864 Lattice="15.336887427041031 0.0 0.0 15.33688742704103 18.783774219378646 0.0 0.0 0.0 70.838048676265" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2997.2111509203633 stress="0.0029713944451972307 -2.097188073714447e-07 -4.948013469264166e-07 -2.097188073714447e-07 0.002641297045662929 2.6642956037925186e-06 -4.948013469264166e-07 2.6642956037925186e-06 3.574823494153314e-07" pbc="T T F" Cu 0.00130587 -0.00692157 17.82592308 -0.00000168 0.00000878 0.00000115 Cu 3.83552754 2.09753761 18.45880431 -0.00000163 0.00000874 0.00000128 Cu 2.55745377 -0.00692162 17.82592312 -0.00000166 0.00000880 0.00000110 Cu 6.39167543 2.09753774 18.45880422 -0.00000167 0.00000871 0.00000129 Cu 17.89434045 16.70864982 19.16190787 -0.00000161 0.00000850 0.00000124 Cu 6.39167431 0.01641973 19.98108558 -0.00000169 0.00000853 0.00000109 Cu 20.45048833 16.70864990 19.16190779 -0.00000160 0.00000851 0.00000127 Cu 8.94782221 0.01641983 19.98108551 -0.00000153 0.00000849 0.00000109 Cu 20.45048710 14.61638109 20.65847989 -0.00000150 0.00000903 0.00000082 Cu 24.28470807 16.69730985 21.38232206 -0.00000151 0.00000803 0.00000081 Cu 23.00663501 14.61638121 20.65847978 -0.00000163 0.00000889 0.00000088 Cu 26.84085598 16.69730984 21.38232207 -0.00000154 0.00000786 0.00000086 Cu 23.00663265 12.52263796 22.16204167 -0.00000133 0.00000778 0.00000230 Cu 26.84085333 14.61257638 22.87141001 -0.00000144 0.00000765 0.00000114 Cu 25.56278056 12.52263800 22.16204165 -0.00000158 0.00000767 0.00000222 Cu 14.06011380 14.61257627 22.87141009 -0.00000142 0.00000758 0.00000125 Cu 10.22589028 10.43525974 23.60762658 -0.00000131 0.00000806 0.00000044 Cu 14.06011020 12.52359389 24.36451940 -0.00000138 0.00000713 -0.00000019 Cu 12.78203818 10.43525966 23.60762664 -0.00000140 0.00000811 0.00000046 Cu 16.61625810 12.52359380 24.36451947 -0.00000125 0.00000716 -0.00000023 Cu 12.78203458 8.35012355 25.08829271 -0.00000126 0.00000647 0.00000181 Cu 16.61625424 10.43602968 25.82650255 -0.00000116 0.00000606 0.00000144 Cu 15.33818249 8.35012343 25.08829280 -0.00000126 0.00000652 0.00000181 Cu 19.17240216 10.43602972 25.82650253 -0.00000123 0.00000588 0.00000151 Cu 15.33817796 6.26236857 26.57288052 -0.00000109 0.00000633 -0.00000008 Cu 19.17239758 8.34978574 27.30375382 -0.00000102 0.00000611 -0.00000025 Cu 17.89432587 6.26236854 26.57288054 -0.00000113 0.00000625 -0.00000010 Cu 21.72854549 8.34978586 27.30375374 -0.00000106 0.00000591 -0.00000021 Cu 17.89432103 4.17506437 28.04231942 -0.00000102 0.00000503 0.00000141 Cu 6.39165268 6.26245361 28.78397895 -0.00000092 0.00000425 0.00000149 Cu 5.11358150 4.17506445 28.04231936 -0.00000087 0.00000505 0.00000153 Cu 8.94780057 6.26245369 28.78397889 -0.00000076 0.00000435 0.00000156 Cu 5.11357604 2.08841474 29.51846392 -0.00000082 0.00000452 0.00000017 Cu 8.94779487 4.17526584 30.25686289 -0.00000061 0.00000384 -0.00000027 Cu 7.66972394 2.08841484 29.51846385 -0.00000074 0.00000449 0.00000013 Cu 11.50394278 4.17526581 30.25686292 -0.00000071 0.00000392 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0.00000018 -0.00000101 -0.00000012 Cu 17.89428994 