864 Lattice="15.33600000407221 0.0 0.0 15.33600000407221 18.782687352648825 0.0 0.0 0.0 70.83394984514554" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3017.281286876596 stress="0.0009902475483855035 -5.2345066667948534e-08 -1.8519844456629003e-07 -5.2345066667948534e-08 0.0009175698219444269 2.272585808899076e-06 -1.8519844456629003e-07 2.272585808899076e-06 2.119735368222582e-07" free_energy=-3017.281286876596 pbc="T T F" Cu 0.00127459 0.11678816 17.86393616 -0.00000063 0.00000712 0.00000036 Cu 3.83527450 2.14084272 18.48166755 -0.00000055 0.00000759 0.00000079 Cu 2.55727459 0.11678816 17.86393620 -0.00000060 0.00000712 -0.00000004 Cu 6.39127451 2.14084272 18.48166755 -0.00000064 0.00000755 0.00000078 Cu 17.89327433 16.72999671 19.18623451 -0.00000060 0.00000664 0.00000058 Cu 6.39127423 0.00879329 19.96198615 -0.00000110 0.00000721 0.00000146 Cu 20.44927433 16.72999668 19.18623451 -0.00000059 0.00000698 0.00000063 Cu 8.94727415 0.00879329 19.96198616 -0.00000008 0.00000720 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30.25572668 -0.00000024 0.00000339 0.00000031 Cu 7.66926280 0.00131703 30.99385102 -0.00000022 0.00000292 0.00000028 Cu 11.50326166 2.08828509 31.73121910 -0.00000017 0.00000243 0.00000021 Cu 10.22526280 0.00131703 30.99385103 -0.00000022 0.00000291 0.00000023 Cu 14.05926166 2.08828509 31.73121910 -0.00000019 0.00000243 0.00000023 Cu 25.56126050 16.69700855 32.46929144 -0.00000012 0.00000188 0.00000016 Cu 29.39525931 18.78404449 33.20723128 -0.00000013 0.00000139 0.00000012 Cu 28.11726050 16.69700855 32.46929144 -0.00000016 0.00000192 0.00000018 Cu 16.61525931 18.78404449 33.20723128 -0.00000007 0.00000137 0.00000012 Cu 12.78125811 14.61011920 33.94494078 -0.00000007 0.00000084 0.00000011 Cu 16.61525690 16.69708227 34.68282775 0.00000000 0.00000027 0.00000001 Cu 15.33725811 14.61011920 33.94494079 -0.00000005 0.00000082 0.00000007 Cu 19.17125691 16.69708228 34.68282775 -0.00000005 0.00000027 0.00000004 Cu 15.33725569 12.52320599 35.42072627 0.00000004 -0.00000030 -0.00000004 Cu 19.17125449 14.61016906 36.15861323 0.00000003 -0.00000080 -0.00000007 Cu 17.89325570 12.52320599 35.42072626 -0.00000000 -0.00000028 -0.00000002 Cu 21.72725449 14.61016906 36.15861323 0.00000009 -0.00000082 -0.00000009 Cu 17.89325329 10.43624377 36.89632275 0.00000009 -0.00000136 -0.00000010 Cu 21.72725210 12.52327972 37.63426258 0.00000016 -0.00000192 -0.00000017 Cu 20.44925329 10.43624377 36.89632275 0.00000011 -0.00000138 -0.00000012 Cu 24.28325211 12.52327972 37.63426258 0.00000012 -0.00000191 -0.00000015 Cu 20.44925093 8.34931582 38.37233494 0.00000019 -0.00000243 -0.00000023 Cu 8.94724979 10.43628388 39.10970300 0.00000021 -0.00000290 -0.00000026 Cu 7.66925093 8.34931582 38.37233494 0.00000017 -0.00000243 -0.00000022 Cu 11.50324979 10.43628388 39.10970300 0.00000023 -0.00000292 -0.00000028 Cu 7.66924867 6.26248897 39.84782737 0.00000025 -0.00000340 -0.00000031 Cu 11.50324759 8.34932852 40.58624820 0.00000030 -0.00000386 -0.00000035 Cu 10.22524867 6.26248897 39.84782737 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16.69698583 45.74476482 0.00000051 -0.00000619 -0.00000055 Cu 6.39124065 0.00312250 46.49050721 0.00000053 -0.00000642 -0.00000062 Cu 20.44924131 16.69698583 45.74476482 0.00000049 -0.00000620 -0.00000057 Cu 8.94724065 0.00312250 46.49050721 0.00000050 -0.00000642 -0.00000060 Cu 20.44924006 14.60866578 47.23477559 0.00000050 -0.00000659 -0.00000060 Cu 