500 Lattice="42.74729141185535 0.0 0.0 0.0 42.74729141185535 0.0 0.0 0.0 42.74729141185535" Properties=species:S:1:pos:R:3:forces:R:3 energy=-243.78799497746704 stress="-0.6511985031858346 0.09206884466761789 -0.22410076411674673 0.09206884466761789 -0.670055731743119 0.00972932995790643 -0.22410076411674673 0.00972932995790643 -0.7623805078204802" pbc="F F F" Cs 0.04409433 0.00681643 -0.03740670 -0.04405629 -0.04624262 -0.04204181 Cs 4.21153125 4.30333093 0.00454128 0.05653194 0.04758936 -0.09449887 Cs 4.28950627 0.04707684 4.28375184 0.03355795 -0.10266999 0.05173663 Cs -0.00350514 4.22906237 4.30765978 -0.09329850 0.04893609 0.04892439 Cs 8.54142834 0.04133953 0.08132081 0.01608173 -0.06504882 -0.07425540 Cs 12.88643649 4.30252088 -0.06424958 0.00473130 0.03167324 -0.06247297 Cs 12.80821106 -0.07966542 4.33900972 0.02335216 -0.06292785 0.03529328 Cs 8.47933722 4.21428216 4.23471107 0.03617513 0.09602985 0.08218442 Cs 17.17918070 -0.01990556 0.01414607 -0.01856739 -0.06689874 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0.04554135 0.08978475 Cs 0.04219509 8.58867514 34.12307633 -0.08808202 0.01455219 -0.02862104 Cs 4.33190261 12.79549069 34.16930817 0.06029066 0.02037004 -0.06185027 Cs 4.27628200 8.48308687 38.46670550 0.04347844 0.03768457 0.08564107 Cs -0.04680402 12.95200738 38.44312087 -0.04497026 -0.01367378 0.05666933 Cs 8.54295347 8.52376559 34.24078722 0.02770343 0.02899069 -0.08682929 Cs 12.81687813 12.77590960 34.16903174 0.00105386 0.01077602 -0.05652835 Cs 12.80570405 8.49577471 38.54091496 0.00222062 0.03293009 0.05910925 Cs 8.50734504 12.88964069 38.45586241 0.01907413 -0.01248230 0.05752382 Cs 17.12823358 8.59535331 34.25619742 -0.02320894 -0.01210935 -0.08042771 Cs 21.26730889 12.74016037 34.26094344 0.02301440 0.03841821 -0.09678624 Cs 21.28041189 8.59329741 38.43714571 0.00586523 0.00585226 0.08227488 Cs 17.05908254 12.93531033 38.48265348 -0.02063683 -0.00565446 0.06054937 Cs 25.51343053 8.52663028 34.27159608 0.02323885 0.03409330 -0.08367316 Cs 29.93200718 12.83126412 34.17322210 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21.46631879 38.50009643 0.02961969 0.00349112 0.05940276 Cs 17.10282761 17.12534046 34.12872762 -0.00854291 -0.00476407 -0.06292333 Cs 21.29130380 21.35158666 34.19354103 0.01671131 -0.00235919 -0.05567289 Cs 21.26945696 17.03103446 38.52958573 0.00999323 0.02562163 0.04802192 Cs 17.00866140 21.44313722 38.54841151 0.01237901 -0.01177763 0.05241875 Cs 25.69374531 17.07820405 34.28289090 -0.03738149 -0.00461140 -0.10599864 Cs 29.80075483 21.35155094 34.12131907 0.01207306 0.00681561 -0.08085059 Cs 29.87416383 17.02801870 38.47155657 0.00675453 0.01410843 0.06336639 Cs 25.72881948 21.33589999 38.49015119 -0.03763603 0.00080637 0.05618012 Cs 34.26552141 17.15072270 34.24221499 -0.09668697 0.00503094 -0.09040638 Cs 38.38717665 21.44446938 34.23352685 0.08076813 -0.00668277 -0.06251820 Cs 38.41003537 17.18591105 38.46497006 0.07674827 -0.00938109 0.06475299 Cs 34.21130125 21.33909510 38.52942054 -0.07761490 0.00543079 0.07278024 Cs 0.07734714 25.61405674 34.14963022 -0.09539196 0.00391977 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38.42842879 -0.00164021 0.01281233 0.06509846 Cs 25.65773699 29.89948280 38.48354174 -0.00475500 -0.00545766 0.06025938 Cs 34.18986201 25.69795420 34.26029174 -0.08845494 -0.02875417 -0.08041435 Cs 38.42112259 29.94271421 34.18861288 0.08953267 -0.01474940 -0.05433236 Cs 38.46034378 25.59780511 38.46423702 0.06341353 0.00886174 0.06596215 Cs 34.20192830 29.93546045 38.42560111 -0.05948069 -0.01450705 0.09093647 Cs 0.06085483 34.26789925 34.20290776 -0.09200169 -0.06034071 -0.05505522 Cs 4.23716910 38.50886835 34.18601999 0.05391096 0.09418317 -0.03558374 Cs 4.24338975 34.24733276 38.49928824 0.05174231 -0.03703850 0.08962679 Cs -0.06368912 38.51279688 38.49621722 -0.04052331 0.04186223 0.04126401 Cs 8.49440639 34.13589845 34.14504049 0.02691773 -0.05551463 -0.05550963 Cs 12.96970442 38.39935453 34.27344490 -0.02093616 0.07402075 -0.07104295 Cs 12.85240870 34.26448265 38.55388037 0.00134072 -0.07973404 0.07357712 Cs 8.70320792 38.48507001 38.49465093 -0.01061164 0.05836233 0.04872632 Cs 17.11167923 34.23838593 34.23813481 -0.01233719 -0.08464419 -0.09364066 Cs 21.40326674 38.42870755 34.12016148 -0.00390906 0.08283534 -0.04198772 Cs 21.34092429 34.19706096 38.43978159 0.01636173 -0.04554050 0.07867193 Cs 17.08957368 38.49880192 38.55494825 0.01755939 0.06350466 0.05975972 Cs 25.69228184 34.21568268 34.12994209 -0.02508734 -0.08413111 -0.06138353 Cs 29.84307057 38.47121852 34.22744352 0.00274208 0.08881546 -0.04810325 Cs 29.87274084 34.20950777 38.39296354 -0.00854333 -0.05648274 0.08825662 Cs 25.65565510 38.49315045 38.50605198 -0.01358087 0.05580313 0.05895073 Cs 34.24125666 34.25475570 34.27770902 -0.07151140 -0.06910888 -0.07986867 Cs 38.41682811 38.46816281 34.24322700 0.07666751 0.08102555 -0.04177946 Cs 38.55491029 34.21887205 38.46927812 0.07240999 -0.04058567 0.07551065 Cs 34.22368743 38.47188174 38.51734441 -0.04327983 0.07075630 0.07554681