504 Lattice="16.62000014040105 0.0 0.0 0.0 11.752114802598955 0.0 0.0 0.0 77.5600006552049" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2860.5389691797163 stress="0.0009286628098608509 6.109990638532085e-12 -2.0054199883219945e-06 6.109990638532085e-12 7.880615473153156e-05 6.508266598835059e-08 -2.0054199883219945e-06 6.508266598835059e-08 1.7959240561592948e-07" free_energy=-2860.5389691797163 pbc="T T F" Cu 0.00649818 0.00654221 19.51183384 -0.00000736 -0.00000139 0.00000015 Cu 2.77649815 0.00654218 19.51183364 -0.00000733 -0.00000088 0.00000079 Cu 1.39149391 1.96522783 20.76875017 -0.00000619 -0.00000119 0.00000050 Cu 4.16149406 1.96522783 20.76874988 -0.00000849 -0.00000111 0.00000073 Cu 2.77648439 0.00654152 22.18241736 -0.00000720 -0.00000058 0.00000048 Cu 5.54648443 0.00654156 22.18241704 -0.00000745 -0.00000119 0.00000127 Cu 4.16147187 1.96522680 23.53199993 -0.00000710 -0.00000085 0.00000049 Cu 6.93147190 1.96522679 23.53199969 -0.00000747 -0.00000070 0.00000077 Cu 5.54645234 0.00654019 24.94004181 -0.00000706 -0.00000065 0.00000049 Cu 8.31645234 0.00654017 24.94004168 -0.00000707 -0.00000035 0.00000076 Cu 6.93143037 1.96522515 26.31463364 -0.00000659 -0.00000017 0.00000069 Cu 9.70143039 1.96522516 26.31463366 -0.00000690 -0.00000034 0.00000057 Cu 8.31640312 0.00653845 27.70545667 -0.00000629 0.00000000 0.00000067 Cu 11.08640311 0.00653844 27.70545680 -0.00000607 0.00000005 0.00000042 Cu 9.70137279 1.96522337 29.08696940 -0.00000566 0.00000047 0.00000063 Cu 12.47137280 1.96522338 29.08696957 -0.00000565 0.00000033 0.00000046 Cu 11.08633845 0.00653674 30.47390022 -0.00000483 0.00000076 0.00000060 Cu 13.85633847 0.00653675 30.47390039 -0.00000487 0.00000061 0.00000050 Cu 12.47130145 1.96522188 31.85784009 -0.00000401 0.00000069 0.00000034 Cu 15.24130147 1.96522186 31.85784023 -0.00000382 0.00000093 0.00000014 Cu 13.85626181 0.00653555 33.24344306 -0.00000300 0.00000092 0.00000007 Cu 0.00626170 0.00653554 33.24344312 -0.00000288 0.00000101 0.00000009 Cu 15.24122050 1.96522101 34.62809790 -0.00000184 0.00000131 0.00000038 Cu 1.39122038 1.96522103 34.62809791 -0.00000171 0.00000105 0.00000016 Cu 0.00617780 0.00653514 36.01330359 -0.00000064 0.00000132 0.00000006 Cu 2.77617786 0.00653513 36.01330352 -0.00000107 0.00000144 0.00000020 Cu 1.39113478 1.96522113 37.39816668 0.00000035 0.00000117 0.00000009 Cu 4.16113482 1.96522112 37.39816659 0.00000019 0.00000139 0.00000003 Cu 2.77609185 0.00653575 38.78328416 0.00000103 0.00000142 -0.00000003 Cu 5.54609187 0.00653576 38.78328405 0.00000114 0.00000125 0.00000002 Cu 4.16104961 1.96522224 40.16814723 0.00000201 0.00000131 -0.00000002 Cu 6.93104964 1.96522224 40.16814715 0.00000187 0.00000131 -0.00000012 Cu 5.54600851 0.00653737 41.55335285 0.00000268 0.00000106 -0.00000024 Cu 8.31600855 0.00653738 41.55335279 0.00000270 0.00000095 -0.00000021 Cu 6.93096913 1.96522430 42.93800762 0.00000329 0.00000087 -0.00000010 Cu 9.70096917 1.96522431 42.93800764 0.00000337 0.00000083 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33.24344311 -0.00000308 0.00000108 0.00000020 Cu 15.24122050 5.88259264 34.62809791 -0.00000192 0.00000105 0.00000014 Cu 1.39122039 5.88259263 34.62809790 -0.00000183 0.00000120 0.00000017 Cu 0.00617782 3.92390674 36.01330358 -0.00000098 0.00000143 0.00000013 Cu 2.77617783 3.92390674 36.01330351 -0.00000070 0.00000136 0.00000013 Cu 1.39113479 5.88259272 37.39816668 0.00000020 0.00000124 0.00000013 Cu 4.16113483 5.88259271 37.39816660 0.00000008 0.00000139 0.00000000 Cu 2.77609185 3.92390735 38.78328416 0.00000109 0.00000131 -0.00000011 Cu 5.54609186 3.92390736 38.78328405 