864 Lattice="50.453388128378165 0.0 0.0 0.0 50.453388128378165 0.0 0.0 0.0 50.453388128378165" Properties=species:S:1:pos:R:3:forces:R:3 energy=-460.5820437954628 stress="-0.8303240517346104 -0.030180921197810573 -0.2991544819333356 -0.030180921197810573 -0.8880863154285521 0.03981893913635304 -0.2991544819333356 0.03981893913635304 -0.798727396709717" pbc="F F F" Cs -0.01781099 -0.00066950 0.03019018 -0.04409177 -0.04137635 -0.04533992 Cs 4.28846748 4.27429095 0.01862624 0.03946010 0.03200287 -0.11102752 Cs 4.27920250 -0.01289748 4.20024128 0.04270298 -0.10127123 0.03985169 Cs 0.05951686 4.26578578 4.25780498 -0.10724680 0.03629111 0.02723870 Cs 8.42485036 -0.07507444 0.00382105 0.01593810 -0.06000555 -0.06880531 Cs 12.70362197 4.19993155 0.01674320 -0.01938467 0.06561736 -0.08714495 Cs 12.65814324 -0.04053042 4.20895991 -0.00926901 -0.08705741 0.06372301 Cs 8.47167424 4.28344616 4.27199966 0.02030601 0.05473370 0.05628515 Cs 16.73609700 0.02013603 0.03276548 0.02314670 -0.07353352 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12.67500235 25.25157711 4.13805584 -0.01513398 -0.00407276 0.10620127 Cs 8.38659129 29.34979603 4.20440527 0.02420296 0.01465081 0.08774866 Cs 16.72967340 25.36639035 0.04698930 0.02542788 -0.02139594 -0.08594488 Cs 21.11956820 29.39920285 -0.02127040 -0.01459858 -0.00116178 -0.07374989 Cs 21.02166948 25.13587175 4.18625681 0.00346873 0.01715581 0.10677094 Cs 16.85222302 29.47693989 4.18892258 0.01512085 -0.01282482 0.10775011 Cs 25.19102844 25.24969095 -0.01551694 0.00677514 -0.02448174 -0.06788781 Cs 29.49557857 29.33654659 0.02427292 -0.02001066 0.01435891 -0.07408209 Cs 29.46560724 25.14462205 4.12593836 -0.00881857 0.02153334 0.12032850 Cs 25.19821719 29.46382279 4.14175178 0.01132861 -0.00967992 0.10581376 Cs 33.57509446 25.11031203 -0.01000833 0.02972183 0.02832811 -0.07583597 Cs 37.76750028 29.47684814 -0.01060678 -0.02528210 -0.02351285 -0.07084532 Cs 37.89922316 25.20212064 4.28230302 -0.04334363 0.01470916 0.05387280 Cs 33.61062979 29.49370528 4.19796975 0.00271667 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Cs 42.02508861 29.35555576 46.20748915 -0.05429685 0.01216628 0.08717085 Cs -0.07104016 33.57089823 42.08408575 -0.07463456 0.00336986 -0.05685886 Cs 4.28045826 37.86998768 42.09982274 0.03925477 -0.03067494 -0.09670028 Cs 4.25739590 33.68983100 46.32947314 0.04705495 -0.01657650 0.08054327 Cs 0.02944815 37.90904665 46.19252350 -0.08071796 -0.02006710 0.07200659 Cs 8.44502937 33.70472245 41.99575247 0.00376634 -0.01408253 -0.07222492 Cs 12.63338993 37.75749841 42.00709480 0.00170162 0.00805895 -0.08098041 Cs 12.60873499 33.59112631 46.27551277 0.00531595 0.00653284 0.07524136 Cs 8.33739103 37.85041182 46.20001659 0.04849036 -0.01274819 0.09538762 Cs 16.77136642 33.70217340 42.01382090 0.02526793 -0.02339426 -0.07614291 Cs 21.04988001 37.80921630 