864 Lattice="15.356421416581195 0.0 0.0 15.356421416581195 18.80769837288578 0.0 0.0 0.0 70.92827230921989" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2934.513663896854 stress="0.004201339447458927 -3.0352087163995006e-08 -7.181753589142021e-08 -3.0352087163995006e-08 0.002949460660779667 2.9802406866004166e-06 -7.181753589142021e-08 2.9802406866004166e-06 4.081381420231854e-07" free_energy=-2934.513663896854 pbc="T T F" Cu 15.35768420 0.02550706 17.85105359 -0.00000025 0.00000986 0.00000136 Cu 3.84036811 2.11096673 18.51813760 -0.00000023 0.00000982 0.00000137 Cu 2.56066635 0.02550705 17.85105359 -0.00000024 0.00000986 0.00000135 Cu 6.39977168 2.11096674 18.51813759 -0.00000025 0.00000982 0.00000140 Cu 17.91708770 16.74652409 19.13196550 -0.00000023 0.00000977 0.00000127 Cu 6.39977150 0.02780309 20.06110574 -0.00000027 0.00000961 0.00000133 Cu 20.47649127 16.74652410 19.13196549 -0.00000025 0.00000978 0.00000130 Cu 8.95917507 0.02780310 20.06110574 -0.00000020 0.00000956 0.00000133 Cu 20.47649103 14.65651342 20.73086248 -0.00000020 0.00000944 0.00000133 Cu 24.31559628 16.73661409 21.40037324 -0.00000017 0.00000929 0.00000125 Cu 23.03589460 14.65651344 20.73086248 -0.00000025 0.00000938 0.00000127 Cu 26.87499986 16.73661409 21.40037324 -0.00000028 0.00000926 0.00000126 Cu 23.03589428 12.55501481 22.24100912 -0.00000024 0.00000894 0.00000116 Cu 26.87499947 14.64942644 22.93659569 -0.00000028 0.00000867 0.00000117 Cu 25.59529784 12.55501482 22.24100912 -0.00000018 0.00000898 0.00000125 Cu 14.07798161 14.64942643 22.93659569 -0.00000014 0.00000869 0.00000120 Cu 10.23887607 10.46398211 23.64237582 -0.00000013 0.00000836 0.00000113 Cu 14.07798115 12.55339002 24.43362447 -0.00000009 0.00000806 0.00000122 Cu 12.79827964 10.46398211 23.64237583 -0.00000027 0.00000829 0.00000108 Cu 16.63738473 12.55339001 24.43362448 -0.00000029 0.00000800 0.00000117 Cu 12.79827912 8.37555781 25.14633932 -0.00000023 0.00000759 0.00000095 Cu 16.63738422 10.46177907 25.86874219 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30.30283043 -0.00000010 0.00000407 0.00000062 Cu 7.67946927 0.00677841 31.04827335 -0.00000004 0.00000340 0.00000048 Cu 11.51857422 2.09582289 31.78077823 -0.00000008 0.00000293 0.00000040 Cu 10.23887284 0.00677841 31.04827336 -0.00000012 0.00000340 0.00000041 Cu 14.07797779 2.09582288 31.78077824 -0.00000006 0.00000289 0.00000039 Cu 25.59529345 16.72267761 32.51591863 -0.00000003 0.00000220 0.00000026 Cu 14.07797697 0.00387365 33.25815358 -0.00000007 0.00000162 0.00000028 Cu 28.15469702 16.72267760 32.51591863 -0.00000008 0.00000225 0.00000031 Cu 1.28095912 0.00387364 33.25815359 -0.00000001 0.00000159 0.00000030 Cu 12.79827477 14.63115106 33.99255842 -0.00000005 0.00000094 0.00000008 Cu 16.63737971 16.71977270 34.72779722 0.00000001 0.00000037 