108 Lattice="27.106273654325303 0.0 0.0 0.0 27.106273654325303 0.0 0.0 0.0 27.106273654325303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-37.13997361792404 stress="-2.4154955858620312e-05 -7.890038885115763e-06 3.7970941658883397e-06 -7.890038885115763e-06 -2.2062710284986253e-05 5.622311250402456e-06 3.7970941658883397e-06 5.622311250402456e-06 -2.643531397975889e-05" free_energy=-37.13997361792404 pbc="F F F" Cs 0.01938998 0.03644364 0.06162506 -0.02206025 -0.02186166 -0.02097238 Cs 4.52008919 4.47198824 0.08234555 0.03371240 0.04250656 -0.05484370 Cs 4.48120534 0.00085586 4.56880336 0.04185442 -0.05044616 0.03173012 Cs 0.07697005 4.58933160 4.47370608 -0.05145483 0.03680310 0.03888245 Cs 9.08151614 0.06764405 0.07702479 -0.00101264 -0.03511120 -0.03631496 Cs 13.59584511 4.53659714 0.03940142 -0.01002012 0.04649557 -0.04747488 Cs 13.55572273 0.05017080 4.42834014 -0.01138639 -0.04118367 0.05562872 Cs 9.02399611 4.48833055 4.43452105 0.01384486 0.05602805 0.07105028 Cs 18.14198823 0.01052721 0.05675624 -0.03296732 -0.04042380 -0.03930189 Cs 22.53587494 4.49377686 0.05769935 0.03877908 0.03454106 -0.03970885 Cs 22.60408413 0.04855469 4.53852172 0.03447401 -0.03816783 0.03148685 Cs 18.00177412 4.55151961 4.45486954 -0.04306422 0.06332359 0.06675550 Cs 0.08570878 9.20136197 0.00933931 -0.02805637 -0.00414622 -0.02898888 Cs 4.59342497 13.54709785 0.07073036 0.03868137 -0.00226048 -0.04043767 Cs 4.56338757 9.02251261 4.51286028 0.04849445 0.01386842 0.06006875 Cs 0.06879934 13.60266563 4.54177818 -0.03919075 -0.01700747 0.04763311 Cs 8.95654441 9.02223390 0.02554985 0.01367388 0.00301813 -0.03677913 Cs 13.50954378 13.51805569 0.00825584 -0.00205183 -0.00827452 -0.02453216 Cs 13.39786858 9.03925440 4.44738576 0.01293512 0.01429221 0.07147049 Cs 9.03957320 13.50805483 4.46694115 0.01375595 0.00209153 0.07981552 Cs 18.09406575 9.08838652 0.02110058 -0.04244448 0.01208788 -0.02797562 Cs 22.63452190 13.53957390 0.05903325 0.02478091 -0.01007792 -0.02976037 Cs 22.63931780 8.99376194 4.54856416 0.02405897 0.01380925 0.04500944 Cs 18.06238329 13.60175858 4.59814771 -0.06151395 -0.02953089 0.03892151 Cs 0.06728496 18.03628680 0.08349131 -0.03772586 -0.02726833 -0.04334122 Cs 4.48301131 22.64943315 0.06465900 0.03396035 0.03265220 -0.03962786 Cs 4.49971014 18.09866532 4.48621891 0.06187381 -0.05141582 0.06088927 Cs 0.00974635 22.61356315 4.48930161 -0.03749975 0.03629810 0.03368313 Cs 9.04835189 18.04294879 0.06146640 -0.00360202 -0.04173931 -0.03942832 Cs 13.38907895 22.50061703 0.00925001 0.01255837 0.03563950 -0.03021838 Cs 13.56890089 18.11616725 4.44807938 -0.00873323 -0.06296702 0.07630064 Cs 9.02537091 22.57284412 4.50750472 0.00667651 0.03336125 0.04728233 Cs 18.04555735 18.04560980 