24.28323953 16.69675992 47.94810983 0.00000052 -0.00000677 -0.00000076 Cu 23.00524005 14.60866578 47.23477558 0.00000057 -0.00000658 -0.00000058 Cu 26.83923952 16.69675992 47.94810983 0.00000059 -0.00000676 -0.00000073 Cu 23.00523907 12.52564835 48.70984173 0.00000061 -0.00000683 -0.00000063 Cu 26.83923864 14.60789863 49.46428767 0.00000061 -0.00000703 -0.00000064 Cu 25.56123907 12.52564835 48.70984173 0.00000053 -0.00000685 -0.00000064 Cu 14.05923864 14.60789864 49.46428768 0.00000056 -0.00000704 -0.00000070 Cu 10.22523840 10.42880762 50.14156778 0.00000025 -0.00000706 -0.00000051 Cu 14.05923825 12.49029161 50.91731949 0.00000059 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16.69632922 25.82811465 -0.00000044 0.00000574 0.00000054 Cu 20.44927054 14.61046002 25.08723781 -0.00000049 0.00000592 0.00000044 Cu 24.28326975 16.69632922 25.82811465 -0.00000046 0.00000573 0.00000055 Cu 20.44926891 12.52314226 26.56861320 -0.00000043 0.00000531 0.00000041 Cu 24.28326800 14.61013797 27.30289215 -0.00000044 0.00000507 0.00000050 Cu 23.00526891 12.52314226 26.56861320 -0.00000042 0.00000537 0.00000042 Cu 26.83926800 14.61013797 27.30289215 -0.00000034 0.00000507 0.00000050 Cu 23.00526705 10.43582315 28.04207889 -0.00000036 0.00000465 0.00000047 Cu 11.50326605 12.52309766 28.78079209 -0.00000031 0.00000428 0.00000047 Cu 10.22526705 10.43582315 28.04207890 -0.00000037 0.00000465 0.00000043 Cu 14.05926605 12.52309766 28.78079209 -0.00000035 0.00000427 0.00000047 Cu 10.22526500 8.34916819 29.51730578 -0.00000029 0.00000382 0.00000034 Cu 14.05926392 10.43600773 30.25572661 -0.00000029 0.00000343 0.00000032 Cu 12.78126500 8.34916819 29.51730578 -0.00000030 0.00000385 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17.89324283 6.26306326 44.27543936 0.00000048 -0.00000570 -0.00000052 Cu 21.72724205 8.34893246 45.01631616 0.00000047 -0.00000593 -0.00000051 Cu 17.89324130 4.17519426 45.74476480 0.00000056 -0.00000617 -0.00000060 Cu 6.39124065 6.26401829 46.49050713 0.00000052 -0.00000641 -0.00000057 Cu 5.11324130 4.17519426 45.74476480 0.00000044 -0.00000617 -0.00000058 Cu 8.94724065 6.26401830 46.49050713 0.00000052 -0.00000648 -0.00000062 Cu 5.11324005 2.08687421 47.23477562 0.00000052 -0.00000660 -0.00000058 Cu 8.94723951 4.17496835 47.94810980 0.00000058 -0.00000675 -0.00000084 Cu 7.66924005 2.08687421 47.23477562 0.00000057 -0.00000661 -0.00000061 Cu 11.50323952 4.17496835 47.94810978 0.00000053 -0.00000674 -0.00000067 Cu 23.00523907 18.78654413 48.70984181 0.00000060 -0.00000684 -0.00000066 Cu 11.50323864 2.08610706 49.46428770 0.00000056 -0.00000699 -0.00000066 Cu 25.56123908 18.78654413 48.70984181 0.00000054 -0.00000682 -0.00000064 Cu 14.05923863 2.08610707 49.46428771 0.00000061 -0.00000712 -0.00000071 Cu 25.56123839 16.68970339 50.14156788 0.00000063 -0.00000705 -0.00000052 Cu 29.39523826 18.75118739 50.91731958 0.00000060 -0.00000720 -0.00000069 Cu 28.11723839 16.68970340 50.14156788 0.00000055 -0.00000707 -0.00000057 Cu 16.61523825 18.75118739 50.91731958 0.00000059 -0.00000721 -0.00000067 Cu 12.78123808 14.55765393 51.62188654 0.00000055 -0.00000716 -0.00000066 Cu 16.61523799 16.58170854 52.23961797 0.00000060 -0.00000725 -0.00000081 Cu 15.33723807 14.55765392 51.62188654 0.00000065 -0.00000715 -0.00000065 Cu 19.17123799 16.58170854 52.23961797 0.00000061 -0.00000723 -0.00000077 Cu 20.44927459 12.63857972 17.86393610 -0.00000060 0.00000713 0.00000025 Cu 24.28327451 14.66263430 