72 Lattice="15.705695801486414 0.0 0.0 5.235231933828804 14.458873521940099 0.0 0.0 0.0 21.341805962036666" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-279.37138981715174 stress="0.00023081233303663183 -2.4298924181869525e-06 1.8414809263130586e-07 -2.4298924181869525e-06 0.0007051241421302505 -7.492463988177233e-07 1.8414809263130586e-07 -7.492463988177233e-07 -1.1844968508994809e-05" dipole="2.550578689853704 -4.395612344499992 0.16679125543307663" magmom=2.30512096968363e-14 pbc="T T F" Al 2.61732127 0.11197334 9.52777910 0.00000000 0.00077328 -0.00364281 -0.00122326 0.00000000 Al 15.72632385 1.80440065 11.70498278 0.00000000 0.00372118 -0.00001020 0.00082544 -0.00000000 Se 2.61767599 1.80724748 11.45527787 0.00000000 0.00007119 0.00022787 0.00232518 -0.00000000 Se -0.03137135 0.00245614 9.93537968 0.00000000 -0.00207211 0.00403498 -0.00313884 0.00000000 Se 2.61749871 1.80731393 7.81195399 0.00000000 0.00014452 -0.00058448 0.00156168 0.00000000 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11.31704966 0.00000000 -0.00168058 -0.00021954 -0.00282800 -0.00000000 Se 5.22801571 10.84638424 9.91602533 0.00000000 -0.00122023 0.00338750 -0.00086078 0.00000000 Br 7.85558108 12.59188570 7.79681664 0.00000000 0.00226893 0.00067685 -0.00120605 0.00000000 Br 5.26199347 10.84165148 13.46888255 0.00000000 -0.00347303 0.00185269 0.00074902 -0.00000000 Al 13.09198473 0.00599310 9.68447282 0.00000000 -0.00123550 -0.00083754 -0.00368759 -0.00000000 Al 10.47058169 1.80718858 11.72902663 0.00000000 -0.00018044 0.00013483 0.00395966 -0.00000000 Se 13.07762057 1.80417930 11.46035815 0.00000000 0.00110805 0.00141332 -0.00255618 -0.00000000 Se 10.47004233 -0.00046071 9.96222945 0.00000000 -0.00006243 0.00066122 0.00414576 -0.00000000 Br 13.06237844 1.81006201 7.89041417 0.00000000 -0.00271726 0.00275589 0.00046993 -0.00000000 Br 10.47327394 -0.01278428 13.51975127 0.00000000 0.00088108 0.00080926 -0.00046140 -0.00000000 Al 13.09179916 3.60863943 9.68793885 0.00000000 -0.00074304 -0.00128146 0.00024904 -0.00000000 Al 10.46902513 5.42716370 11.71522994 0.00000000 -0.00003320 0.00194560 0.00502383 0.00000000 Se 13.08359391 5.43022502 11.44412950 0.00000000 -0.00029229 -0.00369560 -0.00508689 0.00000000 Se 10.47104947 3.61492681 9.96227890 0.00000000 0.00008828 -0.00088221 0.00392919 -0.00000000 Br 13.07605089 5.41752460 7.88139368 0.00000000 -0.00294397 0.00579335 0.00222282 -0.00000000 Br 10.46777543 3.62723486 13.51976590 0.00000000 -0.00086916 -0.00099553 -0.00053137 0.00000000 Al 13.08836627 7.22479816 9.66291778 0.00000000 0.00013129 0.00163744 0.00719325 0.00000000 Al 10.46158399 9.04506995 11.69297023 0.00000000 0.00187643 -0.00056473 0.00710993 -0.00000000 Se 13.08815270 9.03665195 11.42980266 0.00000000 -0.00027006 0.00006719 -0.00445266 0.00000000 Se 10.47331306 7.22994572 9.94196187 0.00000000 -0.00017151 -0.00280481 -0.00001840 -0.00000000 Br 13.08807831 9.03666732 7.87252413 0.00000000 0.00008546 0.00002019 -0.00560740 0.00000000 Br 10.45487235 7.25200963 13.49861079 0.00000000 0.00036071 -0.00236712 0.00035429 0.00000000 Al 13.08783332 10.84852926 9.66289324 0.00000000 0.00002092 -0.00165021 0.00752280 0.00000000 Al 10.45011859 12.66331190 11.68919204 0.00000000 0.00016303 -0.00201422 0.00375904 0.00000000 Se 13.09271374 12.64309127 11.44414159 0.00000000 0.00000138 0.00382455 -0.00529193 0.00000000 Se 10.48061791 10.84646002 9.92857398 0.00000000 0.00064017 -0.00027450 0.00177051 -0.00000000 Br 13.10013650 12.65582004 7.88145196 0.00000000 0.00306369 -0.00576444 0.00190081 -0.00000000 Br 10.42794059 10.85822467 13.48144430 0.00000000 0.00362337 0.00061020 0.00128015 -0.00000000 Al 2.61796830 3.50262030 9.52763818 0.00000000 -0.00059515 0.00399049 -0.00007501 -0.00000000 Al 15.72614951 5.41003461 11.68923308 0.00000000 0.00017451 0.00215101 0.00386531 0.00000000 Se 2.61826622 5.36560449 11.31710770 0.00000000 0.00149066 0.00020197 -0.00319325 -0.00000000 Se 15.67382531 3.60933080 9.93727117 0.00000000 -0.00186775 0.00043365 -0.00154136 0.00000000 Br 2.61497491 5.48157352 7.79683436 0.00000000 -0.00231025 -0.00074312 -0.00138645 0.00000000 Br 15.71930591 3.61535398 13.49675041 0.00000000 -0.00354248 -0.00177056 -0.00059742 0.00000000 Al 2.61794072 7.20726901 9.58750996 0.00000000 -0.00022872 0.00519934 -0.00428241 -0.00000000 Al 15.71461128 9.02831828 11.69296951 0.00000000 -0.00176953 0.00004048 0.00697051 -0.00000000 Se 18.32580076 9.00973610 11.38021229 0.00000000 -0.00057822 -0.00077073 -0.00124992 -0.00000000 Se 15.69565532 7.22683688 9.92857255 0.00000000 -0.00072821 0.00062351 0.00185488 0.00000000 Br 18.31627139 9.06704377 7.83780350 0.00000000 -0.00453223 -0.00183645 0.00087577 0.00000000 Br 15.74832160 7.21509074 13.48140904 0.00000000 -0.00366119 -0.00063736 0.00153812 -0.00000000 Al 18.32370197 10.84770474 9.64103809 0.00000000 0.00032125 -0.00348496 -0.00264816 0.00000000 Al 15.70731268 12.64613291 11.71519732 0.00000000 -0.00019461 -0.00175162 0.00513613 -0.00000000 Se 18.31947945 12.63247919 11.43122606 0.00000000 0.00133374 0.00865130 0.00092132 -0.00000000 Se 15.70295052 10.84338760 9.94195822 0.00000000 0.00021698 0.00282080 -0.00018376 -0.00000000 Br 18.30880474 12.66737220 7.87218621 0.00000000 -0.00543636 -0.00069098 -0.00059415 0.00000000 Br 15.72133644 10.82120755 13.49863770 0.00000000 -0.00034592 0.00282300 0.00033139 0.00000000