504 Lattice="15.336977073387816 0.0 0.0 0.0 10.844880491495134 0.0 0.0 0.0 71.57255967580981" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1747.9719025965132 stress="0.0029682086425702127 2.5361093351241313e-11 -2.083145019752935e-06 2.5361093351241313e-11 0.0037645174015026608 1.3371492829723626e-07 -2.083145019752935e-06 1.3371492829723626e-07 -1.3542738933887479e-08" pbc="T T F" Cu 0.00664423 0.00652983 17.95688140 -0.00000821 -0.00000005 0.00000271 Cu 2.56280930 0.00652955 17.95688447 -0.00000903 0.00000022 0.00000100 Cu 1.28472058 1.81400976 19.17805564 -0.00000904 0.00000062 0.00000246 Cu 3.84088362 1.81400948 19.17806282 -0.00000757 0.00000089 0.00000022 Cu 2.56278671 0.00652990 20.46718266 -0.00000779 -0.00000026 0.00000260 Cu 5.11894965 0.00652971 20.46719140 -0.00000807 -0.00000011 -0.00000226 Cu 3.84084772 1.81400986 21.72532110 -0.00000855 0.00000136 0.00000014 Cu 6.39701056 1.81400988 21.72532904 -0.00000626 0.00000132 -0.00000218 Cu 5.11889877 0.00653035 23.01093205 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1.81401756 31.95523828 -0.00000214 0.00000160 0.00000189 Cu 1.28431510 1.81401775 31.95523814 0.00000063 0.00000139 0.00000260 Cu 15.34315387 0.00653929 33.23334393 0.00000024 -0.00000100 0.00000343 Cu 2.56233922 0.00653937 33.23334740 -0.00000018 -0.00000109 -0.00000011 Cu 1.28420096 1.81402109 34.51141261 -0.00000051 0.00000093 0.00000146 Cu 3.84036328 1.81402116 34.51141806 0.00000212 0.00000087 0.00000035 Cu 2.56222564 0.00654276 35.78950794 0.00000189 -0.00000158 0.00000179 Cu 5.11838828 0.00654267 35.78951370 0.00000133 -0.00000146 -0.00000217 Cu 3.84025203 1.81402429 37.06757850 0.00000116 0.00000052 -0.00000072 Cu 6.39641473 1.81402411 37.06758275 0.00000342 0.00000070 -0.00000120 Cu 5.11828023 0.00654560 38.34568726 0.00000353 -0.00000165 -0.00000010 Cu 7.67444331 0.00654535 38.34568910 0.00000273 -0.00000135 -0.00000259 Cu 6.39631173 1.81402675 39.62372121 0.00000270 0.00000042 -0.00000184 Cu 8.95247463 1.81402664 39.62372025 0.00000472 0.00000048 -0.00000079 Cu 7.67434632 0.00654770 40.90190202 0.00000472 -0.00000143 -0.00000043 Cu 10.23050951 0.00654768 40.90189915 0.00000384 -0.00000140 -0.00000154 Cu 8.95238521 1.81402866 42.17977705 0.00000390 0.00000020 -0.00000119 Cu 11.50854813 1.81402871 42.17977310 0.00000558 0.00000016 0.00000035 Cu 10.23042823 0.00654932 43.45827641 0.00000537 -0.00000145 0.00000041 Cu 12.78659125 0.00654940 43.45827275 0.00000461 -0.00000154 -0.00000028 Cu 11.50847625 1.81402983 44.73549504 0.00000456 0.00000009 -0.00000005 Cu 14.06463903 1.81402985 44.73549270 0.00000587 0.00000009 0.00000102 Cu 12.78652860 0.00655007 46.01540696 0.00000568 -0.00000120 0.00000133 Cu 15.34269145 0.00655000 46.01540665 0.00000498 -0.00000109 0.00000015 Cu 14.06458687 1.81403018 47.28999590 0.00000481 0.00000023 0.00000066 Cu 1.28377241 1.81403016 47.28999760 0.00000585 0.00000023 0.00000069 Cu 15.34264927 0.00655001 48.57560288 0.00000549 -0.00000050 0.00000134 Cu 2.56183498 0.00654998 48.57560621 0.00000492 -0.00000048 -0.00000047 Cu 1.28374141 1.81403011 49.83373843 0.00000481 0.00000036 0.00000036 Cu 3.83990408 1.81403009 49.83374218 0.00000548 0.00000034 -0.00000014 Cu 2.56181397 0.00654995 51.12286436 0.00000517 -0.00000002 0.00000025 Cu 5.11797687 0.00654998 51.12286760 0.00000471 -0.00000006 -0.00000084 Cu 3.83989145 1.81402996 52.34404060 0.00000517 0.00000031 -0.00000049 Cu 6.39605516 1.81402994 