0.00000004 Cu 15.35767834 14.63115105 33.99255843 -0.00000000 0.00000089 0.00000005 Cu 19.19678328 16.71977270 34.72779722 -0.00000003 0.00000036 0.00000011 Cu 15.35767749 12.53942158 35.46909676 0.00000008 -0.00000035 -0.00000014 Cu 19.19678243 14.62804323 36.20433556 0.00000002 -0.00000089 -0.00000006 Cu 17.91708106 12.53942158 35.46909676 -0.00000007 -0.00000034 -0.00000008 Cu 21.75618600 14.62804325 36.20433555 0.00000002 -0.00000097 -0.00000009 Cu 17.91708023 10.44762227 36.93874039 -0.00000002 -0.00000163 -0.00000026 Cu 21.75618516 12.53651670 37.68097533 0.00000007 -0.00000221 -0.00000031 Cu 20.47648379 10.44762228 36.93874039 0.00000010 -0.00000168 -0.00000027 Cu 24.31558873 12.53651670 37.68097533 0.00000004 -0.00000217 -0.00000024 Cu 20.47648297 8.35567303 38.41611574 0.00000012 -0.00000281 -0.00000043 Cu 8.95916651 10.44471753 39.14862060 0.00000014 -0.00000346 -0.00000039 Cu 7.67946512 8.35567304 38.41611573 0.00000002 -0.00000286 -0.00000037 Cu 11.51857008 10.44471753 39.14862060 0.00000004 -0.00000351 -0.00000045 Cu 7.67946433 6.26441655 39.89406353 0.00000008 -0.00000413 -0.00000061 Cu 11.51856931 8.35243554 40.62787633 0.00000012 -0.00000456 -0.00000064 Cu 10.23886790 6.26441655 39.89406353 0.00000011 -0.00000418 -0.00000059 Cu 14.07797288 8.35243553 40.62787634 0.00000010 -0.00000455 -0.00000059 Cu 10.23886717 4.17262716 41.35689534 0.00000012 -0.00000511 -0.00000074 Cu 14.07797215 6.26162684 42.10918924 0.00000016 -0.00000582 -0.00000077 Cu 12.79827074 4.17262715 41.35689534 0.00000012 -0.00000510 -0.00000072 Cu 16.63737572 6.26162684 42.10918924 0.00000011 -0.00000582 -0.00000078 Cu 12.79827005 2.07974594 42.83949255 0.00000016 -0.00000632 -0.00000084 Cu 16.63737509 4.16989809 43.56243792 0.00000021 -0.00000661 -0.00000091 Cu 15.35767362 2.07974594 42.83949255 0.00000014 -0.00000639 -0.00000090 Cu 3.84035725 4.16989810 43.56243792 0.00000011 -0.00000660 -0.00000094 Cu 15.35767298 18.79741520 44.32815181 0.00000018 -0.00000719 -0.00000106 Cu 3.84035667 2.07593812 45.05055466 0.00000010 -0.00000768 -0.00000100 Cu 17.91707655 18.79741520 44.32815180 0.00000017 -0.00000711 -0.00000094 Cu 6.39976023 2.07593813 45.05055465 0.00000026 -0.00000769 -0.00000099 Cu 17.91707604 16.70580426 45.76326951 0.00000017 -0.00000798 -0.00000108 Cu 21.75618112 18.79521219 46.55451815 0.00000029 -0.00000832 -0.00000114 Cu 20.47647961 16.70580427 45.76326951 0.00000022 -0.00000806 -0.00000125 Cu 24.31558470 18.79521219 46.55451815 0.00000011 -0.00000830 -0.00000112 Cu 20.47647914 14.60976787 47.26029829 0.00000024 -0.00000876 -0.00000125 Cu 24.31558433 16.70417949 47.95588485 0.00000010 -0.00000895 -0.00000117 Cu 23.03588271 14.60976787 47.26029828 0.00000018 -0.00000866 -0.00000113 Cu 26.87498789 16.70417949 47.95588486 0.00000034 -0.00000896 -0.00000123 Cu 