864 Lattice="15.336972293935197 0.0 0.0 15.3369722939352 18.783878159672025 0.0 0.0 0.0 70.83844065965854" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2997.2049068021133 stress="0.0029690914735602723 -2.355056482816554e-07 -5.272004931623129e-07 -2.355056482816554e-07 0.0026384607601557452 2.747477403793989e-06 -5.272004931623129e-07 2.747477403793989e-06 3.6708324251842544e-07" pbc="T T F" Cu 0.00130703 -0.00694458 17.82606003 -0.00000185 0.00000906 0.00000112 Cu 3.83554997 2.09752998 18.45890985 -0.00000185 0.00000893 0.00000087 Cu 2.55746906 -0.00694457 17.82606003 -0.00000155 0.00000908 0.00000123 Cu 6.39171201 2.09752994 18.45890987 -0.00000171 0.00000913 0.00000108 Cu 17.89444072 16.70871787 19.16201848 -0.00000156 0.00000903 0.00000139 Cu 6.39171071 0.01636738 19.98122456 -0.00000136 0.00000864 0.00000158 Cu 20.45060280 16.70871785 19.16201849 -0.00000188 0.00000902 0.00000124 Cu 24.28484509 18.80024553 19.98122461 -0.00000199 0.00000840 0.00000082 Cu 20.45060148 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36.16101590 0.00000055 -0.00000225 -0.00000057 Cu 17.89438759 12.52402462 35.42324425 0.00000409 -0.00000088 -0.00000023 Cu 21.72862892 14.61110947 36.16101575 -0.00000083 0.00000073 0.00000212 Cu 17.89438214 10.43694011 36.89827635 0.00000351 -0.00000096 -0.00000033 Cu 21.72862194 12.52415582 37.63698959 0.00000044 -0.00000122 0.00000195 Cu 20.45054439 10.43694025 36.89827636 -0.00000122 -0.00000215 -0.00000026 Cu 24.28478412 12.52415602 37.63698978 -0.00000039 -0.00000252 -0.00000210 Cu 20.45053756 8.34987761 38.37511273 -0.00000289 -0.00000250 -0.00000150 Cu 8.94780547 10.43703986 39.11145357 0.00000070 -0.00000460 -0.00000137 Cu 7.66972702 8.34987778 38.37511267 0.00000387 -0.00000234 -0.00000044 Cu 11.50396748 10.43703956 39.11145348 0.00000115 -0.00000100 0.00000086 Cu 7.66972100 6.26301512 39.85099909 0.00000339 -0.00000381 0.00000051 Cu 11.50396138 8.34988540 40.58941617 0.00000147 -0.00000374 0.00000176 Cu 10.22588337 6.26301504 39.85099925 -0.00000161 -0.00000340 -0.00000099 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Cu 10.22595321 2.09385806 20.65858257 -0.00000110 0.00000902 0.00000148 Cu 14.06019537 4.17478621 21.38244375 -0.00000136 0.00000869 0.00000107 Cu 12.78211532 2.09385808 20.65858257 -0.00000229 0.00000874 0.00000124 Cu 16.61635744 4.17478627 21.38244376 -0.00000185 0.00000788 0.00000057 Cu 12.78211290 0.00008883 22.16218845 -0.00000251 0.00000819 0.00000076 Cu 16.61635469 2.09002349 22.87153976 -0.00000193 0.00000748 0.00000034 Cu 15.33827485 0.00008884 22.16218838 -0.00000069 0.00000845 0.00000163 Cu 3.83554440 2.09002344 22.87153971 -0.00000121 0.00000827 0.00000172 Cu 15.33827184 16.69656281 23.60773687 -0.00000105 0.00000814 0.00000177 Cu 3.83554056 0.00103257 24.36467391 -0.00000045 0.00000772 0.00000151 Cu 17.89443393 16.69656286 23.60773692 -0.00000180 0.00000738 0.00000086 Cu 6.39170270 0.00103260 24.36467397 -0.00000245 0.00000686 0.00000041 Cu 17.89442990 14.61141811 25.08839962 -0.00000107 0.00000674 0.00000029 Cu 21.72867089 16.69734169 25.82666361 -0.00000234 0.00000640 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