52.34404222 0.00000497 0.00000031 -0.00000047 Cu 0.00664426 3.62149001 17.95688138 -0.00000823 -0.00000009 0.00000273 Cu 2.56280927 3.62148966 17.95688460 -0.00000899 0.00000025 0.00000085 Cu 1.28472086 5.42896995 19.17805573 -0.00000935 0.00000060 0.00000232 Cu 3.84088374 5.42896972 19.17806293 -0.00000774 0.00000083 0.00000008 Cu 2.56278678 3.62148981 20.46718268 -0.00000786 0.00000002 0.00000255 Cu 5.11894955 3.62148974 20.46719143 -0.00000796 0.00000008 -0.00000231 Cu 3.84084764 5.42897006 21.72532111 -0.00000844 0.00000127 0.00000011 Cu 6.39701029 5.42897014 21.72532903 -0.00000597 0.00000117 -0.00000218 Cu 5.11889869 3.62149036 23.01093203 -0.00000650 -0.00000001 0.00000015 Cu 7.67506160 3.62149058 23.01093711 -0.00000672 -0.00000023 -0.00000386 Cu 6.39694456 5.42897099 24.28552490 -0.00000696 0.00000156 -0.00000213 Cu 8.95310749 5.42897107 24.28552586 -0.00000449 0.00000146 -0.00000220 Cu 7.67498395 3.62149171 25.56543967 -0.00000473 -0.00000022 -0.00000094 Cu 10.23114710 3.62149182 25.56543662 -0.00000530 -0.00000032 -0.00000263 Cu 8.95301931 5.42897244 26.84265974 -0.00000533 0.00000185 -0.00000228 Cu 11.50918231 5.42897251 26.84265345 -0.00000296 0.00000182 0.00000005 Cu 10.23105050 3.62149357 28.12115822 -0.00000303 -0.00000029 0.00000024 Cu 12.78721357 3.62149365 28.12115086 -0.00000366 -0.00000040 0.00000004 Cu 11.50907887 5.42897471 29.39903105 -0.00000361 0.00000191 -0.00000024 Cu 14.06524155 5.42897496 29.39902434 -0.00000105 0.00000166 0.00000261 Cu 12.78710501 3.62149621 30.67720820 -0.00000135 -0.00000060 0.00000260 Cu 15.34326762 3.62149647 30.67720445 -0.00000171 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0.00000018 -0.00000074 Cu 7.67434636 3.62150814 40.90190196 0.00000464 -0.00000176 -0.00000037 Cu 10.23050944 3.62150811 40.90189908 0.00000395 -0.00000173 -0.00000145 Cu 8.95238520 5.42898901 42.17977713 0.00000390 0.00000000 -0.00000129 Cu 11.50854822 5.42898894 42.17977310 0.00000546 0.00000006 0.00000037 Cu 10.23042821 3.62150959 43.45827635 0.00000541 -0.00000155 0.00000048 Cu 12.78659122 3.62150960 43.45827279 0.00000465 -0.00000158 -0.00000033 Cu 11.50847623 5.42899002 44.73549510 0.00000455 0.00000010 -0.00000015 Cu 14.06463902 5.42899008 44.73549262 0.00000590 0.00000002 0.00000111 Cu 12.78652863 3.62151030 46.01540700 0.00000566 -0.00000124 0.00000131 Cu 15.34269142 3.62151036 46.01540672 0.00000500 -0.00000129 0.00000006 Cu 14.06458675 5.42899055 47.28999591 0.00000493 0.00000003 0.00000065 Cu 1.28377239 5.42899054 47.28999757 0.00000588 0.00000002 0.00000075 Cu 15.34264922 3.62151049 48.57560288 0.00000559 -0.00000083 0.00000133 Cu 2.56183489 3.62151043 48.57560621 0.00000499 -0.00000073 -0.00000045 Cu 1.28374140 5.42899046 49.83373862 0.00000486 0.00000016 0.00000019 Cu 3.83990420 5.42899028 49.83374234 0.00000535 0.00000032 -0.00000025 Cu 2.56181392 3.62151015 51.12286435 0.00000524 -0.00000011 0.00000023 Cu 5.11797686 3.62151003 51.12286765 0.00000470 0.00000001 -0.00000090 Cu 3.83989178 5.42898994 52.34404074 0.00000478 0.00000042 -0.00000063 Cu 6.39605551 5.42898995 52.34404220 0.00000455 0.00000040 -0.00000043 Cu 0.00664473 7.23645030 17.95688146 -0.00000878 -0.00000016 0.00000265 Cu 2.56280966 7.23645004 17.95688471 -0.00000946 0.00000005 0.00000076 Cu 1.28472081 9.04393028 19.17805580 -0.00000932 0.00000041 0.00000230 Cu 3.84088380 9.04393009 19.17806292 -0.00000776 0.00000058 0.00000016 Cu 2.56278680 7.23645021 