612 Lattice="15.439330505335704 0.0 0.0 7.719665252667851 13.370852435044755 0.0 0.0 0.0 71.43490989337855" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1986.007461792279 stress="0.0028240866101952086 -3.8962093488249903e-07 -6.171962781298834e-07 -3.8962093488249903e-07 0.0028269221699019492 -2.2406185777932486e-06 -6.171962781298834e-07 -2.2406185777932486e-06 -3.1739014751364475e-08" pbc="T T F" Cu 0.00397423 0.00403502 17.91957070 -0.00000192 -0.00000705 0.00000035 Cu 3.86380688 2.23251043 17.91957076 -0.00000231 -0.00000725 -0.00000041 Cu 2.57719599 0.00403500 17.91957074 -0.00000214 -0.00000674 -0.00000019 Cu 1.29058509 2.23251044 17.91957074 -0.00000175 -0.00000738 -0.00000017 Cu 10.29685889 11.88922907 19.96406849 -0.00000155 -0.00000677 0.00000105 Cu 6.43702636 0.74685208 19.96406862 -0.00000288 -0.00000743 -0.00000087 Cu 12.87008070 11.88922900 19.96406858 -0.00000240 -0.00000577 -0.00000027 Cu 3.86380449 0.74685211 19.96406858 -0.00000107 -0.00000792 -0.00000032 Cu 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0.00000745 0.00000003 Cu 6.43687271 5.20324431 51.42233239 0.00000227 0.00000683 0.00000002 Cu 12.87008298 4.46098584 17.91957070 -0.00000192 -0.00000706 0.00000035 Cu 16.72991562 6.68946125 17.91957075 -0.00000229 -0.00000725 -0.00000042 Cu 15.44330474 4.46098581 17.91957074 -0.00000214 -0.00000674 -0.00000019 Cu 14.15669384 6.68946127 17.91957073 -0.00000176 -0.00000740 -0.00000017 Cu 15.44330240 2.97532746 19.96406849 -0.00000155 -0.00000679 0.00000106 Cu 3.86380460 5.20380289 19.96406861 -0.00000287 -0.00000743 -0.00000085 Cu 2.57719370 2.97532738 19.96406858 -0.00000240 -0.00000574 -0.00000031 Cu 16.72991324 5.20380293 19.96406858 -0.00000108 -0.00000793 -0.00000030 Cu 2.57718872 1.48965984 22.06454599 -0.00000132 -0.00000632 0.00000185 Cu 6.43702148 3.71813532 22.06454620 -0.00000327 -0.00000753 -0.00000143 Cu 5.15041054 1.48965973 22.06454613 -0.00000239 -0.00000469 -0.00000035 Cu 3.86379954 3.71813536 22.06454614 -0.00000043 -0.00000814 -0.00000043 Cu 12.87006806 13.37483485 24.16582206 -0.00000080 -0.00000545 0.00000245 Cu 9.01023560 2.23245795 24.16582234 -0.00000332 -0.00000731 -0.00000187 Cu 15.44328992 13.37483473 24.16582224 -0.00000251 -0.00000355 -0.00000033 Cu 6.43701363 2.23245801 24.16582226 0.00000004 -0.00000828 -0.00000062 Cu 15.44328000 11.88914938 26.26684576 -0.00000043 -0.00000448 0.00000291 Cu 11.58344757 0.74677251 26.26684610 -0.00000347 -0.00000690 -0.00000228 Cu 18.01650187 11.88914923 26.26684597 -0.00000234 -0.00000216 -0.00000023 Cu 9.01022555 0.74677258 26.26684600 0.00000066 -0.00000797 -0.00000066 Cu 18.01649012 10.40345695 28.36787139 0.00000006 -0.00000327 0.00000335 Cu 21.87632297 12.63193254 28.36787177 -0.00000334 -0.00000607 -0.00000254 Cu 20.58971202 10.40345678 28.36787163 -0.00000221 -0.00000072 -0.00000034 Cu 19.30310093 12.63193262 28.36787166 0.00000111 -0.00000732 -0.00000079 Cu 5.15036830 8.91775889 30.46889804 0.00000046 -0.00000211 0.00000371 Cu 9.01020118 11.14623447 30.46889846 -0.00000336 -0.00000487 