12.52395264 35.42305797 0.00000003 -0.00000032 0.00000045 Cu 21.72850852 14.61101514 36.16080523 0.00000010 -0.00000103 -0.00000017 Cu 17.89428329 10.43685813 36.89802503 0.00000029 -0.00000121 -0.00000075 Cu 21.72850189 12.52405974 37.63676103 0.00000035 -0.00000207 -0.00000076 Cu 20.45043119 10.43685819 36.89802499 0.00000030 -0.00000114 -0.00000076 Cu 24.28464979 12.52405980 37.63676099 0.00000042 -0.00000212 -0.00000073 Cu 20.45042463 8.34979561 38.37486914 0.00000065 -0.00000285 0.00000043 Cu 8.94775603 10.43693701 39.11115691 0.00000058 -0.00000325 0.00000011 Cu 7.66968513 8.34979569 38.37486909 0.00000036 -0.00000293 0.00000042 Cu 11.50390393 10.43693698 39.11115693 0.00000063 -0.00000336 0.00000009 Cu 7.66967903 6.26293901 39.85074719 0.00000074 -0.00000332 -0.00000123 Cu 11.50389785 8.34978997 40.58914624 0.00000078 -0.00000401 -0.00000146 Cu 10.22582694 6.26293901 39.85074718 0.00000063 -0.00000328 -0.00000120 Cu 14.06004576 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Cu 6.39158363 0.00294507 46.49998365 0.00000136 -0.00000725 -0.00000170 Cu 20.45039902 16.69838502 45.74309099 0.00000137 -0.00000700 -0.00000163 Cu 8.94773154 0.00294510 46.49998362 0.00000141 -0.00000732 -0.00000162 Cu 20.45039541 14.60940268 47.23620015 0.00000139 -0.00000787 -0.00000078 Cu 24.28461606 16.69934113 47.94556842 0.00000154 -0.00000819 -0.00000041 Cu 23.00654331 14.60940272 47.23620012 0.00000151 -0.00000786 -0.00000078 Cu 26.84076398 16.69934110 47.94556845 0.00000144 -0.00000824 -0.00000045 Cu 23.00654072 12.52466928 48.72528800 0.00000154 -0.00000839 -0.00000111 Cu 26.84076164 14.60559779 49.44913044 0.00000157 -0.00000818 -0.00000140 Cu 25.56268863 12.52466926 48.72528800 0.00000153 -0.00000823 -0.00000102 Cu 14.06002211 14.60559773 49.44913049 0.00000156 -0.00000812 -0.00000144 Cu 10.22579977 10.42178503 50.12652448 0.00000147 -0.00000825 -0.00000095 Cu 14.06002092 12.51332895 50.94570247 0.00000160 -0.00000876 -0.00000106 Cu 12.78194767 10.42178499 50.12652453 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20.65847947 -0.00000166 0.00000838 0.00000097 Cu 14.06011652 4.17479357 21.38232194 -0.00000159 0.00000831 0.00000080 Cu 12.78204354 2.09386507 20.65847954 -0.00000151 0.00000847 0.00000098 Cu 16.61626442 4.17479347 21.38232203 -0.00000153 0.00000856 0.00000076 Cu 12.78204117 0.00012178 22.16204157 -0.00000144 0.00000804 0.00000141 Cu 16.61626183 2.09006006 22.87140991 -0.00000144 0.00000756 0.00000137 Cu 15.33818908 0.00012166 22.16204167 -0.00000148 0.00000815 0.00000121 Cu 3.83552232 2.09006008 22.87140989 -0.00000149 0.00000763 0.00000129 Cu 15.33818616 16.69651768 23.60762663 -0.00000136 0.00000739 0.00000127 Cu 3.83551868 0.00107771 24.36451921 -0.00000131 0.00000719 0.00000085 Cu 17.89433407 16.69651764 23.60762666 -0.00000143 0.00000742 0.00000125 Cu 6.39166659 0.00107782 24.36451913 -0.00000136 0.00000710 0.00000076 Cu 17.89433039 14.61138144 25.08829298 -0.00000124 0.00000720 0.00000059 Cu 21.72855010 16.69728790 25.82650242 -0.00000128 0.00000639 0.00000050 Cu 20.45047830 14.61138151 25.08829292 -0.00000130 0.00000722 