20.46718275 -0.00000788 -0.00000024 0.00000242 Cu 5.11894951 7.23645010 20.46719145 -0.00000795 -0.00000011 -0.00000237 Cu 3.84084763 9.04393048 21.72532112 -0.00000840 0.00000102 0.00000008 Cu 6.39701043 9.04393030 21.72532905 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9.04394695 39.62372024 0.00000469 0.00000052 -0.00000081 Cu 7.67434625 7.23646828 40.90190207 0.00000481 -0.00000176 -0.00000051 Cu 10.23050959 7.23646822 40.90189914 0.00000376 -0.00000166 -0.00000158 Cu 8.95238522 9.04394894 42.17977723 0.00000389 0.00000030 -0.00000138 Cu 11.50854829 9.04394898 42.17977313 0.00000540 0.00000023 0.00000033 Cu 10.23042824 7.23646971 43.45827651 0.00000540 -0.00000155 0.00000033 Cu 12.78659130 7.23646974 43.45827273 0.00000453 -0.00000154 -0.00000021 Cu 11.50847621 9.04395016 44.73549511 0.00000460 0.00000008 -0.00000013 Cu 14.06463903 9.04395018 44.73549255 0.00000585 0.00000006 0.00000120 Cu 12.78652852 7.23647048 46.01540698 0.00000578 -0.00000125 0.00000129 Cu 15.34269141 7.23647049 46.01540657 0.00000502 -0.00000128 0.00000023 Cu 14.06458674 9.04395050 47.28999588 0.00000493 0.00000023 0.00000067 Cu 1.28377246 9.04395040 47.28999754 0.00000583 0.00000032 0.00000077 Cu 15.34264917 7.23647059 48.57560297 0.00000563 -0.00000075 0.00000130 Cu 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39.62371600 0.00000274 0.00000045 -0.00000053 Cu 14.06480051 1.81402686 39.62371236 0.00000468 0.00000026 0.00000116 Cu 12.78667245 0.00654789 40.90189479 0.00000456 -0.00000163 0.00000129 Cu 15.34283518 0.00654812 40.90189355 0.00000389 -0.00000191 -0.00000017 Cu 14.06471107 1.81402880 42.17977029 0.00000387 0.00000006 0.00000021 Cu 1.28389659 1.81402884 42.17977147 0.00000557 0.00000002 0.00000053 Cu 15.34275395 0.00654949 43.45827188 0.00000536 -0.00000164 0.00000134 Cu 2.56193952 0.00654950 43.45827513 0.00000470 -0.00000165 -0.00000110 Cu 1.28382469 1.81402985 44.73549426 0.00000459 0.00000008 -0.00000024 Cu 3.83998726 1.81402983 44.73549811 0.00000600 0.00000010 -0.00000052 Cu 2.56187700 0.00654999 46.01540981 0.00000575 -0.00000109 0.00000029 Cu 5.11803974 0.00655005 46.01541332 0.00000511 -0.00000113 -0.00000162 Cu 3.83993509 1.81403016 47.29000143 0.00000506 0.00000019 -0.00000107 Cu 6.39609785 1.81403018 47.29000325 0.00000602 0.00000018 -0.00000051 Cu 5.11799762 0.00655007 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5.42897484 29.39903652 -0.00000340 0.00000171 -0.00000174 Cu 8.95291563 5.42897465 29.39903698 -0.00000096 0.00000196 -0.00000146 Cu 7.67477866 3.62149626 30.67721839 -0.00000095 -0.00000064 -0.00000055 Cu 10.23094200 3.62149610 30.67721534 -0.00000180 -0.00000048 -0.00000219 Cu 8.95280386 5.42897761 31.95524989 -0.00000196 0.00000171 -0.00000181 Cu 11.50896679 5.42897762 31.95524428 0.00000055 0.00000171 0.00000041 Cu 10.23082818 3.62149924 33.23335350 0.00000022 -0.00000079 0.00000035 Cu 12.78699122 3.62149931 33.23334724 -0.00000044 -0.00000086 -0.00000011 Cu 11.50885267 5.42898093 34.51141765 -0.00000063 0.00000129 -0.00000026 Cu 14.06501527 5.42898103 34.51141250 0.00000190 0.00000117 0.00000201 Cu 12.78687755 3.62150258 35.78950725 0.00000171 -0.00000118 0.00000199 Cu 15.34304025 3.62150276 35.78950473 0.00000103 -0.00000138 0.00000063 Cu 14.06490393 5.42898412 37.06757307 0.00000106 0.00000084 0.00000082 Cu 1.28408924 5.42898419 37.06757363 0.00000337 0.00000081 0.00000139 Cu 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