18.48166746 -0.00000067 0.00000752 0.00000080 Cu 23.00527459 12.63857972 17.86393610 -0.00000060 0.00000716 0.00000028 Cu 26.83927450 14.66263430 18.48166746 -0.00000053 0.00000755 0.00000081 Cu 23.00527433 10.46910089 19.18623447 -0.00000059 0.00000686 0.00000063 Cu 11.50327419 12.53058486 19.96198607 -0.00000059 0.00000720 0.00000154 Cu 10.22527433 10.46910089 19.18623447 -0.00000060 0.00000685 0.00000061 Cu 14.05927420 12.53058486 19.96198607 -0.00000060 0.00000720 0.00000156 Cu 10.22527395 8.35149387 20.63926637 -0.00000060 0.00000672 0.00000046 Cu 14.05927352 10.43374411 21.39371223 -0.00000063 0.00000714 0.00000067 Cu 12.78127395 8.35149386 20.63926637 -0.00000056 0.00000688 0.00000049 Cu 16.61527351 10.43374411 21.39371223 -0.00000051 0.00000715 0.00000069 Cu 12.78127306 6.26263257 22.15544431 -0.00000054 0.00000663 0.00000029 Cu 16.61527254 8.35072669 22.86877843 -0.00000054 0.00000670 0.00000074 Cu 15.33727307 6.26263257 22.15544432 -0.00000056 0.00000669 0.00000008 Cu 19.17127254 8.35072669 22.86877843 -0.00000055 0.00000670 0.00000071 Cu 15.33727193 4.17358263 23.61304692 -0.00000052 0.00000625 0.00000059 Cu 19.17127129 6.26240665 24.35878924 -0.00000057 0.00000624 0.00000084 Cu 17.89327193 4.17358262 23.61304692 -0.00000052 0.00000631 0.00000053 Cu 6.39127127 6.26240665 24.35878924 -0.00000043 0.00000624 0.00000084 Cu 2.55727053 2.08866845 25.08723788 -0.00000047 0.00000585 0.00000045 Cu 6.39126975 4.17453765 25.82811469 -0.00000049 0.00000574 0.00000052 Cu 5.11327053 2.08866844 25.08723788 -0.00000048 0.00000597 0.00000046 Cu 8.94726974 4.17453765 25.82811469 -0.00000041 0.00000573 0.00000053 Cu 5.11326890 0.00135069 26.56861327 -0.00000042 0.00000534 0.00000044 Cu 8.94726799 2.08834640 27.30289222 -0.00000039 0.00000507 0.00000049 Cu 7.66926891 0.00135068 26.56861328 -0.00000043 0.00000535 0.00000034 Cu 11.50326799 2.08834640 27.30289222 -0.00000040 0.00000506 0.00000049 Cu 23.00526704 16.69671893 28.04207894 -0.00000036 0.00000462 0.00000042 Cu 11.50326605 0.00130608 28.78079216 -0.00000038 0.00000429 0.00000043 Cu 25.56126705 16.69671892 28.04207894 -0.00000037 0.00000468 0.00000043 Cu 14.05926604 0.00130608 28.78079216 -0.00000028 0.00000428 0.00000044 Cu 25.56126500 14.61006397 29.51730577 -0.00000030 0.00000385 0.00000038 Cu 14.05926392 16.69690350 30.25572666 -0.00000024 0.00000340 0.00000031 Cu 12.78126500 14.61006397 29.51730578 -0.00000029 0.00000385 0.00000033 Cu 16.61526392 16.69690351 30.25572666 -0.00000028 0.00000340 0.00000033 Cu 12.78126281 12.52310860 30.99385096 -0.00000021 0.00000289 0.00000025 Cu 16.61526167 14.61007666 31.73121905 -0.00000022 0.00000244 0.00000023 Cu 15.33726281 12.52310860 30.99385096 -0.00000024 0.00000293 0.00000027 Cu 19.17126166 14.61007666 31.73121905 -0.00000014 0.00000242 0.00000023 Cu 15.33726050 10.43611277 32.46929139 -0.00000015 0.00000192 0.00000022 Cu 19.17125931 12.52314872 33.20723121 -0.00000008 0.00000136 0.00000014 Cu 17.89326050 10.43611277 32.46929139 -0.00000014 0.00000190 0.00000018 Cu 21.72725932 12.52314872 33.20723121 -0.00000013 0.00000136 0.00000016 Cu 17.89325811 8.34922342 33.94494077 -0.00000005 0.00000081 0.00000007 Cu 21.72725691 10.43618649 34.68282770 -0.00000004 0.00000030 0.00000003 Cu 20.44925811 8.34922342 33.94494077 -0.00000007 0.00000082 0.00000008 Cu 8.94725690 10.43618650 34.68282770 0.00000000 0.00000028 0.00000002 Cu 5.11325569 6.26231020 35.42072629 0.00000002 -0.00000027 -0.00000002 Cu 8.94725448 8.34927328 36.15861321 0.00000007 -0.00000084 -0.00000006 Cu 7.66925569 6.26231020 35.42072629 0.00000002 -0.00000027 -0.00000002 Cu 11.50325449 8.34927328 36.15861321 0.00000005 -0.00000084 -0.00000005 Cu 7.66925328 4.17534798 36.89632281 0.00000010 -0.00000137 -0.00000013 Cu 11.50325210 6.26238393 37.63426260 0.00000014 -0.00000189 -0.00000018 Cu 10.22525328 4.17534798 36.89632281 0.00000010 -0.00000138 -0.00000014 Cu 14.05925210 6.26238393 37.63426260 0.00000014 -0.00000190 -0.00000018 Cu 10.22525093 2.08842003 38.37233500 0.00000019 -0.00000243 -0.00000024 Cu 14.05924978 4.17538809 39.10970305 0.00000022 -0.00000291 -0.00000028 Cu 12.78125093 2.08842003 38.37233500 0.00000017 -0.00000243 -0.00000023 Cu 16.61524978 4.17538809 39.10970305 0.00000022 -0.00000292 -0.00000027 Cu 12.78124867 0.00159318 39.84782742 0.00000025 -0.00000339 -0.00000033 Cu 16.61524759 2.08843272 40.58624827 0.00000030 -0.00000386 -0.00000037 Cu 15.33724867 0.00159318 39.84782742 0.00000027 -0.00000340 -0.00000034 Cu 3.83524759 2.08843272 40.58624827 0.00000029 -0.00000385 -0.00000037 Cu 15.33724654 16.69719061 41.32276192 0.00000034 -0.00000429 -0.00000041 Cu 3.83524554 0.00177776 42.06147514 0.00000036 -0.00000466 -0.00000044 Cu 17.89324655 16.69719061 41.32276192 0.00000031 -0.00000429 -0.00000041 Cu 6.39124554 0.00177776 42.06147514 0.00000036 -0.00000466 -0.00000045 Cu 17.89324460 14.61015030 42.80066186 0.00000037 -0.00000504 -0.00000046 Cu 21.72724368 16.69714601 43.53494083 0.00000042 -0.00000539 -0.00000053 Cu 20.44924459 14.61015030 42.80066186 0.00000041 -0.00000504 -0.00000046 Cu 24.28324368 16.69714601 43.53494083 0.00000043 -0.00000538 -0.00000052 Cu 20.44924284 12.52395904 44.27543935 0.00000046 -0.00000567 -0.00000054 Cu 24.28324205 14.60982825 45.01631621 0.00000049 -0.00000595 -0.00000054 Cu 23.00524284 12.52395905 44.27543935 0.00000043 -0.00000568 -0.00000054 Cu 26.83924205 14.60982825 45.01631621 0.00000046 -0.00000595 -0.00000058 Cu 23.00524131 10.43609005 45.74476474 0.00000041 -0.00000619 -0.00000053 Cu 11.50324065 12.52491409 46.49050713 0.00000051 -0.00000647 -0.00000059 Cu 10.22524129 10.43609005 45.74476474 0.00000059 -0.00000619 -0.00000052 Cu 14.05924065 12.52491408 46.49050713 0.00000053 -0.00000638 -0.00000058 Cu 10.22524004 8.34777000 47.23477553 0.00000059 -0.00000657 -0.00000058 Cu 14.05923951 10.43586414 47.94810973 0.00000058 -0.00000676 -0.00000055 Cu 12.78124005 8.34777000 47.23477553 0.00000049 -0.00000659 -0.00000057 Cu 16.61523952 10.43586414 47.94810974 0.00000054 -0.00000676 -0.00000080 Cu 12.78123907 6.26475257 48.70984172 0.00000049 -0.00000684 -0.00000063 Cu 16.61523863 8.34700286 49.46428761 0.00000059 -0.00000711 -0.00000069 Cu 15.33723906 6.26475257 48.70984172 0.00000066 -0.00000689 -0.00000062 Cu 19.17123863 8.34700285 49.46428760 0.00000057 -0.00000691 -0.00000057 Cu 15.33723836 4.16791184 50.14156783 0.00000084 -0.00000705 -0.00000060 Cu 19.17123825 6.22939583 50.91731948 0.00000059 -0.00000711 -0.00000063 Cu 17.89323840 4.16791184 50.14156784 0.00000033 -0.00000704 -0.00000066 Cu 6.39123824 6.22939584 50.91731948 0.00000060 -0.00000729 -0.00000069 Cu 2.55723808 2.03586240 51.62188656 0.00000056 -0.00000721 -0.00000065 Cu 6.39123799 4.05991702 52.23961792 0.00000064 -0.00000725 -0.00000083 Cu 5.11323807 2.03586239 51.62188656 0.00000064 -0.00000721 -0.00000067 Cu 8.94723799 4.05991702 52.23961791 0.00000061 -0.00000726 -0.00000071