020 -0.02260409 Cs 13.55578302 13.53796622 0.08229903 -0.01376616 -0.01315613 -0.03236515 Cs 13.56998778 9.00692286 4.49243139 -0.03101285 0.01248099 0.06554038 Cs 9.01418441 13.44477078 4.50519390 0.01465129 -0.00395564 0.06566228 Cs 18.01346192 8.97965225 0.07797287 -0.03412466 0.01814501 -0.04177745 Cs 22.58217505 13.56611785 0.01454173 0.01869123 -0.01032267 -0.02106976 Cs 22.57828941 8.98602477 4.51821556 0.03023175 0.01250352 0.03860433 Cs 17.95579560 13.58786012 4.51587748 -0.03885956 -0.02591578 0.05441523 Cs 0.06466695 17.96998571 0.00566160 -0.03882357 -0.02601841 -0.03597284 Cs 4.48653210 22.58562247 0.00000943 0.03577361 0.03309001 -0.03649838 Cs 4.58308609 18.06920474 4.43287825 0.04739195 -0.06199638 0.06377300 Cs 0.01558546 22.51243551 4.44023205 -0.03974105 0.03269396 0.03163608 Cs 9.09906285 18.06838844 0.08480178 -0.00106676 -0.05109289 -0.03852303 Cs 13.50628606 22.44996445 0.02784312 -0.00387019 0.03509294 -0.02429645 Cs 13.56929232 17.96998628 4.54951744 -0.02780312 -0.04758188 0.06542078 Cs 9.00241698 22.49362876 4.58981039 0.01797728 0.03734220 0.04025400 Cs 18.04703643 18.09592171 0.04952064 -0.03951730 -0.04508375 -0.05095179 Cs 22.57329096 22.46221890 0.04419023 0.01931937 0.02345275 -0.01811127 Cs 22.44188015 18.05946175 4.53672830 0.05237044 -0.04655525 0.03932204 Cs 17.99321388 22.52883580 4.58613412 -0.03841867 0.05398288 0.02510125 Cs 0.03311111 0.08350900 9.12909183 -0.03580093 -0.03463956 -0.00468851 Cs 4.46719467 4.48793555 8.94193932 0.06576592 0.06129508 0.01597252 Cs 4.49257340 0.06091594 13.52129509 0.06108116 -0.04422442 -0.00993544 Cs 0.07978381 4.46804049 13.53978525 -0.04175185 0.05844954 -0.00674924 Cs 8.96855748 0.05187684 8.93528731 0.01919595 -0.02845897 0.02677405 Cs 13.48767188 4.55864250 8.98809444 -0.01005794 0.04982763 0.01265277 Cs 13.53068672 0.06215709 13.57637555 -0.01654357 -0.02300332 -0.02900494 Cs 8.92270416 4.55408173 13.40595854 0.02683110 0.04970842 0.00062883 Cs 18.09830759 0.08023916 8.88481277 -0.06415366 -0.03711256 0.01826710 Cs 22.52393511 4.51164018 9.07560036 0.03689091 0.04455154 -0.00199765 Cs 22.48753873 0.05079196 13.56248318 0.03403976 -0.03708956 -0.01114507 Cs 18.03981271 4.42207547 13.49948178 -0.06824300 0.08184775 -0.01052849 Cs 0.08922804 8.99126388 9.07450832 -0.03384131 0.01287219 0.01139163 Cs 4.48800409 13.42804570 8.94986742 0.06955267 0.00026351 0.02076468 Cs 4.54186293 8.93376938 13.47436103 0.05536526 0.02849082 0.00081686 Cs 0.00541665 13.59028396 13.56865181 -0.02512651 -0.02587539 -0.01477244 Cs 8.92810401 8.98002933 8.93010750 0.02858602 0.02120887 0.01705153 Cs 13.55810534 13.49225445 9.04053253 -0.03020407 -0.01332143 0.01748120 Cs 13.47078392 8.94115677 13.48368379 -0.01033120 0.01148859 -0.02157281 Cs 8.94637066 13.57206153 13.56954780 0.01766215 -0.02474245 -0.03192111 Cs 17.98577953 8.98251819 8.95358623 -0.05455718 0.01471422 0.02543132 Cs 22.48700126 13.46076724 8.93738652 0.01819358 0.00102330 0.02002473 Cs 22.58943679 8.99573901 13.46467368 0.01188769 0.01855425 -0.00819004 Cs 17.96811554 13.53562875 13.50373928 -0.04486254 -0.01481231 -0.02446146 Cs 0.05284563 17.97960096 8.95433862 -0.03264341 -0.03345215 0.01247966 Cs 4.44319227 22.55162616 8.94432778 0.04528825 0.03066434 0.02063071 Cs 4.44023389 17.93635933 13.51624188 0.06940910 -0.04358909 -0.01432844 Cs 0.04414943 22.48934725 13.57043838 -0.03010988 0.02374369 -0.01061354 Cs 8.95944865 17.98961211 9.05465645 0.02107930 -0.06209060 0.00916071 Cs 13.57493517 22.56947808 9.03804349 -0.02706371 0.01569167 0.01124929 Cs 13.50670154 17.99792656 13.58539299 -0.01283499 -0.05857796 -0.02605221 Cs 8.97580430 22.49828336 13.54196409 0.01144558 0.01597071 -0.01983754 Cs 18.01934319 18.08456314 8.97520927 -0.05205968 -0.06754118 0.03377048 Cs 22.57289456 22.55843062 8.94021309 0.02890925 0.02505062 0.01506590 Cs 22.58868156 18.04718162 13.58585616 0.02556685 -0.04537412 -0.02781366 Cs 18.01572673 22.58248988 13.44764159 -0.03336312 0.02636044 -0.00042122 Cs 0.07183665 0.05425948 17.95670049 -0.04266833 -0.04486982 -0.02657546 Cs 4.57200103 4.44206480 18.01288568 0.06106351 0.07195953 -0.04706407 Cs 4.47461917 0.04309185 22.49586590 0.03584449 -0.03902728 0.03865054 Cs 0.00293031 4.43965427 22.45281598 -0.03865933 0.03284267 0.03895817 Cs 9.07602363 0.01213604 18.08504313 -0.00433345 -0.03423412 -0.05361694 Cs 13.45841293 4.45944314 18.07324430 -0.00663796 0.08054839 -0.06985408 Cs 13.51648783 0.05469051 22.45141718 -0.00471201 -0.03705757 0.03801713 Cs 9.01537811 4.56625083 22.59848448 0.00090869 0.04380679 0.03073846 Cs 18.04943076 0.08445054 17.98287909 -0.03525407 -0.05129274 -0.02857472 Cs 22.54410778 4.58079227 17.95058645 0.03993346 0.03403319 -0.02887757 Cs 22.53411991 0.00431708 22.58246827 0.01740626 -0.01451564 0.01143843 Cs 17.99993564 4.43452916 22.51615464 -0.03370644 0.05382693 0.03865941 Cs 0.01556895 8.96521844 18.06599443 -0.03240019 0.01358963 -0.05236746 Cs 4.46632308 13.50436604 18.02166894 0.06555222 -0.02188548 -0.05826254 Cs 4.41764536 9.01681433 22.53664334 0.05472420 0.00521907 0.02919874 Cs 0.07462768 13.61605653 22.53129765 -0.03314139 -0.01343781 0.03259680 Cs 9.06750312 9.07461731 17.96152583 -0.00630152 -0.00307759 -0.04870268 Cs 13.50059596 13.33926037 17.93104480 -0.01214136 0.01197433 -0.04415183 Cs 13.49506104 9.01077238 22.57634600 -0.00136301 0.01245566 0.02004557 Cs 8.96923345 13.55172658 22.54475729 0.01435150 -0.02226136 0.02228365 Cs 17.99246013 9.13284058 17.95288133 -0.05007188 -0.01319287 -0.04873623 Cs 22.59868700 13.52932602 18.00004694 0.03157664 -0.01480583 -0.03815533 Cs 22.54591040 8.90774157 22.47823409 0.01838018 0.01459172 0.02640281 Cs 18.03490941 13.59231960 22.53009598 -0.04142282 -0.02166185 0.03144342 Cs 0.06990992 17.99164903 18.09380822 -0.04775699 -0.02420855 -0.04013671 Cs 4.57983397 22.56066016 17.93654254 0.03121324 0.03652194 -0.02856073 Cs 4.57636140 18.02294126 22.50693560 0.03510836 -0.03051170 0.04451595 Cs 0.05701964 22.52859748 22.57365909 -0.01339353 0.01712605 0.01402286 Cs 9.06570924 17.95262578 18.09003881 0.00558649 -0.04790393 -0.06654448 Cs 13.53827433 22.51689035 17.96198156 -0.01083204 0.03318691 -0.03511332 Cs 13.50810443 18.01038301 22.49719365 -0.00932849 -0.04234003 0.02909210 Cs 8.93475581 22.57423070 22.52527117 0.01564477 0.02612912 0.02368486 Cs 18.02948145 17.94905572 17.98382124 -0.05601867 -0.04057094 -0.05083553 Cs 22.55734580 22.53423742 17.99196513 0.02525075 0.03567678 -0.02592839 Cs 22.48462741 18.08406618 22.51048548 0.03610654 -0.02939602 0.03405884 Cs 17.95904151 22.54518569 22.53922042 -0.02680474 0.03185419 0.02698277