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0.00000311 -0.00000175 -0.00000066 Cu 15.44319810 2.97494653 38.87300456 0.00000217 0.00000400 0.00000402 Cu 3.86370049 5.20342210 38.87300499 -0.00000177 0.00000148 -0.00000251 Cu 2.57708953 2.97494634 38.87300485 -0.00000065 0.00000695 -0.00000032 Cu 16.72980891 5.20342221 38.87300488 0.00000326 -0.00000018 -0.00000081 Cu 2.57707633 1.48924845 40.97403128 0.00000190 0.00000537 0.00000348 Cu 6.43690917 3.71772405 40.97403168 -0.00000129 0.00000235 -0.00000256 Cu 5.15029819 1.48924826 40.97403153 0.00000027 0.00000822 -0.00000032 Cu 3.86368710 3.71772411 40.97403155 0.00000354 0.00000140 -0.00000057 Cu 12.86995169 13.37440848 43.07505694 0.00000269 0.00000618 0.00000330 Cu 9.01011926 2.23203158 43.07505729 -0.00000045 0.00000421 -0.00000203 Cu 15.44317361 13.37440834 43.07505717 0.00000011 0.00000834 -0.00000010 Cu 6.43689727 2.23203168 43.07505720 0.00000329 0.00000271 -0.00000063 Cu 15.44316368 11.88872302 45.17608074 0.00000225 0.00000689 0.00000245 Cu 11.58333121 0.74634614 45.17608102 -0.00000018 0.00000468 -0.00000180 Cu 18.01638550 11.88872289 45.17608091 0.00000111 0.00000896 -0.00000019 Cu 9.01010922 0.74634618 45.17608091 0.00000347 0.00000401 -0.00000026 Cu 18.01637777 10.40304566 47.27735687 0.00000271 0.00000701 0.00000212 Cu 21.87621054 12.63152111 47.27735708 0.00000060 0.00000610 -0.00000113 Cu 20.58959963 10.40304556 47.27735702 0.00000103 0.00000842 -0.00000012 Cu 19.30298862 12.63152118 47.27735703 0.00000309 0.00000514 -0.00000034 Cu 5.15026414 8.91737806 49.37783449 0.00000222 0.00000717 0.00000116 Cu 9.01009685 11.14585352 49.37783461 0.00000098 0.00000634 -0.00000072 Cu 7.72348593 8.91737798 49.37783457 0.00000171 0.00000832 -0.00000007 Cu 6.43687497 11.14585353 49.37783456 0.00000297 0.00000607 -0.00000005 Cu 7.72348360 7.43171969 51.42233235 0.00000217 0.00000716 0.00000058 Cu 11.58331624 9.66019511 51.42233240 0.00000178 0.00000700 -0.00000019 Cu 10.29670537 7.43171967 51.42233239 0.00000187 0.00000745 0.00000004 Cu 9.01009446 9.66019512 51.42233239 0.00000227 0.00000683 0.00000001 Cu 15.44330473 8.91793665 17.91957071 -0.00000191 -0.00000705 0.00000034 Cu 19.30313738 11.14641206 17.91957075 -0.00000229 -0.00000726 -0.00000042 Cu 18.01652649 8.91793662 17.91957074 -0.00000214 -0.00000674 -0.00000018 Cu 16.72991560 11.14641207 17.91957074 -0.00000177 -0.00000739 -0.00000017 Cu 18.01652414 7.43227826 19.96406849 -0.00000153 -0.00000679 0.00000103 Cu 6.43702634 9.66075371 19.96406861 -0.00000282 -0.00000746 -0.00000086 Cu 5.15041544 7.43227819 19.96406857 -0.00000238 -0.00000575 -0.00000027 Cu 19.30313499 9.66075375 19.96406858 -0.00000112 -0.00000793 -0.00000031 Cu 5.15041047 5.94661065 22.06454599 -0.00000131 -0.00000632 0.00000182 Cu 9.01024321 8.17508613 22.06454620 -0.00000318 -0.00000757 -0.00000144 Cu 7.72363228 5.94661054 22.06454612 -0.00000237 -0.00000468 -0.00000029 Cu 6.43702128 8.17508618 22.06454613 -0.00000049 -0.00000815 -0.00000046 Cu 7.72362457 4.46093323 24.16582206 -0.00000083 -0.00000543 0.00000245 