64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=493.42208666804476 stress="-0.0031148634324573788 -0.0004919831822340873 -0.0009090362505794281 -0.0004919831822340873 -0.0036317863634099776 -3.9131352248304434e-05 -0.0009090362505794281 -3.9131352248304434e-05 -0.0028180525886767004" pbc="F F F" Rb 35.22086729 34.98310996 34.77096654 -7.22898118 -5.21074084 -6.35652277 Rb 36.59933616 35.93572417 35.98055861 -17.22654279 -49.24862226 32.82958472 Rb 37.14715992 37.22516294 35.23402360 -1.68728442 19.57907462 -62.27278473 Rb 37.93229823 38.31172061 36.19084223 22.56444739 31.47003482 21.45344668 Rb 36.90181109 35.14771729 38.20399864 3.58199451 -3.24980996 0.76173000 Rb 39.35802973 36.07349581 38.45018589 -1.92434434 -42.97870846 13.35129401 Rb 34.76884260 38.20444678 38.02575960 -7.01635142 -2.06499354 -3.01283209 Rb 36.55604684 39.07636534 38.99475015 -68.31456641 156.57641459 -86.49063909 Rb 40.23975440 35.55577733 35.25284888 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24.73716432 13.64759963 Rb 35.32748320 43.17266772 37.63905551 -9.31775861 -18.22098557 -39.32595038 Rb 35.62405733 43.90883770 39.11824152 7.04471557 21.83785870 38.85937453 Rb 40.53523149 40.23161253 35.16239131 -10.41027275 -8.82402825 -14.41864753 Rb 41.60365422 41.12475624 36.46651109 -15.45394911 34.52544281 -12.81388434 Rb 41.65903605 43.33357737 34.74691298 -0.57178065 1.51053018 -2.49015323 Rb 43.62645804 43.01529842 36.36792425 2.73880685 1.42249577 0.08374327 Rb 42.58087455 40.09122498 37.35935114 9.37347609 -19.30526560 29.79950593 Rb 43.73510397 41.07781524 38.65337001 9.51919934 5.81522249 8.56809621 Rb 39.66448343 42.68403127 37.11226018 94.90332971 -55.79236240 61.33474118 Rb 40.97555741 43.31914392 38.89352680 -48.30270488 10.68305059 -27.61445526 Rb 34.79982066 35.07367197 39.04841791 -6.27636249 -2.21117775 0.65124626 Rb 36.13897766 36.35282927 40.68258771 -3.10458701 -5.52252793 5.40024155 Rb 37.00297454 37.99791377 39.62151619 54.34884454 -160.23224203 75.98122398 Rb 38.27194644 38.51894432 40.89808557 -19.59279257 -46.94315238 41.01671207 Rb 37.27802779 34.89707798 42.78076306 -4.66572484 -3.04796109 0.25869660 Rb 39.32504773 35.75571598 43.18514430 -30.66455794 -40.85071130 13.73008317 Rb 34.99655912 38.38394969 42.94855137 -91.98663193 -40.11331418 -42.96760835 Rb 36.22422232 38.91950201 43.54655608 57.99037970 10.47295590 64.34225860 Rb 39.84872852 35.33267193 40.59175685 -11.95230744 -8.02149483 -4.24474848 Rb 41.48837336 36.00831489 41.43404765 -32.43991830 74.60575620 -37.70145381 Rb 42.84911873 37.47938511 40.25519775 -56.47257450 -56.28130894 -40.87187620 Rb 43.60556472 38.49425818 41.03735392 55.81249479 60.86889339 47.14378744 Rb 42.20384740 34.85081933 42.03810700 46.38412379 -79.64302091 38.49558723 Rb 43.73834421 35.59395484 43.64167490 3.23159129 0.73974647 3.36294265 Rb 40.32601112 37.00409575 42.87037689 28.19573186 40.37826953 -6.59389181 Rb 40.49688709 38.87243319 43.91468503 1.03244652 5.40362605 5.17742319 Rb 34.84442217 40.06446481 40.31129586 -7.14449364 -4.35676957 -0.33121743 Rb 35.76809379 41.92828416 40.86119907 5.69881986 -1.17415300 -11.51455209 Rb 37.89540336 42.21827495 39.80335328 -18.77456485 -24.29336176 -27.33015644 Rb 38.63834321 43.28337470 40.87827378 17.81097918 30.49995611 27.01096776 Rb 37.36102597 39.94186987 42.87644269 29.43327770 27.74117049 -17.48238173 Rb 39.15372295 41.22658139 43.72950645 -1.35967484 0.04316366 6.87865379 Rb 35.08175413 42.64192570 42.49502824 -8.93590738 6.35418493 15.59512375 Rb 37.05555040 43.97904124 43.25093911 1.14371066 2.16495573 1.67640018 Rb 39.08266425 39.72649649 40.28235295 34.61904225 47.55801040 -20.48252543 Rb 40.89974943 41.22892384 41.12165250 42.55379224 -73.65102418 -85.56158775 Rb 42.34497277 43.11583676 39.71375535 51.32425297 -5.65493579 29.92695535 Rb 43.91609134 43.82709812 41.74953070 1.83241814 1.06836198 0.24619379 Rb 42.76961237 40.00036892 42.15602423 -3.13171520 3.44429559 2.63455648 Rb 43.46907250 41.19521481 43.88955235 2.77021797 2.42554560 5.28670932 Rb 40.39757659 42.11536967 42.13716159 -38.55950254 76.11373892 83.11216102 Rb 41.75211220 43.77016552 43.57819544 0.22548267 2.12715017 1.97444755