864 Lattice="15.359999905290724 0.0 0.0 15.359999905290726 18.812081108580106 0.0 0.0 0.0 70.94480064057781" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3012.9946728509963 stress="0.0009539835774531359 -8.955781153791213e-08 -2.0894067112756707e-07 -8.955781153791213e-08 0.000661971297922602 1.7857428713421375e-06 -2.0894067112756707e-07 1.7857428713421375e-06 3.2972480634319814e-07" free_energy=-3012.9946728509963 pbc="T T F" Cu 0.00127571 0.01457009 17.84667890 0.00000185 0.00000557 -0.00000199 Cu 3.84127590 2.07473221 18.53237049 -0.00000149 0.00000686 0.00000069 Cu 2.56127600 0.01457007 17.84667868 -0.00000136 0.00000589 0.00000055 Cu 6.40127580 2.07473229 18.53237051 -0.00000051 0.00000596 0.00000091 Cu 17.92127552 16.73576283 19.22128089 -0.00000041 0.00000552 0.00000100 Cu 6.40127542 0.00894181 19.98016081 -0.00000108 0.00000569 0.00000215 Cu 20.48127555 16.73576283 19.22128090 -0.00000075 0.00000557 0.00000086 Cu 8.96127530 0.00894180 19.98016129 0.00000004 0.00000562 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0.00000011 0.00000464 -0.00000037 Cu 15.36127108 8.36245260 25.12967477 -0.00000111 0.00000419 -0.00000008 Cu 19.20127004 10.45221341 25.86551525 -0.00000038 0.00000436 -0.00000025 Cu 15.36126919 6.27183601 26.61092690 -0.00000043 0.00000442 0.00000065 Cu 19.20126820 8.36232590 27.34669760 -0.00000138 0.00000395 0.00000114 Cu 17.92126913 6.27183607 26.61092700 -0.00000012 0.00000374 -0.00000040 Cu 21.76126807 8.36232599 27.34669752 -0.00000036 0.00000308 0.00000153 Cu 17.92126701 4.18160724 28.08453700 -0.00000006 0.00000330 0.00000024 Cu 6.40126597 6.27193188 28.82641318 0.00000005 0.00000358 -0.00000039 Cu 5.12126713 4.18160716 28.08453688 -0.00000067 0.00000425 0.00000145 Cu 8.96126609 6.27193195 28.82641305 -0.00000137 0.00000292 0.00000080 Cu 5.12126495 2.09156940 29.56384074 -0.00000222 0.00000340 0.00000107 Cu 8.96126361 4.18170256 30.30238230 -0.00000013 0.00000212 0.00000061 Cu 7.68126462 2.09156947 29.56384079 0.00000125 0.00000282 0.00000079 Cu 11.52126358 4.18170253 30.30238242 0.00000015 0.00000262 -0.00000062 Cu 7.68126223 0.00129274 31.04272965 0.00000080 0.00000180 0.00000089 Cu 11.52126109 2.09157514 31.78096590 0.00000030 0.00000150 0.00000173 Cu 10.24126229 0.00129281 31.04272971 0.00000018 0.00000132 0.00000039 Cu 14.08126110 2.09157509 31.78096599 0.00000018 0.00000203 0.00000075 Cu 25.60125981 16.72315822 32.51974717 -0.00000056 0.00000110 0.00000036 Cu 14.08125854 0.00134907 33.25944730 0.00000071 0.00000068 0.00000030 Cu 28.16125971 16.72315823 32.51974706 0.00000041 0.00000123 0.00000125 Cu 1.28125876 0.00134907 33.25944726 -0.00000100 0.00000047 0.00000056 Cu 12.80125730 14.63298912 33.99807473 0.00000099 0.00000088 0.00000019 Cu 16.64125614 16.72321902 34.73686278 -0.00000036 0.00000115 0.00000077 Cu 15.36125739 14.63298915 33.99807474 -0.00000031 0.00000052 -0.00000024 Cu 19.20125602 16.72321902 34.73686282 0.00000057 0.00000080 0.00000039 Cu 15.36125486 12.54279283 35.47638717 0.00000043 -0.00000036 0.00000014 Cu 19.20125368 14.63302271 36.21517517 -0.00000037 -0.00000017 0.00000168 Cu 17.92125492 12.54279280 35.47638716 -0.00000043 -0.00000027 0.00000034 Cu 21.76125374 14.63302275 36.21517533 -0.00000114 -0.00000079 0.00000031 Cu 17.92125240 10.45258166 36.95380276 0.00000025 0.00000011 -0.00000002 Cu 21.76125114 12.54285354 37.69350298 0.00000100 -0.00000005 -0.00000043 Cu 20.48125244 10.45258180 36.95380282 -0.00000023 -0.00000166 -0.00000030 Cu 24.32125128 12.54285374 37.69350295 -0.00000058 -0.00000203 0.00000018 Cu 20.48124993 8.36235567 38.43228410 0.00000146 -0.00000184 -0.00000025 