23.03588233 12.52258021 48.79652072 0.00000020 -0.00000920 -0.00000121 Cu 26.87498757 14.60268087 49.46603150 0.00000030 -0.00000945 -0.00000131 Cu 10.23886448 12.52258022 48.79652072 0.00000025 -0.00000927 -0.00000127 Cu 14.07796973 14.60268087 49.46603150 0.00000016 -0.00000942 -0.00000128 Cu 10.23886429 10.42369284 50.13578822 0.00000024 -0.00000962 -0.00000136 Cu 14.07796950 12.51267019 51.06492848 0.00000021 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20.06110574 -0.00000023 0.00000960 0.00000140 Cu 10.23887676 2.11804786 20.73086245 -0.00000017 0.00000942 0.00000126 Cu 14.07798201 4.19814850 21.40037323 -0.00000024 0.00000932 0.00000127 Cu 12.79828033 2.11804785 20.73086245 -0.00000029 0.00000944 0.00000130 Cu 16.63738558 4.19814849 21.40037324 -0.00000021 0.00000924 0.00000123 Cu 12.79828001 0.01654923 22.24100910 -0.00000021 0.00000894 0.00000129 Cu 16.63738519 2.11096084 22.93659568 -0.00000017 0.00000872 0.00000119 Cu 15.35768358 0.01654922 22.24100912 -0.00000022 0.00000890 0.00000122 Cu 3.84036735 2.11096084 22.93659567 -0.00000025 0.00000871 0.00000127 Cu 15.35768322 16.73321488 23.64237584 -0.00000020 0.00000839 0.00000104 Cu 3.84036689 0.01492444 24.43362447 -0.00000027 0.00000800 0.00000110 Cu 17.91708679 16.73321488 23.64237583 -0.00000021 0.00000845 0.00000112 Cu 6.39977045 0.01492445 24.43362446 -0.00000012 0.00000795 0.00000113 Cu 17.91708626 14.64479058 25.14633933 -0.00000013 0.00000758 0.00000109 Cu 21.75619136 16.73101188 25.86874217 -0.00000009 0.00000729 0.00000102 Cu 20.47648983 14.64479060 25.14633933 -0.00000024 0.00000750 0.00000098 Cu 24.31559493 16.73101189 25.86874216 -0.00000026 0.00000723 0.00000101 Cu 20.47648925 12.55083060 26.63445607 -0.00000020 0.00000670 0.00000080 Cu 24.31559429 14.64098279 27.35740142 -0.00000024 0.00000621 0.00000086 Cu 23.03589281 12.55083061 26.63445606 -0.00000012 0.00000676 0.00000094 Cu 26.87499785 14.64098278 27.35740142 -0.00000005 0.00000623 0.00000091 Cu 23.03589218 10.45910188 28.08770474 -0.00000009 0.00000570 0.00000076 Cu 11.51857575 12.54810156 28.83999863 -0.00000003 0.00000529 0.00000080 Cu 10.23887434 10.45910188 28.08770474 -0.00000018 0.00000562 0.00000069 Cu 14.07797932 12.54810155 28.83999864 -0.00000022 0.00000524 0.00000080 Cu 10.23887361 8.36829319 29.56901764 -0.00000011 0.00000460 0.00000054 Cu 14.07797859 10.45631217 30.30283045 -0.00000018 0.00000410 0.00000056 Cu 12.79827718 8.36829318 29.56901764 -0.00000011 0.00000466 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Cu 7.67946177 4.16733869 45.76326950 0.00000018 -0.00000793 -0.00000112 Cu 11.51856685 6.25674662 46.55451815 0.00000021 -0.00000848 -0.00000110 Cu 10.23886534 4.16733868 45.76326950 0.00000020 -0.00000790 -0.00000107 Cu 14.07797042 6.25674661 46.55451815 0.00000020 -0.00000845 -0.00000112 