500 Lattice="37.188591871110894 0.0 0.0 0.0 37.188591871110894 0.0 0.0 0.0 37.188591871110894" Properties=species:S:1:pos:R:3:forces:R:3 energy=-356.63327050212865 stress="-8.844025991173539e-05 -3.163216499643348e-06 -1.4100701566556209e-06 -3.163216499643348e-06 -8.724536049826012e-05 4.566386090016668e-06 -1.4100701566556209e-06 4.566386090016668e-06 -8.717467732041132e-05" pbc="F F F" Cs 0.03507186 0.00041820 0.00256446 0.03886346 0.04190321 0.04194856 Cs 3.72455377 3.77713046 0.04302512 0.01373528 -0.01066448 -0.01615116 Cs 3.67943759 0.04142265 3.76447343 0.03194841 -0.02435847 -0.01743024 Cs 0.04323836 3.68806160 3.77019111 -0.03059030 0.03493380 -0.01849341 Cs 7.46577820 0.02244333 0.02987730 -0.00664413 0.02003968 0.02606547 Cs 11.13056571 3.77482321 0.05160235 -0.02301984 0.00668852 -0.01911636 Cs 11.14965941 0.01534525 3.75409591 -0.00312102 -0.01806578 0.00342543 Cs 7.39207251 3.78044874 3.82583255 0.01805794 -0.02357999 -0.02571632 Cs 14.81241828 0.00495729 0.05512154 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0.05501923 -0.02847569 -0.01132242 -0.02745461 Cs 33.51591898 11.11270482 0.02330284 -0.01548952 0.00720413 0.01362468 Cs 33.40762091 7.42554829 3.73033547 0.01598001 -0.00198580 0.02415083 Cs 29.67777355 11.20367111 3.70489737 0.01988013 -0.01434607 0.02627916 Cs 0.10769357 14.78447409 0.02854396 0.00519381 -0.00107734 0.01074265 Cs 3.72242898 18.53989523 0.07163240 0.00971020 -0.00652496 -0.04534241 Cs 3.76756088 14.90144922 3.79988853 -0.01651078 -0.01276830 -0.01013595 Cs 0.04106954 18.58866453 3.72456033 -0.02342341 -0.02011913 0.01647562 Cs 7.46986588 14.87067250 0.02103732 -0.02403697 0.00071239 -0.03473176 Cs 11.08989125 18.58523835 0.06651962 0.01751005 0.01318541 -0.02959744 Cs 11.16562650 14.93682864 3.65597016 0.00485983 -0.02441383 0.03732270 Cs 7.36449628 18.53497013 3.69337339 0.01522739 0.01673997 0.02282493 Cs 14.89351211 14.94802595 0.03423182 -0.02917765 -0.01675069 -0.02953406 Cs 18.52939177 18.56758693 0.02432320 0.02303755 -0.00690140 -0.02898376 Cs 18.66349298 14.80553915 3.67014035 -0.02112935 0.02331745 0.01521590 Cs 14.91014227 18.54717094 3.73650051 0.00732093 0.00315925 0.00916283 Cs 22.44401380 14.82348651 0.04549022 -0.01372943 0.02746948 -0.02490737 Cs 26.08392458 18.64741914 0.00144978 0.01550336 -0.01973154 -0.02420802 Cs 26.06966850 14.89195207 3.75244288 -0.00770809 0.01892047 0.01212719 Cs 22.29210145 18.64997068 3.67399549 0.00000123 -0.00618344 0.02007492 Cs 29.72433880 14.83410810 0.03957865 -0.00091252 0.00916522 -0.02045004 Cs 33.51100909 18.55301389 0.05156822 -0.03073088 0.00805747 0.01536960 Cs 33.48159511 14.89602371 3.70247516 0.01082526 -0.01206427 0.01925082 Cs 29.73995427 18.66293916 3.78695364 -0.00374601 -0.02051129 -0.01132337 Cs 0.05042867 22.34174602 0.03134851 0.00661752 0.01407259 0.00429117 Cs 3.77903438 26.04644582 0.03530064 0.01406235 0.00653723 -0.02807825 Cs 3.66831464 22.26088105 3.64620675 0.02922614 0.01649792 0.03891973 Cs 0.07155416 26.09998974 3.72079182 -0.02334575 -0.00800808 0.02555343 Cs 7.44234728 22.24461673 0.00861383 -0.00922604 0.00192200 -0.01582928 Cs 11.15961586 25.94075340 0.02125667 -0.01792705 0.01427426 -0.02441565 Cs 11.20130050 22.33495406 3.70940656 -0.00154952 -0.01918656 0.01304934 Cs 7.43080287 26.01908386 3.73619614 -0.00449092 0.00959513 0.02095379 Cs 14.83694102 22.28725568 0.01340038 0.00195964 0.00478361 -0.02060577 Cs 18.63671754 26.06760967 0.01780096 -0.00514096 -0.01506200 -0.02381666 Cs 18.47593559 22.31706986 3.68517390 0.01764677 0.00639933 0.00402208 Cs 14.85920977 26.09177050 3.79247235 -0.01048288 -0.00313988 -0.02314333 Cs 22.35022016 22.25323312 0.06624190 -0.01070192 0.01623840 -0.03847430 Cs 25.99868414 26.13605915 0.07378895 0.01344146 -0.01680485 -0.02420405 Cs 26.02447376 22.27204188 3.72317624 0.01832420 0.01275899 0.02744786 Cs 22.27961550 25.96101212 3.67387751 0.00212757 0.01153740 0.02180048 Cs 29.77060498 22.39346692 0.04051058 -0.01076492 -0.00355815 -0.02376518 Cs 33.52834356 26.03878822 0.03883370 -0.00463161 0.00054590 0.01329016 Cs 33.42798410 