0.00000123 0.00000124 -0.00000001 Cu 4.16104960 5.88259384 40.16814723 0.00000204 0.00000122 -0.00000004 Cu 6.93104964 5.88259383 40.16814715 0.00000184 0.00000139 -0.00000023 Cu 5.54600853 3.92390897 41.55335285 0.00000240 0.00000100 -0.00000025 Cu 8.31600854 3.92390897 41.55335279 0.00000281 0.00000103 -0.00000011 Cu 6.93096912 5.88259590 42.93800762 0.00000339 0.00000087 -0.00000015 Cu 9.70096917 5.88259590 42.93800763 0.00000321 0.00000085 -0.00000032 Cu 8.31593168 3.92391140 44.32361049 0.00000357 0.00000079 -0.00000041 Cu 11.08593170 3.92391142 44.32361057 0.00000403 0.00000048 -0.00000033 Cu 9.70089679 5.88259862 45.70755027 0.00000414 0.00000057 -0.00000036 Cu 12.47089681 5.88259864 45.70755043 0.00000444 0.00000027 -0.00000038 Cu 11.08586429 3.92391434 47.09448108 0.00000505 -0.00000001 -0.00000037 Cu 13.85586433 3.92391433 47.09448127 0.00000475 0.00000005 -0.00000036 Cu 12.47083536 5.88260162 48.47599387 0.00000531 -0.00000050 -0.00000052 Cu 15.24083536 5.88260161 48.47599404 0.00000543 -0.00000032 -0.00000051 Cu 13.85580900 3.92391728 49.86681703 0.00000584 -0.00000068 -0.00000082 Cu 0.00580886 3.92391728 49.86681713 0.00000588 -0.00000070 -0.00000082 Cu 15.24078742 5.88260432 51.24140905 0.00000629 -0.00000069 -0.00000089 Cu 1.39078727 5.88260433 51.24140901 0.00000653 -0.00000079 -0.00000050 Cu 0.00576772 3.92391977 52.64945108 0.00000714 -0.00000138 -0.00000064 Cu 2.77576774 3.92391976 52.64945094 0.00000672 -0.00000116 -0.00000073 Cu 1.39075501 5.88260637 53.99903381 0.00000725 -0.00000145 -0.00000147 Cu 4.16075503 5.88260637 53.99903347 0.00000726 -0.00000146 -0.00000010 Cu 2.77574512 3.92392127 55.41270099 0.00000838 -0.00000146 -0.00000076 Cu 5.54574523 3.92392128 55.41270068 0.00000677 -0.00000169 -0.00000062 Cu 4.16074087 5.88260732 56.66961724 0.00000760 -0.00000163 -0.00000111 Cu 6.93074085 5.88260732 56.66961693 0.00000770 -0.00000162 -0.00000010 Cu 0.00649818 7.84128538 19.51183385 -0.00000741 -0.00000074 -0.00000001 Cu 2.77649815 7.84128543 19.51183363 -0.00000734 -0.00000158 0.00000097 Cu 1.39149398 9.79997103 20.76875017 -0.00000752 -0.00000111 0.00000043 Cu 4.16149399 9.79997103 20.76874989 -0.00000725 -0.00000100 0.00000068 Cu 2.77648440 7.84128477 22.18241738 -0.00000733 -0.00000134 0.00000016 Cu 5.54648442 7.84128473 22.18241703 -0.00000738 -0.00000069 0.00000143 Cu 4.16147186 9.79996999 23.53199992 -0.00000685 -0.00000066 0.00000059 Cu 6.93147191 9.79996999 23.53199969 -0.00000759 -0.00000066 0.00000076 Cu 5.54645233 7.84128337 24.94004181 -0.00000706 -0.00000038 0.00000050 Cu 8.31645233 7.84128338 24.94004167 -0.00000690 -0.00000046 0.00000095 Cu 6.93143038 9.79996836 26.31463364 -0.00000682 -0.00000025 0.00000070 Cu 9.70143037 9.79996837 26.31463365 -0.00000674 -0.00000042 0.00000080 Cu 8.31640311 7.84128163 27.70545667 -0.00000622 0.00000029 0.00000063 Cu 11.08640312 7.84128164 27.70545680 -0.00000634 0.00000006 0.00000037 Cu 9.70137281 9.79996657 29.08696941 -0.00000600 0.00000036 0.00000042 Cu 12.47137278 9.79996657 29.08696959 -0.00000539 0.00000044 0.00000026 Cu 11.08633843 7.84127997 30.47390022 -0.00000465 0.00000042 0.00000064 Cu 13.85633848 7.84127997 30.47390041 -0.00000502 0.00000042 0.00000028 Cu 12.47130144 9.79996506 31.85784009 -0.00000395 0.00000095 0.00000049 Cu 15.24130146 9.79996505 31.85784021 -0.00000382 0.00000113 0.00000044 Cu 13.85626181 7.84127874 33.24344304 -0.00000296 0.00000108 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42.93800775 0.00000306 0.00000084 -0.00000022 Cu 15.24096920 1.96522430 42.93800785 0.00000346 0.00000097 -0.00000004 Cu 13.85593172 0.00653982 44.32361073 0.00000400 