Cu 10.23886488 2.07130229 47.26029829 0.00000018 -0.00000872 -0.00000118 Cu 14.07797006 4.16571390 47.95588486 0.00000026 -0.00000889 -0.00000124 Cu 12.79826845 2.07130228 47.26029830 0.00000023 -0.00000878 -0.00000127 Cu 16.63737363 4.16571390 47.95588486 0.00000017 -0.00000887 -0.00000124 Cu 28.15468947 18.79181300 48.79652073 0.00000024 -0.00000929 -0.00000128 Cu 16.63737331 2.06421528 49.46603151 0.00000015 -0.00000946 -0.00000127 Cu 15.35767163 18.79181300 48.79652073 0.00000021 -0.00000920 -0.00000121 Cu 3.84035546 2.06421529 49.46603151 0.00000030 -0.00000946 -0.00000130 Cu 15.35767142 16.69292562 50.13578822 0.00000020 -0.00000957 -0.00000130 Cu 19.19677664 18.78190298 51.06492849 0.00000027 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12.56626866 20.06110577 -0.00000028 0.00000959 0.00000134 Cu 15.35768389 8.38728063 20.73086248 -0.00000026 0.00000942 0.00000125 Cu 19.19678914 10.46738128 21.40037326 -0.00000025 0.00000926 0.00000122 Cu 17.91708745 8.38728062 20.73086248 -0.00000019 0.00000943 0.00000129 Cu 21.75619270 10.46738129 21.40037325 -0.00000019 0.00000927 0.00000128 Cu 17.91708714 6.28578200 22.24100911 -0.00000012 0.00000894 0.00000120 Cu 21.75619232 8.38019364 22.93659568 -0.00000016 0.00000877 0.00000124 Cu 20.47649072 6.28578201 22.24100911 -0.00000031 0.00000892 0.00000118 Cu 8.95917448 8.38019365 22.93659567 -0.00000025 0.00000869 0.00000119 Cu 5.12006895 4.19474931 23.64237581 -0.00000023 0.00000835 0.00000113 Cu 8.95917402 6.28415725 24.43362445 -0.00000020 0.00000799 0.00000113 Cu 7.67947251 4.19474932 23.64237580 -0.00000017 0.00000833 0.00000112 Cu 11.51857759 6.28415724 24.43362445 -0.00000018 0.00000801 0.00000122 Cu 7.67947199 2.10632502 25.14633930 -0.00000013 0.00000760 0.00000098 Cu 11.51857709 4.19254630 25.86874215 -0.00000019 0.00000725 0.00000101 Cu 10.23887556 2.10632502 25.14633929 -0.00000024 0.00000764 0.00000103 Cu 14.07798065 4.19254629 25.86874216 -0.00000016 0.00000717 0.00000101 Cu 10.23887497 0.01236504 26.63445604 -0.00000013 0.00000666 0.00000096 Cu 14.07798002 2.10251718 27.35740142 -0.00000013 0.00000632 0.00000086 Cu 12.79827854 0.01236503 26.63445605 -0.00000020 0.00000663 0.00000087 Cu 16.63738359 2.10251718 27.35740142 -0.00000017 0.00000629 0.00000090 Cu 28.15469932 16.72833466 28.08770474 -0.00000015 0.00000573 0.00000070 Cu 1.28096148 0.00963597 28.83999863 -0.00000019 0.00000518 0.00000072 Cu 15.35768147 16.72833465 28.08770474 -0.00000013 0.00000582 0.00000077 Cu 3.84036504 0.00963597 28.83999863 -0.00000006 0.00000516 0.00000076 Cu 15.35768074 14.63752596 29.56901765 -0.00000008 0.00000458 0.00000066 Cu 19.19678573 16.72554495 30.30283044 -0.00000004 0.00000417 0.00000060 Cu 17.91708432 14.63752596 29.56901765 -0.00000014 0.00000451 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