864 Lattice="15.33714220474028 0.0 0.0 15.337142204740278 18.78408625705915 0.0 0.0 0.0 70.83922544405095" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3006.9921852597067 stress="0.0021597114179543893 -1.8174555675471173e-07 -4.2832116496179787e-07 -1.8174555675471173e-07 0.0017343082368893677 2.624077822798363e-06 -4.2832116496179787e-07 2.624077822798363e-06 3.530066874799979e-07" free_energy=-3006.9921852597067 pbc="T T F" Cu 15.33843935 0.00961782 17.82194249 -0.00000116 0.00000840 0.00000137 Cu 3.83558254 2.08855762 18.48344705 -0.00000113 0.00000834 0.00000092 Cu 2.55748749 0.00961810 17.82194236 -0.00000118 0.00000833 0.00000122 Cu 6.39177297 2.08855697 18.48344745 -0.00000132 0.00000854 0.00000084 Cu 17.89462935 16.70731653 19.17744217 -0.00000134 0.00000834 0.00000141 Cu 6.39177211 0.01045708 19.96910693 -0.00000153 0.00000822 0.00000093 Cu 20.45081984 16.70731611 19.17744251 -0.00000129 0.00000868 0.00000133 Cu 8.94796244 0.01045662 19.96910725 -0.00000084 0.00000834 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19.17267987 14.61126313 36.16132477 -0.00000011 -0.00000060 -0.00000006 Cu 17.89458759 12.52414388 35.42343509 -0.00000039 -0.00000043 0.00000031 Cu 21.72887019 14.61126276 36.16132507 0.00000047 -0.00000074 -0.00000059 Cu 17.89458226 10.43704084 36.89896612 -0.00000033 -0.00000111 0.00000030 Cu 21.72886497 12.52423653 37.63717078 0.00000059 -0.00000255 -0.00000045 Cu 20.45077256 10.43704056 36.89896633 0.00000070 -0.00000124 0.00000007 Cu 24.28505537 12.52423626 37.63717093 0.00000004 -0.00000206 -0.00000005 Cu 20.45076723 8.34995307 38.37523839 0.00000072 -0.00000271 -0.00000041 Cu 8.94790804 10.43711377 39.11241219 0.00000038 -0.00000253 -0.00000037 Cu 7.66981544 8.34995272 38.37523864 0.00000001 -0.00000261 -0.00000042 Cu 11.50409841 10.43711392 39.11241213 0.00000052 -0.00000281 -0.00000087 Cu 7.66981012 6.26298819 39.85104454 0.00000029 -0.00000341 -0.00000039 Cu 11.50409337 8.34996927 40.58928194 0.00000060 -0.00000450 -0.00000053 Cu 10.22600046 6.26298813 39.85104457 0.00000091 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50.13966836 0.00000094 -0.00000840 -0.00000072 Cu 29.39740480 18.77651084 50.93133159 0.00000141 -0.00000875 -0.00000108 Cu 28.11931016 16.68928305 50.13966816 0.00000160 -0.00000870 -0.00000083 Cu 16.61645288 18.77651099 50.93133143 0.00000130 -0.00000858 -0.00000094 Cu 12.78216747 14.61118326 51.62532813 0.00000126 -0.00000853 -0.00000137 Cu 16.61645263 16.69012362 52.28683198 0.00000121 -0.00000880 -0.00000122 Cu 15.33835780 14.61118357 51.62532791 0.00000122 -0.00000859 -0.00000115 Cu 19.17264300 16.69012341 52.28683211 0.00000130 -0.00000872 -0.00000143 Cu 20.45082087 12.53234139 17.82194177 -0.00000150 0.00000858 0.00000149 Cu 24.28510601 14.61128050 18.48344645 -0.00000142 0.00000868 0.00000119 Cu 23.00701123 12.53234063 17.82194219 -0.00000129 0.00000882 0.00000133 Cu 26.84129623 14.61128060 18.48344637 -0.00000127 0.00000875 0.00000127 Cu 23.00701112 10.44595320 19.17744283 -0.00000150 0.00000875 0.00000124 Cu 11.50415372 12.53318085 19.96910626 -0.00000150 0.00000849 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0.00000718 