Cu 8.96124900 10.45263795 39.17052047 0.00000005 -0.00000128 -0.00000054 Cu 7.68125020 8.36235565 38.43228422 -0.00000055 -0.00000169 -0.00000153 Cu 11.52124894 10.45263812 39.17052044 0.00000049 -0.00000280 -0.00000038 Cu 7.68124795 6.27222829 39.91086781 0.00000014 -0.00000319 -0.00000049 Cu 11.52124687 8.36236125 40.64940935 -0.00000024 -0.00000221 -0.00000097 Cu 10.24124791 6.27222828 39.91086772 0.00000019 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45.81616160 0.00000127 -0.00000502 -0.00000205 Cu 6.40124039 0.00206178 46.56845249 0.00000121 -0.00000462 -0.00000094 Cu 20.48124107 16.72339418 45.81616150 -0.00000080 -0.00000450 -0.00000126 Cu 8.96124052 0.00206187 46.56845245 -0.00000044 -0.00000572 -0.00000080 Cu 20.48123981 14.63225183 47.30014460 0.00000078 -0.00000502 -0.00000072 Cu 24.32123930 16.72413567 48.02616864 0.00000103 -0.00000590 -0.00000141 Cu 23.04123978 14.63225189 47.30014461 0.00000094 -0.00000556 -0.00000108 Cu 26.88123937 16.72413567 48.02616865 0.00000001 -0.00000613 -0.00000145 Cu 23.04123895 12.54316341 48.80116828 0.00000062 -0.00000688 -0.00000078 Cu 26.88123865 14.63186069 49.51862051 0.00000023 -0.00000595 -0.00000118 Cu 10.24123904 12.54316323 48.80116835 0.00000049 -0.00000490 -0.00000134 Cu 14.08123873 14.63186068 49.51862053 0.00000033 -0.00000633 -0.00000097 Cu 10.24123836 10.44498904 50.23308916 0.00000097 -0.00000615 0.00000041 Cu 14.08123826 12.53024902 50.99196938 0.00000065 -0.00000541 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25.86551510 -0.00000034 0.00000442 0.00000107 Cu 20.48127089 14.63314631 25.12967467 -0.00000010 0.00000439 0.00000088 Cu 24.32127002 16.72290714 25.86551518 -0.00000106 0.00000414 0.00000047 Cu 20.48126908 12.54252970 26.61092686 -0.00000074 0.00000462 0.00000116 Cu 24.32126790 14.63301963 27.34669756 0.00000015 0.00000385 0.00000135 Cu 23.04126898 12.54252975 26.61092680 -0.00000002 0.00000426 0.00000156 Cu 26.88126801 14.63301969 27.34669768 -0.00000144 0.00000316 -0.00000017 Cu 23.04126699 10.45230087 28.08453687 -0.00000063 0.00000429 0.00000143 Cu 11.52126580 12.54262560 28.82641307 0.00000035 0.00000355 0.00000058 Cu 10.24126704 10.45230105 28.08453697 -0.00000049 0.00000243 0.00000001 Cu 14.08126584 12.54262572 28.82641306 -0.00000038 0.00000218 0.00000061 Cu 10.24126480 8.36226313 29.56384069 -0.00000001 0.00000347 0.00000127 Cu 14.08126355 10.45239615 30.30238233 0.00000004 0.00000348 0.00000005 Cu 12.80126481 8.36226329 29.56384075 -0.00000026 0.00000168 0.00000077 Cu 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4.18151967 25.86551518 -0.00000062 0.00000476 0.00000040 Cu 10.24127114 2.09175885 25.12967468 -0.00000158 0.00000494 0.00000126 Cu 14.08127019 4.18151984 25.86551516 -0.00000098 0.00000281 0.00000053 Cu 10.24126905 0.00114227 26.61092688 0.00000023 0.00000506 0.00000131 Cu 14.08126811 2.09163213 27.34669767 -0.00000036 0.00000469 0.00000019 Cu 12.80126918 0.00114241 26.61092686 -0.00000138 0.00000342 0.00000111 Cu 16.64126803 2.09163222 27.34669774 0.00000019 0.00000370 -0.00000093 Cu 28.16126675 16.72299457 28.08453691 0.00000048 0.00000422 0.00000129 Cu 1.28126604 0.00123821 28.82641300 -0.00000155 0.00000318 0.00000134 Cu 15.36126699 16.72299463 28.08453692 -0.00000130 0.00000350 0.00000078 Cu 3.84126583 0.00123816 28.82641306 0.00000043 0.00000365 0.00000064 Cu 15.36126471 14.63295683 29.56384072 -0.00000104 0.00000330 0.00000104 Cu 19.20126347 16.72308994 30.30238214 -0.00000059 0.00000221 0.00000208 Cu 17.92126458 14.63295688 29.56384070 0.00000037 0.00000263 0.00000137 Cu 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