864 Lattice="15.336971990477892 0.0 0.0 15.336971990477892 18.783877788014248 0.0 0.0 0.0 70.83843925804926" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2997.2050935729385 stress="0.002971046301011487 -2.4230987870976955e-07 -5.324273257260498e-07 -2.4230987870976955e-07 0.0026408713687964282 2.824574490703093e-06 -5.324273257260498e-07 2.824574490703093e-06 3.7634695749794704e-07" pbc="T T F" Cu 0.00130846 -0.00690348 17.82607406 -0.00000185 0.00000931 0.00000146 Cu 3.83555126 2.09756517 18.45894295 -0.00000180 0.00000925 0.00000131 Cu 2.55747047 -0.00690354 17.82607411 -0.00000189 0.00000929 0.00000144 Cu 6.39171325 2.09756530 18.45894285 -0.00000188 0.00000916 0.00000147 Cu 17.89444164 16.70875110 19.16204727 -0.00000171 0.00000939 0.00000099 Cu 6.39171196 0.01641389 19.98123271 -0.00000166 0.00000921 0.00000095 Cu 20.45060362 16.70875118 19.16204717 -0.00000184 0.00000929 0.00000120 Cu 8.94787397 0.01641401 19.98123262 -0.00000182 0.00000876 0.00000110 Cu 20.45060219 14.61645946 20.65861369 -0.00000110 0.00000914 0.00000121 Cu 24.28484429 16.69738495 21.38245882 -0.00000139 0.00000893 0.00000102 Cu 23.00676424 14.61645960 20.65861363 -0.00000220 0.00000884 0.00000073 Cu 26.84100632 16.69738495 21.38245884 -0.00000193 0.00000879 0.00000092 Cu 23.00676163 12.52268088 22.16218394 -0.00000151 0.00000821 0.00000136 Cu 26.84100340 14.61262929 22.87155116 -0.00000187 0.00000806 0.00000117 Cu 10.22595164 12.52268090 22.16218389 -0.00000140 0.00000848 0.00000161 Cu 14.06019336 14.61262918 22.87155121 -0.00000116 0.00000838 0.00000145 Cu 10.22594862 10.43529154 23.60776974 -0.00000130 0.00000802 0.00000110 Cu 14.06018957 12.52363394 24.36466077 -0.00000165 0.00000758 0.00000109 Cu 12.78211063 10.43529147 23.60776979 -0.00000164 0.00000802 0.00000098 Cu 16.61635155 12.52363383 24.36466085 -0.00000115 0.00000757 0.00000087 Cu 12.78210666 8.35014788 25.08842893 -0.00000091 0.00000703 0.00000065 Cu 16.61634742 10.43606409 25.82665890 -0.00000151 0.00000687 0.00000057 Cu 15.33826872 8.35014773 25.08842902 -0.00000166 0.00000749 0.00000063 Cu 19.17250937 10.43606415 25.82665887 -0.00000096 0.00000656 0.00000084 Cu 15.33826405 6.26236636 26.57301164 -0.00000137 0.00000629 0.00000107 Cu 19.17250447 8.34979688 27.30389165 -0.00000093 0.00000643 0.00000085 Cu 17.89442603 6.26236636 26.57301166 -0.00000133 0.00000591 0.00000094 Cu 21.72866651 8.34979701 27.30389156 -0.00000136 0.00000583 0.00000162 Cu 17.89442083 4.17505422 28.04246998 -0.00000054 0.00000566 0.00000094 Cu 6.39168897 6.26244495 28.78410690 -0.00000081 0.00000543 0.00000028 Cu 5.11361094 4.17505431 28.04246990 -0.00000164 0.00000526 0.00000066 Cu 8.94785098 6.26244507 28.78410681 -0.00000107 0.00000460 0.00000082 Cu 5.11360504 2.08838872 29.51860515 -0.00000098 0.00000422 -0.00000016 Cu 8.94784511 4.17525632 30.25701170 -0.00000066 0.00000430 0.00000009 Cu 7.66976702 2.08838880 29.51860501 -0.00000039 0.00000461 -0.00000014 Cu 11.50400702 4.17525635 30.25701179 -0.00000031 0.00000390 0.00000045 Cu 7.66976067 0.00123453 30.99659170 -0.00000082 0.00000249 0.00000077 Cu 11.50400062 2.08839529 31.73289800 -0.00000073 0.00000273 0.00000080 Cu 10.22592259 0.00123438 30.99659160 -0.00000022 0.00000389 0.00000057 Cu 14.06016258 2.08839518 31.73289817 -0.00000032 0.00000219 0.00000136 Cu 25.56288900 16.69798956 32.47101565 -0.00000109 0.00000214 0.00000058 Cu 14.06015534 0.00132779 33.20974864 0.00000000 0.00000206 -0.00000027 Cu 28.11905115 16.69798938 32.47101562 -0.00000180 0.00000142 0.00000112 Cu 1.27934538 0.00132808 33.20974875 -0.00000016 0.00000038 -0.00000014 Cu 12.78207179 14.61103408 33.94698599 0.00000016 0.00000226 -0.00000071 Cu 16.61631334 16.69811535 34.68474585 -0.00000159 0.00000020 -0.00000007 Cu 15.33823397 14.61103451 33.94698590 -0.00000083 -0.00000005 -0.00000043 Cu 19.17247521 16.69811530 34.68474589 -0.00000098 0.00000117 -0.00000005 Cu 15.33822455 12.52402470 35.42325087 -0.00000010 -0.00000122 0.00000006 Cu 19.17246521 14.61110557 36.16101083 0.00000129 -0.00000100 0.00000068 Cu 17.89438617 12.52402454 35.42325095 0.00000258 -0.00000016 0.00000025 Cu 21.72862731 14.61110571 36.16101082 0.00000117 -0.00000025 0.00000035 Cu 17.89438227 10.43693401 36.89824797 -0.00000086 -0.00000121 0.00000024 Cu 21.72862043 12.52415064 37.63698103 0.00000185 -0.00000222 -0.00000084 Cu 20.45054421 10.43693417 36.89824790 0.00000087 -0.00000168 0.00000057 Cu 24.28478264 12.52415068 37.63698082 0.00000033 -0.00000121 -0.00000070 Cu 20.45053688 8.34986701 38.37509847 0.00000021 -0.00000252 -0.00000117 Cu 8.94780497 10.43702801 39.11140485 0.00000105 -0.00000385 -0.00000026 Cu 7.66972693 8.34986708 38.37509841 -0.00000008 -0.00000294 -0.00000081 Cu 11.50396700 10.43702785 39.11140499 -0.00000000 -0.00000281 -0.00000125 Cu 7.66972050 6.26300603 39.85098468 0.00000070 -0.00000431 -0.00000019 Cu 11.50396055 8.34987354 40.58939150 0.00000083 -0.00000475 -0.00000008 Cu 10.22588247 6.26300606 39.85098472 0.00000045 -0.00000451 0.00000017 Cu 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10.42184832 50.12676395 0.00000149 -0.00000870 -0.00000094 Cu 16.61625799 12.51338877 50.94594964 0.00000174 -0.00000922 -0.00000118 Cu 12.78201447 8.34069691 51.64905367 0.00000187 -0.00000923 -0.00000123 Cu 16.61625735 10.44516556 52.28192265 0.00000179 -0.00000924 -0.00000131 Cu 15.33817648 8.34069692 51.64905370 0.00000176 -0.00000930 -0.00000136 Cu 19.17241935 10.44516560 52.28192264 0.00000171 -0.00000930 -0.00000128 Cu 5.11363210 6.25438933 17.82607391 -0.00000170 0.00000933 0.00000133 Cu 8.94787491 8.35885814 18.45894287 -0.00000161 0.00000912 0.00000134 Cu 7.66979410 6.25438949 17.82607381 -0.00000179 0.00000917 0.00000150 Cu 11.50403694 8.35885814 18.45894290 -0.00000183 0.00000902 0.00000143 Cu 7.66979366 4.18616616 19.16204672 -0.00000171 0.00000921 0.00000118 Cu 11.50403572 6.27770660 19.98123252 -0.00000159 0.00000926 0.00000102 Cu 10.22595569 4.18616623 19.16204668 -0.00000175 0.00000896 0.00000135 Cu 14.06019774 6.27770649 19.98123262 -0.00000178 0.00000909 0.00000084 Cu 10.22595438 2.09387446 20.65861327 -0.00000137 0.00000914 0.00000112 Cu 14.06019638 4.17479968 21.38245864 -0.00000135 0.00000861 0.00000130 Cu 12.78211641 2.09387441 20.65861333 -0.00000187 0.00000887 0.00000118 Cu 16.61635842 4.17479958 21.38245874 -0.00000202 0.00000881 0.00000114 Cu 12.78211385 0.00009570 22.16218378 -0.00000188 0.00000843 0.00000133 Cu 16.61635554 2.09004396 22.87155102 -0.00000135 0.00000798 0.00000138 Cu 0.00130383 0.00009558 22.16218387 -0.00000141 0.00000838 0.00000143 Cu 3.83554558 2.09004396 22.87155101 -0.00000175 0.00000820 0.00000135 Cu 15.33827276 16.69658399 23.60776984 -0.00000184 0.00000777 0.00000097 Cu 19.17251374 18.78492647 24.36466063 -0.00000172 0.00000758 0.00000103 Cu 17.89443474 16.69658393 23.60776987 -0.00000133 0.00000813 0.00000100 Cu 6.39170371 0.00104878 24.36466057 -0.00000116 0.00000775 0.00000080 Cu 17.89443065 14.61144033 25.08842916 -0.00000124 0.00000696 0.00000095 Cu 21.72867147 16.69735686 25.82665874 -0.00000143 0.00000667 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