864 Lattice="15.41674493644938 0.0 0.0 15.416744936449382 18.881579294468626 0.0 0.0 0.0 71.20689471269479" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3489.0727032058417 stress="0.0024060358705837925 -8.197686173097803e-08 -1.8945493890143836e-07 -8.197686173097803e-08 0.0016575035444250927 2.647936528723806e-06 -1.8945493890143836e-07 2.647936528723806e-06 3.669876362041679e-07" free_energy=-3489.0727032058417 pbc="T T F" Cu 0.00127240 0.06193146 17.92182195 -0.00000054 0.00000895 0.00000127 Cu 3.85545850 2.12210328 18.58185865 -0.00000056 0.00000894 0.00000130 Cu 2.57072993 0.06193142 17.92182197 -0.00000060 0.00000896 0.00000119 Cu 6.42491603 2.12210340 18.58185864 -0.00000061 0.00000886 0.00000120 Cu 17.98747459 16.79354670 19.22482933 -0.00000055 0.00000870 0.00000111 Cu 6.42491579 -0.01504011 20.05967355 -0.00000072 0.00000854 0.00000120 Cu 20.55693207 16.79354676 19.22482927 -0.00000056 0.00000877 0.00000121 Cu 8.99437326 -0.01504002 20.05967353 -0.00000045 0.00000859 0.00000132 Cu 20.55693175 14.69699629 20.77669269 -0.00000070 0.00000873 0.00000136 Cu 24.41111754 16.78085551 21.49289988 -0.00000033 0.00000806 0.00000113 Cu 23.12638922 14.69699642 20.77669264 -0.00000047 0.00000846 0.00000112 Cu 26.98057506 16.78085552 21.49289990 -0.00000077 0.00000804 0.00000111 Cu 23.12638858 12.58899473 22.27000403 -0.00000022 0.00000750 0.00000067 Cu 26.98057434 14.68814846 22.99882853 -0.00000092 0.00000818 0.00000104 Cu 25.69584611 12.58899478 22.27000399 -0.00000093 0.00000771 0.00000115 Cu 14.13328683 14.68814839 22.99882861 -0.00000016 0.00000804 0.00000080 Cu 10.27910018 10.49043156 23.73047806 -0.00000107 0.00000807 0.00000153 Cu 14.13328580 12.58826965 24.48713897 0.00000000 0.00000629 0.00000099 Cu 12.84855760 10.49043156 23.73047816 0.00000001 0.00000771 0.00000103 Cu 16.70274339 12.58826953 24.48713897 -0.00000105 0.00000667 0.00000153 Cu 12.84855633 8.39368628 25.22282135 0.00000031 0.00000603 0.00000027 Cu 16.70274203 10.49063857 25.96119466 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14.68708340 36.34894474 -0.00000047 0.00000007 -0.00000010 Cu 17.98745850 12.58912896 35.60732077 -0.00000088 -0.00000073 -0.00000015 Cu 21.84164355 14.68708347 36.34894475 0.00000051 -0.00000035 -0.00000069 Cu 17.98745635 10.49121221 37.09044894 -0.00000105 -0.00000044 0.00000055 Cu 21.84164141 12.58921466 37.83261307 0.00000061 -0.00000330 -0.00000041 Cu 20.55691368 10.49121227 37.09044896 0.00000117 -0.00000089 -0.00000004 Cu 24.41109897 12.58921463 37.83261298 -0.00000040 -0.00000260 0.00000060 Cu 20.55691153 8.39325865 38.57422641 0.00000134 -0.00000344 -0.00000110 Cu 8.99435192 10.49129686 39.31542124 -0.00000026 -0.00000164 -0.00000025 Cu 7.70962426 8.39325867 38.57422634 -0.00000103 -0.00000309 -0.00000060 Cu 11.56380934 10.49129689 39.31542134 0.00000066 -0.00000248 -0.00000150 Cu 7.70962219 6.29545421 40.05812089 -0.00000082 -0.00000297 0.00000012 Cu 11.56380733 8.39324894 40.79951793 0.00000066 -0.00000553 -0.00000078 Cu 10.27907952 6.29545421 40.05812091 0.00000132 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45.98547518 0.00000069 -0.00000741 -0.00000102 Cu 6.42488603 0.00210943 46.74213589 0.00000048 -0.00000757 -0.00000090 Cu 20.55690281 16.78585064 45.98547515 0.00000034 -0.00000733 -0.00000086 Cu 8.99434350 0.00210944 46.74213582 0.00000060 -0.00000751 -0.00000079 Cu 20.55690163 14.68597177 47.47378557 0.00000023 -0.00000741 -0.00000096 Cu 24.41108732 16.78512559 48.20260999 0.00000070 -0.00000817 -0.00000128 Cu 23.12635906 14.68597183 47.47378552 0.00000093 -0.00000755 -0.00000112 Cu 26.98054483 16.78512553 48.20260995 0.00000050 -0.00000802 -0.00000107 Cu 23.12635818 12.59326484 48.97971415 0.00000096 -0.00000857 -0.00000121 Cu 26.98054405 14.67712381 49.69592133 0.00000053 -0.00000816 -0.00000099 Cu 10.27907078 12.59326482 48.97971409 0.00000026 -0.00000843 -0.00000107 Cu 14.13325657 14.67712375 49.69592139 0.00000072 -0.00000833 -0.00000125 Cu 10.27906996 10.50758104 50.41294047 0.00000026 -0.00000840 -0.00000105 Cu 14.13325605 12.58057335 51.24778485 0.00000069 -0.00000896 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25.96119452 -0.00000004 0.00000618 0.00000095 Cu 20.55692890 14.68754585 25.22282136 -0.00000024 0.00000698 0.00000081 Cu 24.41111444 16.78449858 25.96119450 -0.00000089 0.00000611 0.00000094 Cu 20.55692748 12.58866680 26.70887516 0.00000014 0.00000527 0.00000011 Cu 24.41111299 14.68714835 27.44783095 -0.00000100 0.00000625 0.00000069 Cu 23.12638504 12.58866684 26.70887506 -0.00000103 0.00000570 0.00000082 Cu 26.98057039 14.68714839 27.44783098 0.00000016 0.00000598 0.00000033 Cu 23.12638341 10.49080798 28.18848228 -0.00000124 0.00000598 0.00000150 Cu 11.56382376 12.58886050 28.93260002 0.00000030 0.00000349 0.00000067 Cu 10.27909583 10.49080807 28.18848231 0.00000049 0.00000547 0.00000083 Cu 14.13328135 12.58886042 28.93260000 -0.00000102 0.00000401 0.00000143 Cu 10.27909401 8.39315194 29.67309622 0.00000077 0.00000324 -0.00000024 Cu 14.13327947 10.49094634 30.41449318 -0.00000092 0.00000504 0.00000053 Cu 12.84855167 8.39315189 29.67309621 -0.00000139 0.00000364 0.00000035 Cu 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11.56382685 4.19677912 25.96119445 -0.00000033 0.00000546 0.00000079 Cu 10.27909876 2.09982648 25.22282116 0.00000007 0.00000695 0.00000123 Cu 14.13328437 4.19677901 25.96119444 -0.00000054 0.00000608 0.00000160 Cu 10.27909743 0.00094735 26.70887494 -0.00000010 0.00000607 0.00000093 Cu 14.13328289 2.09942880 27.44783087 -0.00000030 0.00000616 0.00000091 Cu 12.84855498 0.00094735 26.70887498 -0.00000076 0.00000585 0.00000059 Cu 16.70274039 2.09942876 27.44783094 -0.00000050 0.00000570 0.00000019 Cu 28.26529833 16.78466788 28.18848232 -0.00000040 0.00000467 0.00000033 Cu 1.28599383 0.00114080 28.93259998 -0.00000067 0.00000443 0.00000050 Cu 15.41801088 16.78466778 28.18848231 -0.00000038 0.00000508 0.00000088 Cu 3.85545126 0.00114077 28.93259994 -0.00000003 0.00000475 0.00000094 Cu 15.41800916 14.68701151 29.67309619 -0.00000070 0.00000481 0.00000119 Cu 19.27219437 16.78480617 30.41449312 0.00000020 0.00000333 0.00000063 Cu 17.98746660 14.68701151 29.67309626 0.00000004 0.00000434 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