500 Lattice="42.68792510889304 0.0 0.0 0.0 42.68792510889304 0.0 0.0 0.0 42.68792510889304" Properties=species:S:1:pos:R:3:forces:R:3 energy=-246.2804272300181 stress="-0.7810858570024861 0.11728480585763157 0.06482599585626758 0.11728480585763157 -0.6744159757069639 -0.090536488238385 0.06482599585626758 -0.090536488238385 -0.7927086911317893" pbc="F F F" Cs -0.07538281 -0.04582247 0.04389749 -0.04025855 -0.04066307 -0.04199111 Cs 4.30423572 4.19871299 0.08001698 0.03096846 0.06009741 -0.10590335 Cs 4.25879766 0.04635018 4.28374733 0.04491252 -0.10777756 0.05257488 Cs 0.03895576 4.23550908 4.29309481 -0.09827352 0.06045047 0.04321692 Cs 8.58949270 0.04491923 -0.00488750 0.00355209 -0.07082841 -0.06411616 Cs 12.76126231 4.26019937 -0.08467648 0.01682594 0.04733036 -0.07018521 Cs 12.71425441 0.00777224 4.27413185 0.02316617 -0.07617132 0.04010708 Cs 8.46218771 4.33210313 4.27781354 0.03625383 0.06334119 0.07195615 Cs 17.16717403 -0.05936666 -0.08379951 -0.01361075 -0.04965264 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0.02078384 0.05546041 Cs 25.68266299 29.90367716 38.43865043 -0.01329487 -0.01958002 0.05646873 Cs 34.06606000 25.67319749 34.11059886 -0.04852496 -0.00616753 -0.05259500 Cs 38.47754210 29.93848148 34.10867447 0.07837939 -0.02562111 -0.05819038 Cs 38.49966065 25.72925253 38.44445792 0.04609827 -0.01075073 0.04654373 Cs 34.15510813 29.95244857 38.33531403 -0.05904552 -0.04290905 0.08423875 Cs -0.01366492 34.09757301 34.21394577 -0.10025035 -0.02663357 -0.08074423 Cs 4.25046071 38.47455295 34.22146626 0.04186530 0.08548492 -0.06411488 Cs 4.22815540 34.15054966 38.36853522 0.07267111 -0.03506674 0.10037822 Cs 0.05227843 38.38010344 38.40485144 -0.05397569 0.05086857 0.05138972 Cs 8.68026354 34.22936796 34.11815468 -0.01008619 -0.08150130 -0.06113995 Cs 12.89346075 38.41217992 34.14785007 0.00166635 0.08410238 -0.05498054 Cs 12.87893588 34.08897793 38.39575836 -0.00900768 -0.03839932 0.08271587 Cs 8.56677833 38.50019986 38.37737318 0.01530834 0.05129257 0.06418704 Cs 17.09942628 34.13840919 34.09370953 -0.00429690 -0.09533046 -0.06042535 Cs 21.30886152 38.36195702 34.14485432 0.00831856 0.09529650 -0.05428981 Cs 21.41971291 34.22275412 38.42966192 -0.01230454 -0.07863220 0.07974075 Cs 17.13786001 38.40169594 38.35850088 -0.00753762 0.06194581 0.06860138 Cs 25.54440444 34.21793746 34.15390528 0.02524721 -0.08719114 -0.06779648 Cs 29.91716452 38.44715217 34.17056085 -0.01223001 0.06565797 -0.04726171 Cs 29.90820666 34.08484140 38.47868594 -0.02332022 -0.02864260 0.06893505 Cs 25.55971670 38.49710414 38.47560323 0.01329476 0.05799393 0.05290528 Cs 34.20805158 34.13460397 34.14647827 -0.08244791 -0.05616552 -0.07642342 Cs 38.34780616 38.44979179 34.19706642 0.08421672 0.07766425 -0.04154843 Cs 38.37239423 34.14376133 38.41542178 0.08492668 -0.03501971 0.07972472 Cs 34.21331227 38.41104361 38.37196401 -0.05084602 0.07492819 0.08299771