504 Lattice="15.439330505331174 0.0 0.0 0.0 10.917255297299999 0.0 0.0 0.0 36.02510451243941" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1630.4131964044268 stress="28.61593577641064 -1.3592879488655285e-07 -0.024370075664116975 -1.3592879488655285e-07 23.152362820439812 0.001096888939037477 -0.024370075664116975 0.001096888939037477 2.411656195722145e-05" pbc="T T F" Cu 0.00661049 0.00653590 0.09179702 -0.00000809 0.00000034 -0.00000024 Cu 2.57983220 0.00653619 0.09179702 -0.00000802 0.00000011 0.00000009 Cu 1.29321591 1.82607857 1.30151182 -0.00000753 -0.00000033 -0.00000005 Cu 3.86643778 1.82607864 1.30151184 -0.00000825 -0.00000040 -0.00000025 Cu 2.57981303 0.00653603 2.57771131 -0.00000777 0.00000086 -0.00000061 Cu 5.15303477 0.00653610 2.57771114 -0.00000742 0.00000079 0.00000045 Cu 3.86640394 1.82607883 3.86329764 -0.00000647 -0.00000101 0.00000014 Cu 6.43962576 1.82607885 3.86329754 -0.00000783 -0.00000101 -0.00000029 Cu 5.15298766 0.00653616 5.14944192 -0.00000693 0.00000141 -0.00000090 Cu 7.72620935 0.00653622 5.14944171 -0.00000630 0.00000134 0.00000086 Cu 6.43956470 1.82607910 6.43631634 -0.00000491 -0.00000145 0.00000034 Cu 9.01278659 1.82607906 6.43631629 -0.00000698 -0.00000143 -0.00000034 Cu 7.72613668 0.00653646 7.72288447 -0.00000562 0.00000182 -0.00000119 Cu 10.29935838 0.00653647 7.72288426 -0.00000482 0.00000183 0.00000124 Cu 9.01270399 1.82607942 9.00949894 -0.00000295 -0.00000174 0.00000046 Cu 11.58592593 1.82607939 9.00949897 -0.00000577 -0.00000169 -0.00000040 Cu 10.29926777 0.00653684 10.29611416 -0.00000392 0.00000223 -0.00000152 Cu 12.87248946 0.00653684 10.29611399 -0.00000294 0.00000220 0.00000158 Cu 11.58582822 1.82607994 11.58272216 -0.00000068 -0.00000186 0.00000051 Cu 14.15905020 1.82607994 11.58272229 -0.00000414 -0.00000185 -0.00000052 Cu 12.87238683 0.00653745 12.86933411 -0.00000195 0.00000240 -0.00000188 Cu 0.00627801 0.00653748 12.86933393 -0.00000090 0.00000237 0.00000184 Cu 14.15894383 1.82608070 14.15594468 0.00000158 -0.00000185 0.00000052 Cu 1.29283537 1.82608070 14.15594477 -0.00000253 -0.00000185 -0.00000056 Cu 15.44550077 0.00653836 15.44255569 -0.00000017 0.00000241 -0.00000216 Cu 2.57939196 0.00653839 15.44255540 0.00000095 0.00000237 0.00000213 Cu 1.29272718 1.82608173 16.72916641 0.00000347 -0.00000173 0.00000051 Cu 3.86594926 1.82608175 16.72916646 -0.00000110 -0.00000173 -0.00000057 Cu 2.57928555 0.00653957 18.01577739 0.00000136 0.00000222 -0.00000229 Cu 5.15250724 0.00653961 18.01577713 0.00000250 0.00000217 0.00000234 Cu 3.86584525 1.82608308 19.30238810 0.00000505 -0.00000159 0.00000059 Cu 6.43906732 1.82608311 19.30238825 0.00000021 -0.00000163 -0.00000055 Cu 5.15240772 0.00654110 20.58899918 0.00000267 0.00000185 -0.00000240 Cu 7.72562939 0.00654113 