0.01246601 -0.03623706 -0.02986977 -0.04558581 Cs 22.63791724 22.61077818 0.00460089 0.01365226 0.01402823 -0.01561104 Cs 22.52189416 17.98513135 4.43438922 0.04634999 -0.02191367 0.04768821 Cs 18.13590109 22.67777971 4.58890638 -0.03949814 0.03448093 0.02666077 Cs 0.00852978 0.02420225 8.99031793 -0.02866409 -0.02170525 0.01151101 Cs 4.58149858 4.52068118 8.96838093 0.05062629 0.05930015 0.02056783 Cs 4.52974825 0.07203881 13.55643248 0.03784485 -0.03358903 -0.00825693 Cs 0.07804923 4.58575325 13.53360438 -0.03724098 0.02733967 -0.01360905 Cs 8.95708063 0.03500470 9.04271048 0.02920074 -0.02113575 0.00811419 Cs 13.60125817 4.55010613 8.96108710 -0.02395284 0.05811793 0.02191314 Cs 13.62244447 0.00762095 13.57637705 -0.01933364 -0.01882517 -0.01885176 Cs 9.03343628 4.50333735 13.60457722 0.01525034 0.07120698 -0.02712456 Cs 17.98645460 0.00939455 8.97921718 -0.03400684 -0.03419590 0.00917058 Cs 22.53081895 4.48007528 8.98366881 0.02561311 0.04778191 0.01470583 Cs 22.55715142 0.03242670 13.57042794 0.02675721 -0.02959525 -0.01121209 Cs 18.06978633 4.47979885 13.58136296 -0.05976758 0.06404678 -0.01602951 Cs 0.00616586 8.95243100 9.02162699 -0.02245899 0.02191290 0.00747504 Cs 4.48104077 13.53201990 8.98284704 0.06576504 -0.01366879 0.01922925 Cs 4.46461065 9.02607383 13.57481157 0.07888295 0.01066794 -0.02743410 Cs 0.06736748 13.54984469 13.62472937 -0.03255469 -0.00486285 -0.02578330 Cs 8.99975339 8.98903305 8.97281296 0.01729186 0.01858572 0.02777770 Cs 13.62311522 13.53343739 9.01271273 -0.03662673 -0.00544936 0.01089381 Cs 13.55684554 9.07116411 13.48257865 -0.02041986 0.00938217 0.00020697 Cs 8.99783463 13.50265304 13.56117021 0.02331801 -0.00808411 -0.01959473 Cs 18.02153785 9.13955777 9.11954495 -0.05007980 -0.00834332 -0.00515640 Cs 22.53613893 13.56932072 9.06493310 0.03124917 -0.01376597 0.01406419 Cs 22.60256448 8.96851669 13.57282101 0.02284313 0.01676513 -0.01765105 Cs 18.05777585 13.55905122 13.64043933 -0.04785525 -0.01715321 -0.01304153 Cs 0.04083418 18.13382694 9.01200225 -0.03321709 -0.04299045 0.01456289 Cs 4.58622437 22.65358809 8.99063820 0.02784052 0.02885398 0.00839552 Cs 4.48255063 18.05585606 13.54682725 0.06530493 -0.04760674 -0.01514225 Cs 0.00356076 22.62019313 13.58006439 -0.02255983 0.02699053 -0.01084543 Cs 8.99381322 18.00838134 9.03635678 0.02430621 -0.06064085 0.01123670 Cs 13.57150730 22.62724774 8.96773548 -0.00993786 0.00839970 0.01953594 Cs 13.61598182 17.99546609 13.57973257 -0.03691783 -0.04562590 -0.02512850 Cs 8.95021205 22.65332537 13.43785684 0.02753036 0.00844515 0.00512936 Cs 18.10966960 17.98841926 9.09171319 -0.06578672 -0.03410418 0.00576585 Cs 22.63882951 22.50169065 9.09298188 0.02482617 0.02560723 -0.00049709 Cs 22.57621864 18.14238267 