22.26187962 3.78309174 0.03700432 0.00487967 -0.00347062 Cs 29.81320713 25.99953259 3.72242954 -0.04059378 0.01000590 0.00862820 Cs 0.02963059 29.70197247 0.00546933 0.01804630 -0.00793836 0.00254288 Cs 3.77504010 33.44758918 0.06696398 0.00294277 -0.00805426 0.01587892 Cs 3.65288540 29.78556281 3.72392923 0.03560975 -0.01586499 0.02150657 Cs 0.00276048 33.44115295 3.75594466 0.00714472 -0.02161983 0.01312516 Cs 7.42702116 29.80647551 0.03903055 0.00767085 -0.02820045 -0.02373710 Cs 11.12943200 33.53314834 0.01122420 0.01086189 -0.01362235 0.01170140 Cs 11.13523903 29.78659843 3.71222676 0.02080527 -0.02003772 0.01806465 Cs 7.46100425 33.43627269 3.70268735 -0.00091133 0.03197848 0.01524920 Cs 14.88538756 29.66067585 0.03002974 -0.01764298 0.00963020 -0.02538406 Cs 18.53047714 33.49701257 0.06235987 0.01787760 -0.03032800 0.01523974 Cs 18.55425214 29.68987820 3.74791620 0.01391987 0.01123688 -0.01221686 Cs 14.91290804 33.48015712 3.66297828 -0.02078397 0.00400108 0.02957232 Cs 22.37548269 29.71939857 0.06655243 -0.03209964 0.01708924 -0.01910149 Cs 26.00851459 33.44473208 0.00072012 0.00773557 -0.02095582 0.01258530 Cs 26.00091585 29.78005154 3.76544881 0.01848480 -0.01259121 0.02172427 Cs 22.28991808 33.40566881 3.79258526 0.00703391 0.03449341 -0.01334685 Cs 29.81868188 29.77720188 0.06271144 -0.03544560 -0.02649264 -0.01804744 Cs 33.45333674 33.40636673 0.00676310 -0.02677354 -0.02837252 0.03280227 Cs 33.50462136 29.68192474 3.66244692 0.01869148 0.02762376 0.03181573 Cs 29.70477903 33.48164784 3.72403549 0.01034240 0.01207423 0.01822336 Cs 0.04419783 0.12503178 7.39451756 0.00466893 -0.00918515 0.01875342 Cs 3.71359854 3.76633870 7.36582677 0.01048414 0.00140888 0.03296262 Cs 3.75157425 0.05767579 11.22362885 0.01127459 -0.01956285 -0.01105620 Cs 0.01259112 3.70005435 11.15486008 -0.01574863 0.02849774 -0.00604314 Cs 7.41257704 0.00420414 7.43965372 -0.00979508 -0.02475727 -0.00492425 Cs 11.19273466 3.65672713 7.40632721 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Cs 7.44986108 18.61444083 11.22966824 -0.00791646 -0.01040227 -0.01776785 Cs 14.90958160 14.91046410 7.51089528 0.01296713 -0.02107168 -0.02416564 Cs 18.62211218 18.59608997 7.44878748 -0.00941681 -0.00730197 -0.00843019 Cs 18.59837851 14.81790319 11.29952507 0.01435244 0.02213519 -0.02908538 Cs 14.89970353 18.53239602 11.20661472 -0.01283141 0.01366967 -0.01056879 Cs 22.27710966 14.92595371 7.31077945 -0.01382545 -0.01877503 0.02339351 Cs 26.04290854 18.53328718 7.49985923 -0.00735782 0.01924036 -0.01831159 Cs 25.97949580 14.82471540 11.08658657 0.01873051 0.00743390 0.02717593 Cs 22.37376646 18.60437414 11.15846928 -0.03346132 -0.01293335 0.01104786 Cs 29.81213862 14.87402123 7.43447395 -0.02172973 -0.02219758 -0.00826222 Cs 33.45893521 18.53437751 7.42791099 0.03433394 0.01100131 -0.00422139 Cs 33.52529889 14.89742002 11.09998860 0.02492257 -0.00101649 0.01617342 Cs 29.79920106 18.52038772 11.08932966 -0.03324180 0.01242796 0.02011173 Cs 0.07279241 22.24838161 7.44369096 -0.03051431 0.02477664 -0.01634132 Cs 3.73306290 26.05704756 7.50691448 0.01310084 -0.01834618 -0.02642225 Cs 3.71405771 22.34026986 11.17633287 0.03509675 0.00082058 0.00592585 Cs 0.00220674 25.97272758 11.20890163 -0.02991287 0.01051818 0.00067020 Cs 7.49651076 22.22218134 7.39453621 -0.01831014 0.00663673 -0.00419036 Cs 11.18222152 25.99171073 7.51051242 -0.00344222 0.01021885 -0.02064179 Cs 11.10569696 22.27912133 11.22344473 0.03436606 -0.01396940 -0.01792377 Cs 7.52623746 26.00967632 11.09118700 -0.00984546 0.00924907 0.01635607 Cs 14.92042481 22.38032155 7.36719172 -0.01698054 -0.02523133 0.03453793 Cs 18.59674281 26.03662429 7.38078475 0.00557852 -0.00075717 0.02630132 Cs 18.57071612 22.26568790 11.11125988 0.01114569 0.01492336 0.01538234 Cs 14.85624559 26.07811676 11.20353237 0.00714233 -0.02349075 -0.02133412 Cs 22.23513138 22.38420535 7.40363126 0.00534210 -0.02498361 -0.00442871 Cs 25.96263097 26.01706458 7.46099634 0.01946054 0.00621983 -0.03055623 Cs 25.96778763 22.32515137 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