0.00000022 Cu 2.55747865 2.08877723 25.09043337 -0.00000111 0.00000678 0.00000098 Cu 6.39176246 4.17498211 25.82847865 -0.00000102 0.00000586 0.00000059 Cu 5.11366899 2.08877687 25.09043363 -0.00000095 0.00000692 0.00000117 Cu 8.94795284 4.17498169 25.82847895 -0.00000097 0.00000603 0.00000063 Cu 5.11366547 0.00111766 26.57122496 -0.00000075 0.00000596 0.00000090 Cu 8.94794894 2.08848356 27.30518824 -0.00000067 0.00000587 0.00000032 Cu 7.66985586 0.00111716 26.57122534 -0.00000116 0.00000589 0.00000064 Cu 11.50413935 2.08848367 27.30518817 -0.00000111 0.00000564 0.00000020 Cu 23.00699401 16.69795569 28.04353393 -0.00000092 0.00000525 0.00000055 Cu 11.50413503 0.00119443 28.78332454 -0.00000085 0.00000450 0.00000027 Cu 25.56318438 16.69795553 28.04353402 -0.00000079 0.00000529 0.00000080 Cu 14.06032539 0.00119490 28.78332419 -0.00000069 0.00000441 0.00000054 Cu 25.56317982 14.61113235 29.51949269 -0.00000075 0.00000459 0.00000085 Cu 14.06032061 16.69811388 30.25773019 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10.43695840 34.68533898 0.00000009 0.00000047 -0.00000052 Cu 5.11363580 6.26278152 35.42343552 -0.00000040 -0.00000004 0.00000019 Cu 8.94791865 8.34990055 36.16132503 0.00000025 -0.00000136 -0.00000028 Cu 7.66982611 6.26278114 35.42343580 0.00000042 -0.00000003 0.00000014 Cu 11.50410905 8.34990065 36.16132491 -0.00000009 -0.00000097 0.00000022 Cu 7.66982047 4.17567810 36.89896705 0.00000044 -0.00000133 -0.00000031 Cu 11.50410350 6.26287431 37.63717095 0.00000035 -0.00000157 -0.00000027 Cu 10.22601087 4.17567803 36.89896711 0.00000007 -0.00000144 -0.00000043 Cu 14.06029388 6.26287469 37.63717071 0.00000025 -0.00000187 -0.00000062 Cu 10.22600531 2.08859049 38.37523918 0.00000042 -0.00000247 -0.00000046 Cu 14.06028839 4.17575220 39.11241216 0.00000041 -0.00000336 -0.00000035 Cu 12.78219567 2.08859077 38.37523895 0.00000060 -0.00000239 -0.00000014 Cu 16.61647874 4.17575242 39.11241198 0.00000071 -0.00000320 -0.00000014 Cu 12.78219049 0.00162623 39.85104477 0.00000056 -0.00000326 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44.28029690 0.00000092 -0.00000660 -0.00000088 Cu 26.84122309 14.61096317 45.01834179 0.00000086 -0.00000641 -0.00000099 Cu 23.00693591 10.43738467 45.74753805 0.00000099 -0.00000676 -0.00000128 Cu 11.50407791 12.52526986 46.49769149 0.00000102 -0.00000754 -0.00000109 Cu 10.22598405 10.43738465 45.74753804 0.00000121 -0.00000676 -0.00000086 Cu 14.06026827 12.52527018 46.49769123 0.00000121 -0.00000757 -0.00000105 Cu 10.22598092 8.34862713 47.23383458 0.00000141 -0.00000754 -0.00000114 Cu 14.06026546 10.43778304 47.95277388 0.00000166 -0.00000769 -0.00000083 Cu 12.78217130 8.34862742 47.23383437 0.00000110 -0.00000795 -0.00000119 Cu 16.61645590 10.43778320 47.95277375 0.00000082 -0.00000776 -0.00000084 Cu 12.78216887 6.26320101 48.72050181 0.00000126 -0.00000820 -0.00000103 Cu 16.61645365 8.34357177 49.44624666 0.00000133 -0.00000836 -0.00000102 Cu 15.33835922 6.26320128 48.72050155 0.00000149 -0.00000831 -0.00000084 Cu 19.17264400 8.34357160 49.44624678 0.00000141 -0.00000827 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