864 Lattice="15.439340304477982 0.0 0.0 15.439340304477982 18.90925285557886 0.0 0.0 0.0 71.3112582472048" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2796.8875710769594 stress="0.002386654932056547 -6.935928411884406e-08 -1.5436565328185025e-07 -6.935928411884406e-08 0.0022586745426752173 2.589451990059657e-06 -1.5436565328185025e-07 2.589451990059657e-06 3.801227951965773e-07" free_energy=-2796.8875710769594 pbc="T T F" Cu 0.00127008 0.04308197 17.95772994 -0.00000052 0.00000858 0.00000122 Cu 3.86110505 2.11823578 18.63690559 -0.00000053 0.00000857 0.00000127 Cu 2.57449347 0.04308194 17.95772996 -0.00000054 0.00000859 0.00000122 Cu 6.43432843 2.11823583 18.63690555 -0.00000053 0.00000853 0.00000131 Cu 18.01383345 16.82579370 19.31734246 -0.00000048 0.00000848 0.00000118 Cu 6.43432815 0.00714883 20.09321835 -0.00000051 0.00000844 0.00000126 Cu 20.58705682 16.82579373 19.31734243 -0.00000052 0.00000847 0.00000119 Cu 9.00755153 0.00714888 20.09321831 -0.00000051 0.00000837 0.00000131 Cu 20.58705655 14.71335178 20.79905077 -0.00000044 0.00000822 0.00000114 Cu 24.44689135 16.80581742 21.53273869 -0.00000049 0.00000818 0.00000122 Cu 23.16027994 14.71335184 20.79905073 -0.00000054 0.00000821 0.00000115 Cu 27.02011473 16.80581743 21.53273869 -0.00000048 0.00000808 0.00000128 Cu 23.16027929 12.60381481 22.29829788 -0.00000040 0.00000783 0.00000107 Cu 27.02011400 14.70863843 23.02762610 -0.00000045 0.00000777 0.00000117 Cu 10.29416238 12.60381484 22.29829786 -0.00000054 0.00000783 0.00000107 Cu 14.15399708 14.70863839 23.02762613 -0.00000046 0.00000765 0.00000124 Cu 10.29416155 10.50499735 23.77078312 -0.00000036 0.00000729 0.00000099 Cu 14.15399610 12.60708664 24.52098593 -0.00000042 0.00000723 0.00000106 Cu 12.86738494 10.50499732 23.77078314 -0.00000052 0.00000731 0.00000098 Cu 16.72721949 12.60708661 24.52098595 -0.00000041 0.00000708 0.00000118 Cu 12.86738388 8.40571307 25.25793835 -0.00000029 0.00000664 0.00000089 Cu 16.72721836 10.50594504 26.00205286 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30.45965562 -0.00000020 0.00000358 0.00000079 Cu 7.72093128 0.00127865 31.20248593 -0.00000002 0.00000295 0.00000033 Cu 11.58076550 2.10231107 31.94507829 -0.00000015 0.00000277 0.00000046 Cu 10.29415468 0.00127867 31.20248592 -0.00000033 0.00000297 0.00000031 Cu 14.15398889 2.10231106 31.94507830 -0.00000013 0.00000252 0.00000064 Cu 25.73349325 16.80950863 32.68810916 0.00000005 0.00000185 0.00000015 Cu 14.15398714 0.00133816 33.43087736 -0.00000010 0.00000169 0.00000029 Cu 28.30671665 16.80950860 32.68810917 -0.00000028 0.00000187 0.00000013 Cu 1.28787022 0.00133816 33.43087736 -0.00000007 0.00000141 0.00000048 Cu 12.86737455 14.70854717 34.17366846 0.00000012 0.00000072 -0.00000003 Cu 16.72720874 16.80959045 34.91656257 -0.00000004 0.00000056 0.00000012 Cu 15.44059796 14.70854714 34.17366849 -0.00000023 0.00000075 -0.00000006 Cu 19.30043212 16.80959048 34.91656256 -0.00000000 0.00000027 0.00000031 Cu 15.44059613 12.60757744 35.65932794 0.00000019 -0.00000041 -0.00000021 Cu 19.30043032 