Cu 11.58345735 6.68940876 24.16582234 -0.00000325 -0.00000732 -0.00000190 Cu 10.29684643 4.46093310 24.16582224 -0.00000251 -0.00000352 -0.00000030 Cu 9.01023539 6.68940882 24.16582226 -0.00000004 -0.00000830 -0.00000065 Cu 10.29683650 2.97524775 26.26684576 -0.00000047 -0.00000445 0.00000296 Cu 14.15666932 5.20372332 26.26684611 -0.00000344 -0.00000688 -0.00000231 Cu 12.87005837 2.97524760 26.26684597 -0.00000234 -0.00000210 -0.00000024 Cu 11.58344730 5.20372339 26.26684600 0.00000062 -0.00000801 -0.00000068 Cu 12.87004662 1.48955532 28.36787138 0.00000002 -0.00000324 0.00000345 Cu 16.72987946 3.71803091 28.36787177 -0.00000338 -0.00000602 -0.00000255 Cu 15.44326851 1.48955516 28.36787163 -0.00000221 -0.00000065 -0.00000041 Cu 14.15665742 3.71803100 28.36787166 0.00000114 -0.00000735 -0.00000079 Cu 7.72359006 13.37470970 30.46889804 0.00000043 -0.00000209 0.00000384 Cu 3.86375769 2.23233284 30.46889846 -0.00000348 -0.00000480 -0.00000268 Cu 10.29681197 13.37470949 30.46889831 -0.00000199 0.00000100 -0.00000039 Cu 1.29053558 2.23233293 30.46889834 0.00000196 -0.00000623 -0.00000080 Cu 10.29679776 11.88900763 32.56992467 0.00000083 -0.00000059 0.00000399 Cu 6.43696540 0.74663078 32.56992512 -0.00000318 -0.00000338 -0.00000291 Cu 12.87001968 11.88900742 32.56992496 -0.00000167 0.00000257 -0.00000049 Cu 3.86374328 0.74663088 32.56992498 0.00000244 -0.00000485 -0.00000077 Cu 12.87000494 10.40330351 34.67095129 0.00000150 0.00000093 0.00000409 Cu 16.72983785 12.63177909 34.67095174 -0.00000285 -0.00000163 -0.00000280 Cu 15.44322689 10.40330331 34.67095158 -0.00000149 0.00000412 -0.00000036 Cu 14.15661573 12.63177920 34.67095161 0.00000287 -0.00000339 -0.00000073 Cu 15.44321216 8.91759939 36.77197794 0.00000155 0.00000262 0.00000387 Cu 19.30304505 11.14607500 36.77197838 -0.00000242 -0.00000042 -0.00000285 Cu 18.01643406 8.91759919 36.77197822 -0.00000071 0.00000579 -0.00000046 Cu 16.72982293 11.14607508 36.77197823 0.00000318 -0.00000170 -0.00000065 Cu 18.01641986 7.43189734 38.87300457 0.00000219 0.00000397 0.00000392 Cu 6.43692224 9.66037291 38.87300499 -0.00000172 0.00000144 -0.00000248 Cu 5.15031129 7.43189715 38.87300484 -0.00000064 0.00000687 -0.00000024 Cu 19.30303066 9.66037301 38.87300488 0.00000323 -0.00000011 -0.00000081 Cu 5.15029809 5.94619925 40.97403129 0.00000190 0.00000539 0.00000336 Cu 9.01013092 8.17467487 40.97403168 -0.00000120 0.00000230 -0.00000255 Cu 7.72351994 5.94619908 40.97403153 0.00000028 0.00000814 -0.00000020 Cu 6.43690886 8.17467492 40.97403155 0.00000344 0.00000145 -0.00000060 Cu 7.72350818 4.46050685 43.07505695 0.00000269 0.00000622 0.00000320 Cu 11.58334100 6.68898239 43.07505730 -0.00000035 0.00000418 -0.00000205 Cu 10.29673010 4.46050672 43.07505716 0.00000012 0.00000830 -0.00000001 Cu 9.01011903 6.68898249 43.07505721 0.00000318 0.00000273 -0.00000067 Cu 10.29672018 2.97482139 45.17608074 0.00000224 0.00000693 0.00000241 Cu 14.15655295 5.20329695 45.17608101 -0.00000011 0.00000467 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0.00000682 0.00000002