0.00000065 Cu 24.28469799 16.69728799 25.82650235 -0.00000110 0.00000631 0.00000063 Cu 20.45047374 12.52362669 26.57288056 -0.00000101 0.00000606 0.00000190 Cu 24.28469339 14.61104407 27.30375367 -0.00000107 0.00000527 0.00000087 Cu 23.00662165 12.52362681 26.57288048 -0.00000119 0.00000602 0.00000180 Cu 26.84084128 14.61104404 27.30375368 -0.00000098 0.00000525 0.00000093 Cu 23.00661681 10.43632259 28.04231957 -0.00000084 0.00000545 0.00000006 Cu 11.50394849 12.52371171 28.78397915 -0.00000096 0.00000485 -0.00000021 Cu 10.22587730 10.43632262 28.04231954 -0.00000106 0.00000554 0.00000005 Cu 14.06009638 12.52371160 28.78397922 -0.00000074 0.00000482 -0.00000019 Cu 10.22587183 8.34967295 29.51846389 -0.00000080 0.00000392 0.00000151 Cu 14.06009070 10.43652380 30.25686308 -0.00000079 0.00000332 0.00000102 Cu 12.78201973 8.34967286 29.51846394 -0.00000074 0.00000409 0.00000148 Cu 16.61623859 10.43652372 30.25686313 -0.00000060 0.00000326 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15.33819123 8.35512303 20.65847972 -0.00000150 0.00000817 0.00000178 Cu 19.17241213 10.43605157 21.38232225 -0.00000141 0.00000791 0.00000149 Cu 17.89433913 8.35512300 20.65847975 -0.00000157 0.00000803 0.00000179 Cu 21.72856004 10.43605169 21.38232215 -0.00000158 0.00000779 0.00000149 Cu 17.89433691 6.26137968 22.16204170 -0.00000158 0.00000826 0.00000010 Cu 21.72855750 8.35131822 22.87141000 -0.00000141 0.00000789 0.00000015 Cu 20.45048481 6.26137976 22.16204162 -0.00000143 0.00000817 0.00000037 Cu 8.94781798 8.35131832 22.87140992 -0.00000144 0.00000771 0.00000032 Cu 5.11359462 4.17400158 23.60762639 -0.00000145 0.00000736 0.00000150 Cu 8.94781446 6.26233598 24.36451898 -0.00000129 0.00000693 0.00000181 Cu 7.66974252 4.17400171 23.60762629 -0.00000139 0.00000720 0.00000158 Cu 11.50396236 6.26233595 24.36451899 -0.00000136 0.00000700 0.00000186 Cu 7.66973886 2.08886552 25.08829260 -0.00000126 0.00000700 0.00000069 Cu 11.50395851 4.17477181 25.82650224 -0.00000119 0.00000656 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45.01931736 0.00000128 -0.00000671 -0.00000122 Cu 23.00654690 10.43712698 45.74309094 0.00000128 -0.00000687 -0.00000110 Cu 11.50387936 12.52546123 46.49998358 0.00000148 -0.00000762 -0.00000103 Cu 10.22580737 10.43712697 45.74309095 0.00000141 -0.00000691 -0.00000130 Cu 14.06002727 12.52546116 46.49998363 0.00000134 -0.00000738 -0.00000100 Cu 10.22580383 8.34814463 47.23620014 0.00000144 -0.00000795 -0.00000039 Cu 14.06002446 10.43808297 47.94556850 0.00000137 -0.00000818 -0.00000091 Cu 12.78195174 8.34814456 47.23620018 0.00000143 -0.00000762 -0.00000041 Cu 16.61617235 10.43808295 47.94556852 0.00000159 -0.00000813 -0.00000095 Cu 12.78194918 6.26341111 48.72528813 0.00000153 -0.00000785 -0.00000134 Cu 16.61617009 8.34433965 49.44913054 0.00000144 -0.00000837 -0.00000161 Cu 15.33809709 6.26341106 48.72528817 0.00000149 -0.00000774 -0.00000139 Cu 19.17231798 8.34433969 49.44913051 0.00000165 -0.00000842 -0.00000163 Cu 15.33809561 4.16052688 50.12652455 0.00000162 -0.00000840 0.00000014 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