14.70862076 36.40222203 0.00000003 -0.00000060 -0.00000006 Cu 18.01381953 12.60757743 35.65932795 -0.00000015 -0.00000038 -0.00000023 Cu 21.87365371 14.70862080 36.40222200 0.00000007 -0.00000089 0.00000014 Cu 18.01381771 10.50657689 37.14501314 0.00000026 -0.00000156 -0.00000038 Cu 21.87365192 12.60765935 37.88778129 0.00000010 -0.00000173 -0.00000023 Cu 20.58704112 10.50657690 37.14501312 -0.00000009 -0.00000153 -0.00000040 Cu 24.44687530 12.60765938 37.88778127 0.00000013 -0.00000201 -0.00000004 Cu 20.58703934 8.40560403 38.63081216 0.00000032 -0.00000266 -0.00000053 Cu 9.00753327 10.50663646 39.37340451 0.00000016 -0.00000284 -0.00000040 Cu 7.72092244 8.40560404 38.63081215 -0.00000002 -0.00000264 -0.00000055 Cu 11.58075665 10.50663647 39.37340450 0.00000020 -0.00000311 -0.00000021 Cu 7.72092073 6.30467740 40.11623480 0.00000038 -0.00000374 -0.00000068 Cu 11.58075501 8.40564551 40.85953424 0.00000023 -0.00000387 -0.00000056 Cu 10.29414413 6.30467739 40.11623480 0.00000005 -0.00000370 -0.00000070 Cu 14.15397839 8.40564552 40.85953424 0.00000026 -0.00000413 -0.00000038 Cu 10.29414253 4.20360223 41.60157595 0.00000043 -0.00000473 -0.00000081 Cu 14.15397686 6.30482587 42.34478381 0.00000028 -0.00000485 -0.00000070 Cu 12.86736593 4.20360221 41.60157597 0.00000011 -0.00000469 -0.00000084 Cu 16.72720024 6.30482589 42.34478380 0.00000031 -0.00000511 -0.00000053 Cu 12.86736445 2.10251222 43.08853443 0.00000046 -0.00000564 -0.00000094 Cu 16.72719886 4.20364103 43.82908436 0.00000033 -0.00000575 -0.00000084 Cu 15.44058785 2.10251221 43.08853444 0.00000018 -0.00000561 -0.00000095 Cu 3.86108193 4.20364107 43.82908434 0.00000036 -0.00000598 -0.00000067 Cu 0.00124621 0.00196997 44.57383768 0.00000051 -0.00000645 -0.00000104 Cu 3.86108069 2.10220204 45.31795211 0.00000039 -0.00000656 -0.00000095 Cu 2.57446961 0.00196999 44.57383767 0.00000024 -0.00000644 -0.00000106 Cu 6.43430408 2.10220206 45.31795210 0.00000040 -0.00000676 -0.00000082 Cu 18.01380877 16.81008129 46.05490459 0.00000053 -0.00000716 -0.00000114 Cu 6.43430303 0.00291780 46.80510733 0.00000042 -0.00000725 -0.00000104 Cu 20.58703217 16.81008130 46.05490458 0.00000030 -0.00000714 -0.00000114 Cu 9.00752641 0.00291780 46.80510733 0.00000046 -0.00000740 -0.00000093 Cu 20.58703119 14.70852957 47.54826437 0.00000054 -0.00000774 -0.00000120 Cu 24.44686590 16.81335315 48.27759261 0.00000046 -0.00000777 -0.00000112 Cu 23.16025459 14.70852956 47.54826437 0.00000036 -0.00000773 -0.00000123 Cu 27.02008928 16.81335314 48.27759261 0.00000047 -0.00000790 -0.00000103 Cu 23.16025385 12.61135058 49.04315176 0.00000055 -0.00000816 -0.00000124 Cu 27.02008866 14.70381610 49.77683976 0.00000047 -0.00000816 -0.00000119 Cu 10.29413694 12.61135056 49.04315177 0.00000041 -0.00000813 -0.00000125 Cu 14.15397173 14.70381610 49.77683976 0.00000050 -0.00000826 -0.00000112 Cu 10.29413645 10.50076624 50.48267211 0.00000055 -0.00000840 -0.00000128 Cu 14.15397146 12.59137415 51.25854809 0.00000050 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20.09321833 -0.00000050 0.00000837 