500 Lattice="42.687925302652694 0.0 0.0 0.0 42.687925302652694 0.0 0.0 0.0 42.687925302652694" Properties=species:S:1:pos:R:3:forces:R:3 energy=-246.21658003738406 stress="-1.0981361230096938 -0.06939121140538707 -0.002360142251277786 -0.06939121140538707 -1.137067548838644 0.12886245543273844 -0.002360142251277786 0.12886245543273844 -1.117714405589564" pbc="F F F" Cs -0.01337263 -0.07745473 0.02102977 -0.03820764 -0.04073516 -0.04545609 Cs 4.30101535 4.29726020 -0.04494617 0.03280362 0.04421110 -0.09922869 Cs 4.21318996 0.08429083 4.29851159 0.05283603 -0.10301405 0.02968990 Cs -0.01183043 4.22437682 4.22508010 -0.09218261 0.06664922 0.04456284 Cs 8.52353463 -0.01502424 0.07674220 0.01995527 -0.06577036 -0.05931769 Cs 12.82615281 4.32675797 0.06000889 -0.01184389 0.04076418 -0.09136329 Cs 12.95693166 0.02850488 4.31071586 -0.02748679 -0.07773717 0.05481017 Cs 8.47863433 4.26422778 4.20982907 0.03752015 0.06293452 0.07663782 Cs 16.99737154 0.03792258 0.07168027 0.01370478 -0.06122495 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38.40048308 0.03544801 -0.01912493 0.05454543 Cs 17.15426174 17.02171187 34.07113139 -0.01204682 0.01638963 -0.05584596 Cs 21.32995073 21.34593102 34.14505126 0.01128421 0.00831278 -0.06099803 Cs 21.43988705 17.02683949 38.36349142 -0.01022482 0.01652372 0.05701245 Cs 17.02026220 21.32570893 38.48871259 0.02246425 -0.00483212 0.05058994 Cs 25.69523863 17.13407867 34.19726257 -0.02728856 -0.01083071 -0.09154506 Cs 29.85641434 21.29080244 34.14402361 -0.01874117 0.02180022 -0.08716043 Cs 29.95341398 17.05524471 38.42772804 -0.02365289 0.00357999 0.07152151 Cs 25.66464840 21.41834248 38.45165913 -0.01089817 -0.01019075 0.05802223 Cs 34.14488614 16.99950832 34.16568690 -0.06181376 0.03159412 -0.07583275 Cs 38.44345956 21.34154807 34.22167859 0.06955363 -0.00420556 -0.06585926 Cs 38.41173730 17.04306816 38.43840690 0.05616412 0.00592290 0.06127098 Cs 34.10230844 21.43164832 38.40546844 -0.05179730 -0.01141369 0.07253336 Cs -0.02503499 25.55619013 34.21915415 -0.07629386 0.01479231 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38.34782892 -0.00516017 -0.01236222 0.06938029 Cs 25.63870467 29.83827876 38.37046609 -0.01041023 -0.00874628 0.07321540 Cs 34.13817920 25.65632740 34.13241283 -0.08294238 -0.02235358 -0.06710820 Cs 38.45976282 29.75088551 34.19673019 0.08679811 0.01063286 -0.05026134 Cs 38.39130030 25.59921966 38.45960825 0.06051384 -0.00291773 0.06686065 Cs 34.13559788 29.88165439 38.40769421 -0.04787457 -0.00653760 0.08844119 Cs 0.02330958 34.19607607 34.07111556 -0.10100881 -0.04597268 -0.03278249 Cs 4.32635856 38.45765364 34.09502618 0.03828745 0.09853486 -0.03367798 Cs 4.19154847 34.13968816 38.35653215 0.05571458 -0.03444327 0.10058301 Cs -0.08128724 38.49717584 38.38744685 -0.03455300 0.03718246 0.03484226 Cs 8.51580911 34.10840650 34.17966075 0.03258377 -0.05891438 -0.07941689 Cs 12.87064609 38.48983885 34.08682590 -0.01556981 0.07748971 -0.04311113 Cs 12.80382588 34.11560264 38.33919974 0.00471388 -0.03621260 0.08806276 Cs 8.52313037 38.35407469 38.38939354 0.01554885 0.06276092 0.06391348 Cs 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