20.58899898 0.00000376 0.00000181 0.00000231 Cu 6.43897265 1.82608469 21.87560977 0.00000611 -0.00000144 0.00000045 Cu 9.01219472 1.82608467 21.87560989 0.00000129 -0.00000142 -0.00000059 Cu 7.72554128 0.00654281 23.16222180 0.00000355 0.00000133 -0.00000236 Cu 10.29876295 0.00654278 23.16222145 0.00000453 0.00000135 0.00000226 Cu 9.01211313 1.82608635 24.44882980 0.00000653 -0.00000125 0.00000035 Cu 11.58533518 1.82608631 24.44882970 0.00000203 -0.00000119 -0.00000048 Cu 10.29868911 0.00654448 25.73544501 0.00000404 0.00000086 -0.00000212 Cu 12.87191080 0.00654446 25.73544455 0.00000490 0.00000088 0.00000205 Cu 11.58526863 1.82608796 27.02205934 0.00000660 -0.00000106 0.00000037 Cu 14.15849065 1.82608794 27.02205919 0.00000272 -0.00000105 -0.00000032 Cu 12.87185245 0.00654603 28.30862745 0.00000450 0.00000041 -0.00000166 Cu 0.00574367 0.00654606 28.30862710 0.00000516 0.00000038 0.00000173 Cu 14.15844022 1.82608936 29.59550175 0.00000651 -0.00000094 0.00000033 Cu 1.29233171 1.82608936 29.59550171 0.00000347 -0.00000095 -0.00000020 Cu 15.44503307 0.00654730 30.88164614 0.00000489 -0.00000005 -0.00000114 Cu 2.57892431 0.00654731 30.88164598 0.00000532 -0.00000008 0.00000127 Cu 1.29230037 1.82609034 32.16723237 0.00000601 -0.00000081 0.00000027 Cu 3.86552225 1.82609034 32.16723246 0.00000428 -0.00000079 -0.00000004 Cu 2.57890239 0.00654811 33.44343197 0.00000506 -0.00000045 -0.00000040 Cu 5.15212413 0.00654815 33.44343210 0.00000531 -0.00000047 0.00000053 Cu 3.86550985 1.82609082 34.65314671 0.00000532 -0.00000068 0.00000014 Cu 6.43873163 1.82609081 34.65314697 0.00000502 -0.00000068 -0.00000007 Cu 0.00661046 3.64562102 0.09179699 -0.00000807 0.00000032 -0.00000023 Cu 2.57983218 3.64562086 0.09179697 -0.00000800 0.00000043 0.00000013 Cu 1.29321604 5.46516366 1.30151161 -0.00000761 -0.00000033 0.00000011 Cu 3.86643781 5.46516364 1.30151149 -0.00000827 -0.00000032 0.00000002 Cu 2.57981301 3.64562116 2.57771124 -0.00000774 0.00000082 -0.00000056 Cu 5.15303477 3.64562119 2.57771107 -0.00000742 0.00000079 0.00000051 Cu 3.86640395 5.46516392 3.86329744 -0.00000647 -0.00000099 0.00000029 Cu 6.43962581 5.46516390 3.86329739 -0.00000789 -0.00000098 -0.00000018 Cu 5.15298766 3.64562138 5.14944190 -0.00000690 0.00000131 -0.00000089 Cu 7.72620937 3.64562132 5.14944169 -0.00000633 0.00000136 0.00000089 Cu 6.43956478 5.46516419 6.43631630 -0.00000497 -0.00000147 0.00000037 Cu 9.01278666 5.46516410 6.43631628 -0.00000706 -0.00000137 -0.00000032 Cu 7.72613669 3.64562157 7.72288449 -0.00000565 0.00000183 -0.00000124 Cu 10.29935839 3.64562148 7.72288426 -0.00000482 0.00000190 0.00000125 Cu 9.01270404 5.46516452 9.00949892 -0.00000298 -0.00000172 0.00000046 Cu 11.58592594 5.46516445 9.00949894 -0.00000578 -0.00000166 -0.00000037 Cu 