0.00000131 Cu 10.29416306 2.10718331 20.79905059 -0.00000046 0.00000819 0.00000120 Cu 14.15399785 4.19964880 21.53273864 -0.00000050 0.00000820 0.00000123 Cu 12.86738645 2.10718328 20.79905061 -0.00000055 0.00000820 0.00000118 Cu 16.72722123 4.19964876 21.53273866 -0.00000049 0.00000811 0.00000129 Cu 12.86738577 -0.00235375 22.29829779 -0.00000040 0.00000783 0.00000109 Cu 16.72722049 2.10246977 23.02762605 -0.00000047 0.00000780 0.00000118 Cu 0.00126886 -0.00235380 22.29829783 -0.00000055 0.00000785 0.00000109 Cu 3.86110357 2.10246978 23.02762604 -0.00000045 0.00000767 0.00000128 Cu 15.44060831 16.80808156 23.77078314 -0.00000034 0.00000733 0.00000099 Cu 3.86110257 0.00091804 24.52098585 -0.00000042 0.00000724 0.00000109 Cu 18.01383171 16.80808153 23.77078316 -0.00000053 0.00000734 0.00000098 Cu 6.43432596 0.00091810 24.52098581 -0.00000041 0.00000707 0.00000121 Cu 18.01383063 14.70879728 25.25793843 -0.00000029 0.00000666 0.00000087 Cu 21.87366512 16.80902937 26.00205277 -0.00000039 0.00000653 0.00000099 Cu 20.58705403 14.70879730 25.25793841 -0.00000050 0.00000667 0.00000087 Cu 24.44688850 16.80902943 26.00205274 -0.00000036 0.00000634 0.00000112 Cu 20.58705278 12.60735828 26.74680620 -0.00000023 0.00000587 0.00000074 Cu 24.44688719 14.70848717 27.48735603 -0.00000033 0.00000572 0.00000088 Cu 23.16027618 12.60735833 26.74680617 -0.00000047 0.00000587 0.00000073 Cu 27.02011057 14.70848719 27.48735603 -0.00000032 0.00000551 0.00000102 Cu 23.16027478 10.50617348 28.23110673 -0.00000017 0.00000496 0.00000061 Cu 11.58076880 12.60739716 28.97431455 -0.00000028 0.00000482 0.00000073 Cu 10.29415787 10.50617350 28.23110672 -0.00000043 0.00000498 0.00000060 Cu 14.15399218 12.60739714 28.97431456 -0.00000026 0.00000460 0.00000089 Cu 10.29415631 8.40535387 29.71635627 -0.00000009 0.00000400 0.00000047 Cu 14.15399059 10.50632197 30.45965574 -0.00000021 0.00000384 0.00000058 Cu 12.86737972 8.40535385 29.71635629 -0.00000039 0.00000401 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19.30044503 12.61331735 20.09321847 -0.00000050 0.00000839 0.00000127 Cu 15.44060978 8.41026751 20.79905072 -0.00000043 0.00000822 0.00000116 Cu 19.30044458 10.50273303 21.53273879 -0.00000048 0.00000822 0.00000119 Cu 18.01383318 8.41026748 20.79905074 -0.00000055 0.00000823 0.00000115 Cu 21.87366796 10.50273309 21.53273874 -0.00000048 0.00000810 0.00000127 Cu 18.01383255 6.30073045 22.29829783 -0.00000041 0.00000785 0.00000109 Cu 21.87366724 8.40555409 23.02762608 -0.00000047 0.00000779 0.00000118 Cu 5.14771564 6.30073048 22.29829781 -0.00000054 0.00000785 0.00000109 Cu 9.00755032 8.40555415 23.02762604 -0.00000044 0.00000766 0.00000128 Cu 5.14771481 4.20191299 23.77078306 -0.00000036 0.00000732 0.00000102 Cu 9.00754936 6.30400241 24.52098579 -0.00000043 0.00000721 0.00000112 Cu 7.72093820 4.20191304 23.77078302 -0.00000052 0.00000732 0.00000101 Cu 11.58077274 6.30400242 24.52098579 -0.00000041 0.00000705 0.00000122 Cu 7.72093711 2.10262879 25.25793827 -0.00000030 0.00000663 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