0.00000041 -0.00000059 Cu 0.00593160 0.00653979 44.32361079 0.00000373 0.00000087 -0.00000038 Cu 15.24089681 1.96522702 45.70755059 0.00000460 0.00000039 -0.00000067 Cu 1.39089669 1.96522703 45.70755057 0.00000435 0.00000027 -0.00000057 Cu 0.00586418 0.00654273 47.09448135 0.00000488 -0.00000007 -0.00000040 Cu 2.77586418 0.00654272 47.09448125 0.00000489 0.00000017 -0.00000039 Cu 1.39083521 1.96523001 48.47599403 0.00000558 -0.00000034 -0.00000054 Cu 4.16083526 1.96523001 48.47599384 0.00000510 -0.00000037 -0.00000048 Cu 2.77580886 0.00654566 49.86681700 0.00000597 -0.00000044 -0.00000071 Cu 5.54580888 0.00654569 49.86681676 0.00000594 -0.00000084 -0.00000052 Cu 4.16078730 1.96523274 51.24140880 0.00000628 -0.00000090 -0.00000075 Cu 6.93078731 1.96523274 51.24140857 0.00000660 -0.00000097 -0.00000035 Cu 5.54576775 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0.00000042 Cu 6.93130142 9.79996507 31.85783994 -0.00000393 0.00000088 0.00000053 Cu 9.70130142 9.79996507 31.85783996 -0.00000391 0.00000081 0.00000034 Cu 8.31626177 7.84127874 33.24344284 -0.00000284 0.00000101 0.00000030 Cu 11.08626178 7.84127873 33.24344292 -0.00000290 0.00000120 0.00000016 Cu 9.70122044 9.79996423 34.62809770 -0.00000178 0.00000110 0.00000028 Cu 12.47122046 9.79996423 34.62809783 -0.00000181 0.00000110 0.00000003 Cu 11.08617790 7.84127834 36.01330342 -0.00000094 0.00000134 0.00000014 Cu 13.85617792 7.84127834 36.01330354 -0.00000083 0.00000142 0.00000008 Cu 12.47113487 9.79996433 37.39816660 0.00000040 0.00000123 0.00000015 Cu 15.24113492 9.79996432 37.39816670 -0.00000000 0.00000129 0.00000010 Cu 13.85609195 7.84127894 38.78328418 0.00000108 0.00000154 -0.00000007 Cu 0.00609183 7.84127896 38.78328421 0.00000102 0.00000118 0.00000013 Cu 15.24104972 9.79996544 40.16814736 0.00000188 0.00000125 -0.00000032 Cu 1.39104959 9.79996544 40.16814732 0.00000194 0.00000129 0.00000019 Cu 0.00600846 7.84128058 41.55335304 0.00000294 0.00000091 -0.00000038 Cu 2.77600850 7.84128056 41.55335296 0.00000246 0.00000113 -0.00000017 Cu 1.39096907 9.79996751 42.93800787 0.00000348 0.00000087 -0.00000050 Cu 4.16096910 9.79996751 42.93800773 0.00000328 0.00000082 -0.00000017 Cu 2.77593160 7.84128301 44.32361069 0.00000389 0.00000064 -0.00000021 Cu 5.54593163 7.84128300 44.32361056 0.00000380 0.00000082 -0.00000040 Cu 4.16089669 9.79997024 45.70755041 0.00000450 0.00000025 -0.00000043 Cu 6.93089675 9.79997023 45.70755027 0.00000419 0.00000026 -0.00000037 Cu 5.54586420 7.84128592 47.09448105 0.00000496 0.00000027 -0.00000020 Cu 8.31586425 7.84128594 47.09448100 0.00000498 -0.00000004 -0.00000067 Cu 6.93083530 9.79997320 48.47599366 0.00000496 -0.00000027 -0.00000042 Cu 9.70083530 9.79997321 48.47599367 0.00000568 -0.00000030 -0.00000041 Cu 8.31580892 7.84128888 49.86681664 0.00000611 -0.00000074 -0.00000023 Cu 11.08580899 7.84128887 49.86681679 0.00000560 -0.00000061 -0.00000057 Cu 9.70078736 9.79997595 51.24140860 0.00000652 -0.00000105 -0.00000061 Cu 12.47078741 9.79997593 51.24140881 0.00000626 -0.00000079 -0.00000035 Cu 11.08576784 7.84129136 52.64945069 0.00000702 -0.00000113 -0.00000051 Cu 13.85576788 7.84129137 52.64945097 0.00000672 -0.00000126 -0.00000071 Cu 12.47075512 9.79997797 53.99903359 0.00000734 -0.00000140 -0.00000137 Cu 15.24075515 9.79997797 53.99903377 0.00000714 -0.00000140 -0.00000049 Cu 13.85574520 7.84129287 55.41270102 0.00000833 -0.00000146 -0.00000078 Cu 0.00574518 7.84129287 55.41270116 0.00000672 -0.00000155 -0.00000084 Cu 15.24074087 9.79997892 56.66961752 0.00000766 -0.00000171 -0.00000116 Cu 1.39074081 9.79997892 56.66961746 0.00000771 -0.00000162 -0.00000043