864 Lattice="50.45338772371507 0.0 0.0 0.0 50.45338772371507 0.0 0.0 0.0 50.45338772371507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-460.2226384340557 stress="-1.6793185554852528 -0.17128215906899236 -0.09835091220424408 -0.17128215906899236 -1.5986614756821211 -0.3471034356165035 -0.09835091220424408 -0.3471034356165035 -1.7663172585250124" pbc="F F F" Cs 0.00546434 0.06571316 0.00965867 -0.05482977 -0.05462803 -0.04653307 Cs 4.16414853 4.20093258 -0.00478299 0.05915923 0.05035869 -0.11293997 Cs 4.22619228 0.07705437 4.24906526 0.04766499 -0.12413202 0.03022063 Cs 0.05651393 4.27325589 4.27587172 -0.12281379 0.03553280 0.03692125 Cs 8.49163153 -0.07020794 -0.07310089 -0.00071091 -0.06580770 -0.07573618 Cs 12.71299178 4.21783298 0.03982326 -0.01601313 0.06397565 -0.10089065 Cs 12.50294566 0.01081840 4.21208168 0.01685955 -0.09949436 0.05553512 Cs 8.36688606 4.16626001 4.12347514 0.02233463 0.10072105 0.08719662 Cs 16.78686704 -0.03646970 -0.05471795 0.01160908 -0.07202851 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-0.00617027 -0.11406348 Cs 29.50425880 37.92312290 41.99539981 -0.01703961 -0.04963341 -0.05960883 Cs 29.39570260 33.51616670 46.20588519 0.00881141 0.01554477 0.07263247 Cs 25.23117144 37.72923407 46.19181564 0.01610838 0.01482017 0.08183438 Cs 33.53162093 33.59288440 41.96846710 0.00552769 -0.01280222 -0.08394501 Cs 37.89910996 37.89539878 42.01638101 -0.03631168 -0.02750896 -0.08028077 Cs 37.79467823 33.70383518 46.17159408 -0.00767486 -0.02576803 0.07698909 Cs 33.72329067 37.73623773 46.22254118 -0.02381454 -0.00157890 0.07478699 Cs 42.01976234 33.60951531 42.07616120 -0.08072583 -0.01194581 -0.08233924 Cs 46.17994469 37.77332098 42.00430143 0.10220675 -0.01478184 -0.04992953 Cs 46.31793292 33.65071808 46.26645437 0.06325200 -0.00884337 0.07133558 Cs 42.03449899 37.83765549 46.20278068 -0.05195071 -0.01405091 0.10240378 Cs -0.08154247 42.11742543 41.99898967 -0.10440153 -0.06065316 -0.03763115 Cs 4.18011553 46.29888290 41.99089648 0.04708287 0.10954932 -0.03784124 Cs 4.27780334 42.01046526 46.25474536 0.03979441 -0.03868586 0.10410471 Cs 0.05117030 46.25181387 46.18934224 -0.05027241 0.05178507 0.05904577 Cs 8.36724688 42.10028348 42.04020243 0.02015749 -0.10184709 -0.06810875 Cs 12.56621097 46.17836729 42.06006323 0.01438397 0.10755042 -0.06253573 Cs 12.62371131 42.10522847 46.22674574 0.00029301 -0.08009827 0.09841596 Cs 8.43325970 46.20339925 46.22978645 0.00081276 0.08683703 0.08200782 Cs 16.87466490 42.00737421 42.00843400 0.00526465 -0.06978300 -0.08133530 Cs 20.95522508 46.27965075 42.05592549 0.00554226 0.08056934 -0.06406999 Cs 20.94969175 42.11039177 46.32222361 0.01570036 -0.06379382 0.08790993 Cs 16.71097302 46.29442904 46.29349686 0.00807970 0.07337363 0.06530576 Cs 25.26803854 42.02097380 42.03969583 -0.02207280 -0.07541831 -0.07190773 Cs 29.37726089 46.19061181 42.12548241 0.00396741 0.10051118 -0.07788189 Cs 29.47397607 42.06476235 46.29124021 -0.01388561 -0.07493767 0.10424020 Cs 25.14722649 46.30207383 46.19725374 0.00285079 0.06607036 0.07501751 Cs 33.59861219 42.05981551 42.09187689 0.01723860 -0.07840685 -0.07005542 Cs 37.76821535 46.30990614 42.05423926 -0.00134693 0.09482992 -0.05489375 Cs 37.89209622 42.12511167 46.26190105 -0.03640454 -0.06708238 0.09559706 Cs 33.55937550 46.30812107 46.26710552 0.00774232 0.07280347 0.07480592 Cs 41.98877959 42.09680061 41.97545726 -0.06865455 -0.06576510 -0.06373072 Cs 46.17891093 46.19105665 42.05501686 0.08357675 0.09438317 -0.04643670 Cs 46.25410712 42.00412683 46.17160539 0.08403016 -0.03877698 0.08602849 Cs 41.99893746 46.21706133 46.26893077 -0.02668085 0.09044869 0.08530741