13.57662341 0.03296489 -0.05313955 0.00033978 Cs 18.03399036 22.59448089 13.61676556 -0.04235962 0.03265101 -0.02009105 Cs 0.01782836 0.00968586 17.98826404 -0.03212311 -0.02906180 -0.02129018 Cs 4.48345750 4.59390990 18.11593569 0.05563758 0.04041647 -0.05152698 Cs 4.49060446 0.03571792 22.63643184 0.03019388 -0.03321742 0.02581183 Cs 0.01877955 4.59038360 22.60720059 -0.03358260 0.02722282 0.03067138 Cs 9.08804314 0.05140924 18.00584432 -0.00204825 -0.03841985 -0.03165518 Cs 13.47732750 4.60777179 18.06575188 0.00574402 0.05257326 -0.06158969 Cs 13.57926313 0.05949559 22.54058838 -0.00908898 -0.02615156 0.02832774 Cs 8.98891285 4.54631509 22.50672527 0.01179854 0.03809677 0.03929912 Cs 18.03956121 0.00970573 18.04857514 -0.03316046 -0.03614049 -0.02745359 Cs 22.65031879 4.53338876 18.04675511 0.03826985 0.03218776 -0.03414861 Cs 22.62877002 0.06507150 22.49957032 0.01526424 -0.01809645 0.01948809 Cs 18.03744755 4.58563310 22.63138462 -0.02787835 0.02356916 0.03481523 Cs 0.02713412 9.00391967 17.98569959 -0.03718067 0.01544307 -0.02009110 Cs 4.51537260 13.55677490 17.98212514 0.05881903 -0.01054034 -0.03594721 Cs 4.59362133 9.11202560 22.65322314 0.02822185 0.01037884 0.02789094 Cs 0.00912163 13.64067840 22.52368828 -0.02389063 -0.01334798 0.02246568 Cs 9.01675971 9.05757630 18.05103094 0.01948458 0.02187089 -0.05874304 Cs 13.62245542 13.62020273 18.14736609 -0.03332505 -0.03861227 -0.06889703 Cs 13.63993919 8.96127122 22.57457142 -0.02264605 0.02653926 0.02130154 Cs 9.00302726 13.59727907 22.59173724 0.02152769 -0.01862293 0.02021732 Cs 18.13916325 9.02098454 18.03036661 -0.06556539 0.01263066 -0.05333852 Cs 22.66821922 13.55197934 18.11186971 0.03050028 -0.00426431 -0.04493268 Cs 22.59609913 8.96088464 22.55154714 0.02584312 0.01347590 0.03026950 Cs 18.06692872 13.61128414 22.55410787 -0.03111683 -0.01758058 0.03906396 Cs 0.07307840 18.14324565 18.07038822 -0.04379898 -0.04189096 -0.03832169 Cs 4.57113651 22.62953432 18.06739536 0.03901246 0.04156490 -0.04160888 Cs 4.60107946 18.07741560 22.62307719 0.02488845 -0.04203685 0.04081221 Cs 0.06163500 22.54768170 22.52064927 -0.02053993 0.02240537 0.02416935 Cs 9.03290830 18.05455157 18.11590614 0.01093275 -0.05027320 -0.07726602 Cs 13.58280318 22.54729850 18.08262955 -0.02360311 0.03683421 -0.04634207 Cs 13.56493670 18.09925668 22.54069880 -0.01033902 -0.03750115 0.04605409 Cs 8.96633736 22.53655085 22.60919344 0.01583522 0.03339867 0.02783935 Cs 17.98966641 18.00131520 18.06999159 -0.02304709 -0.03652415 -0.04438678 Cs 22.50836353 22.59620942 18.08794554 0.03448399 0.03102756 -0.02657040 Cs 22.66368156 18.10316473 22.63819812 0.02503601 -0.02721146 0.02707143 Cs 18.07503279 22.65794830 22.59189832 -0.02783210 0.02662507 0.03334065