42.10368561 -0.01136207 -0.02253076 -0.09732395 Cs 21.01906543 33.58784410 46.30740928 -0.01641905 0.00324827 0.06380644 Cs 16.77869155 37.90174141 46.32206431 0.00732518 -0.03286676 0.06733351 Cs 25.14413865 33.56624383 41.98312921 0.02349103 0.01275416 -0.06034067 Cs 29.44614872 37.86037118 42.09268577 -0.00528732 -0.04225211 -0.09724268 Cs 29.47345512 33.69443468 46.20213330 -0.01621480 -0.02137324 0.06356458 Cs 25.24516325 37.85544855 46.26607237 -0.00950462 -0.03089565 0.07747981 Cs 33.71928088 33.69650641 42.08467834 -0.02005603 -0.02172775 -0.09933466 Cs 37.84960635 37.87767944 41.96717801 -0.02009325 -0.03852832 -0.06662346 Cs 37.89932772 33.67340383 46.28699611 -0.01256779 -0.00658104 0.07280973 Cs 33.69456078 37.86091569 46.25025950 -0.00445921 -0.01257393 0.08498197 Cs 42.05115454 33.71096120 42.03676723 -0.08348262 -0.03032947 -0.06890673 Cs 46.22397307 37.79291013 41.99866709 0.10553914 -0.01652017 -0.04132319 Cs 46.25929864 33.57852767 46.29265772 0.06104364 0.00388703 0.06734700 Cs 42.02736417 37.91993528 46.26856466 -0.05262405 -0.03007750 0.09785274 Cs -0.05180954 42.08535192 41.97298957 -0.10795612 -0.05912553 -0.04400717 Cs 4.27817859 46.17939470 42.01836578 0.03497397 0.12170637 -0.04466812 Cs 4.14333441 42.07584621 46.27379786 0.04801827 -0.04820001 0.11632229 Cs 0.02564885 46.26388813 46.23219249 -0.05285450 0.05606715 0.04753102 Cs 8.36272848 42.01440325 42.09977921 0.04748043 -0.07786246 -0.08546938 Cs 12.50107903 46.26744934 41.99771520 0.02084431 0.08934733 -0.04743703 Cs 12.68435133 42.05395785 46.20525774 -0.01386499 -0.06181859 0.08301464 Cs 8.36682224 46.21119299 46.26962353 0.01958859 0.07530960 0.08220849 Cs 16.88362887 42.08896160 41.96882576 -0.02339074 -0.09204645 -0.06795721 Cs 21.10197608 46.26075011 41.96855546 -0.01139574 0.10179229 -0.04110636 Cs 20.99090441 42.07183730 46.19354790 0.00712534 -0.05900646 0.09817389 Cs 16.80038832 46.19893435 46.21192469 0.00276742 0.08341026 0.06453743 Cs 25.19419690 42.00890618 42.03012521 -0.00265853 -0.07514041 -0.08101944 Cs 29.41958788 46.31513909 42.10200331 0.00980260 0.08514097 -0.07275689 Cs 29.37017859 42.03228465 46.16838404 0.01401793 -0.04586911 0.09998745 Cs 25.18995619 46.27733383 46.17197002 -0.00008757 0.07161758 0.08164790 Cs 33.68027378 41.99495332 42.01442162 -0.02551814 -0.05975006 -0.07403065 Cs 37.82795470 46.27267176 42.02409605 -0.00593650 0.10550662 -0.05721885 Cs 37.82216999 42.10738656 46.18992162 -0.01649039 -0.06750673 0.10627507 Cs 33.69143297 46.22551292 46.17358083 -0.01591473 0.07333259 0.07987690 Cs 41.98549100 42.00101965 42.05871221 -0.04962439 -0.04743325 -0.06698767 Cs 46.26887916 46.17825052 42.01453731 0.08056160 0.08312241 -0.02174921 Cs 46.23554218 42.00753867 46.31389568 0.08384311 -0.03096283 0.07588354 Cs 41.98800794 46.24483963 46.26671796 -0.02327623 0.08565284 0.07868048