10.29926775 3.64562193 10.29611416 -0.00000388 0.00000220 -0.00000153 Cu 12.87248944 3.64562189 10.29611398 -0.00000293 0.00000224 0.00000158 Cu 11.58582823 5.46516504 11.58272211 -0.00000069 -0.00000186 0.00000057 Cu 14.15905021 5.46516499 11.58272227 -0.00000416 -0.00000182 -0.00000048 Cu 12.87238682 3.64562255 12.86933411 -0.00000193 0.00000243 -0.00000186 Cu 0.00627802 3.64562253 12.86933394 -0.00000091 0.00000242 0.00000184 Cu 14.15894387 5.46516577 14.15594466 0.00000154 -0.00000183 0.00000050 Cu 1.29283539 5.46516577 14.15594477 -0.00000255 -0.00000180 -0.00000059 Cu 15.44550078 3.64562344 15.44255571 -0.00000019 0.00000241 -0.00000219 Cu 2.57939198 3.64562344 15.44255541 0.00000093 0.00000240 0.00000213 Cu 1.29272721 5.46516683 16.72916639 0.00000345 -0.00000172 0.00000056 Cu 3.86594926 5.46516685 16.72916644 -0.00000109 -0.00000174 -0.00000053 Cu 2.57928554 3.64562466 18.01577739 0.00000138 0.00000225 -0.00000231 Cu 5.15250722 3.64562467 18.01577711 0.00000252 0.00000222 0.00000233 Cu 3.86584526 5.46516818 19.30238807 0.00000503 -0.00000161 0.00000059 Cu 6.43906733 5.46516817 19.30238825 0.00000022 -0.00000158 -0.00000056 Cu 5.15240769 3.64562618 20.58899917 0.00000270 0.00000185 -0.00000237 Cu 7.72562939 3.64562616 20.58899897 0.00000376 0.00000186 0.00000234 Cu 6.43897267 5.46516973 21.87560974 0.00000609 -0.00000138 0.00000048 Cu 9.01219472 5.46516970 21.87560987 0.00000128 -0.00000134 -0.00000057 Cu 7.72554129 3.64562786 23.16222182 0.00000353 0.00000139 -0.00000239 Cu 10.29876298 3.64562783 23.16222146 0.00000452 0.00000140 0.00000223 Cu 9.01211315 5.46517143 24.44882976 0.00000649 -0.00000122 0.00000039 Cu 11.58533518 5.46517141 24.44882967 0.00000205 -0.00000121 -0.00000045 Cu 10.29868912 3.64562961 25.73544502 0.00000405 0.00000085 -0.00000212 Cu 12.87191081 3.64562956 25.73544454 0.00000489 0.00000089 0.00000206 Cu 11.58526867 5.46517309 27.02205931 0.00000656 -0.00000109 0.00000039 Cu 14.15849067 5.46517305 27.02205919 0.00000272 -0.00000104 -0.00000032 Cu 12.87185244 3.64563118 28.30862742 0.00000451 0.00000037 -0.00000163 Cu 0.00574368 3.64563115 28.30862706 0.00000514 0.00000040 0.00000176 Cu 14.15844026 5.46517446 29.59550176 0.00000646 -0.00000093 0.00000033 Cu 1.29233171 5.46517446 29.59550173 0.00000348 -0.00000092 -0.00000020 Cu 15.44503309 3.64563241 30.88164609 0.00000486 -0.00000004 -0.00000110 Cu 2.57892434 3.64563243 30.88164594 0.00000531 -0.00000006 0.00000129 Cu 1.29230040 5.46517543 32.16723242 0.00000599 -0.00000078 0.00000023 Cu 3.86552226 5.46517550 32.16723258 0.00000427 -0.00000085 -0.00000012 Cu 2.57890244 3.64563313 33.44343189 0.00000503 -0.00000038 -0.00000034 Cu 5.15212417 3.64563312 33.44343203 0.00000526 -0.00000038 0.00000058 Cu 3.86550990 5.46517571 34.65314675 0.00000529 -0.00000053 0.00000012 Cu 6.43873165 5.46517566 34.65314708 0.00000501 -0.00000051 -0.00000014 Cu 0.00661058 7.28470622 0.09179697 -0.00000816 0.00000025 -0.00000021 Cu 2.57983227 7.28470625 0.09179691 -0.00000806 0.00000022 0.00000019 Cu 1.29321607 9.10424883 1.30151171 -0.00000765 -0.00000037 0.00000004 Cu 3.86643781 9.10424895 1.30151160 -0.00000827 -0.00000047 -0.00000007 Cu 2.57981307 7.28470621 2.57771111 -0.00000779 0.00000086 -0.00000046 Cu 5.15303477 7.28470624 2.57771093 -0.00000744 0.00000083 0.00000061 Cu 3.86640397 9.10424893 3.86329749 -0.00000649 -0.00000092 0.00000027 Cu 6.43962580 9.10424898 3.86329745 -0.00000786 -0.00000095 -0.00000022 Cu 5.15298771 7.28470636 5.14944181 -0.00000697 0.00000141 -0.00000082 Cu 7.72620943 7.28470636 5.14944167 -0.00000636 0.00000140 0.00000091 Cu 6.43956477 9.10424922 6.43631629 -0.00000495 -0.00000142 0.00000038 Cu 9.01278665 9.10424927 6.43631628 -0.00000705 -0.00000144 -0.00000032 Cu 7.72613676 7.28470665 7.72288446 -0.00000568 0.00000185 -0.00000119 Cu 10.29935843 7.28470662 7.72288424 -0.00000486 0.00000185 0.00000128 Cu 9.01270404 9.10424963 9.00949890 -0.00000303 -0.00000174 0.00000048 Cu 11.58592595 9.10424963 9.00949895 -0.00000575 -0.00000174 -0.00000039 Cu 10.29926779 7.28470705 10.29611411 -0.00000392 0.00000218 -0.00000149 Cu 12.87248946 7.28470701 10.29611396 -0.00000296 0.00000225 0.00000159 Cu 11.58582825 9.10425013 11.58272212 -0.00000069 -0.00000185 0.00000056 Cu 14.15905022 9.10425013 11.58272228 -0.00000418 -0.00000183 -0.00000051 Cu 12.87238686 7.28470763 12.86933408 -0.00000199 0.00000243 -0.00000183 Cu 0.00627803 7.28470763 12.86933393 -0.00000091 0.00000241 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21.87560966 0.00000129 -0.00000134 -0.00000050 Cu 12.87198477 0.00654273 23.16222160 0.00000354 0.00000139 -0.00000225 Cu 0.00587597 0.00654271 23.16222123 0.00000451 0.00000145 0.00000230 Cu 14.15855664 1.82608629 24.44882947 0.00000651 -0.00000117 0.00000049 Cu 1.29244819 1.82608631 24.44882948 0.00000201 -0.00000121 -0.00000039 Cu 0.00580212 0.00654447 25.73544471 0.00000404 0.00000088 -0.00000203 Cu 2.57902384 0.00654448 25.73544443 0.00000485 0.00000088 0.00000213 Cu 1.29238168 1.82608796 27.02205907 0.00000658 -0.00000107 0.00000044 Cu 3.86560372 1.82608798 27.02205922 0.00000265 -0.00000108 -0.00000030 Cu 2.57896549 0.00654607 28.30862731 0.00000449 0.00000038 -0.00000163 Cu 5.15218721 0.00654604 28.30862727 0.00000514 0.00000039 0.00000173 Cu 3.86555331 1.82608937 29.59550176 0.00000644 -0.00000093 0.00000035 Cu 6.43877524 1.82608937 29.59550205 0.00000346 -0.00000096 -0.00000032 Cu 5.15214610 0.00654728 30.88164633 0.00000486 -0.00000005 -0.00000117 Cu 7.72536783 0.00654725 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