504 Lattice="15.336828252873103 0.0 0.0 0.0 10.8447752595 0.0 0.0 0.0 35.78593259003723" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1753.6357139708175 stress="24.51458307875294 1.1855863846221837e-07 -0.02496377780544634 1.1855863846221837e-07 27.62792809425706 0.0016539383388050055 -0.02496377780544634 0.0016539383388050055 -1.4137251177714916e-05" pbc="T T F" Cu 0.00665409 0.00653017 0.07203232 -0.00000852 0.00000018 0.00000181 Cu 2.56279338 0.00653017 0.07203423 -0.00000846 0.00000054 0.00000171 Cu 1.28471632 1.81399277 1.28914395 -0.00000727 0.00000053 0.00000183 Cu 3.84085460 1.81399289 1.28914829 -0.00000922 -0.00000070 0.00000002 Cu 2.56276840 0.00653044 2.56749437 -0.00000749 0.00000081 -0.00000023 Cu 5.11890647 0.00653048 2.56749949 -0.00000809 0.00000061 -0.00000007 Cu 3.84081463 1.81399332 3.83487656 -0.00000728 -0.00000009 0.00000071 Cu 6.39695272 1.81399334 3.83488142 -0.00000768 0.00000003 -0.00000168 Cu 5.11885342 0.00653114 5.11637881 -0.00000695 0.00000089 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-0.00000164 -0.00000040 Cu 1.28430394 1.81400001 14.06197939 0.00000028 0.00000070 0.00000053 Cu 0.00617703 0.00653884 15.34005089 -0.00000026 -0.00000030 0.00000116 Cu 2.56231475 0.00653885 15.34005263 0.00000077 0.00000003 0.00000117 Cu 1.28418788 1.81400272 16.61811938 0.00000251 0.00000039 0.00000099 Cu 3.84032592 1.81400284 16.61812215 -0.00000045 -0.00000078 -0.00000011 Cu 2.56219987 0.00654155 17.89619078 0.00000276 0.00000079 -0.00000015 Cu 5.11833788 0.00654166 17.89619352 0.00000158 -0.00000058 -0.00000038 Cu 3.84021363 1.81400556 19.17426002 0.00000178 -0.00000070 0.00000005 Cu 6.39635158 1.81400546 19.17426198 0.00000312 0.00000070 -0.00000078 Cu 5.11822961 0.00654430 20.45233303 0.00000215 -0.00000033 -0.00000056 Cu 7.67436768 0.00654424 20.45233359 0.00000338 0.00000023 -0.00000009 Cu 6.39624837 1.81400809 21.73039593 0.00000410 -0.00000080 -0.00000067 Cu 8.95238665 1.81400805 21.73039523 0.00000326 -0.00000050 -0.00000146 Cu 7.67427070 0.00654665 23.00848071 0.00000337 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0.00000636 -0.00000001 -0.00000032 Cu 3.83985920 1.81401347 31.94681761 0.00000386 -0.00000129 -0.00000039 Cu 2.56177936 0.00655094 33.22516540 0.00000579 0.00000071 -0.00000033 Cu 5.11791750 0.00655102 33.22516649 0.00000481 -0.00000001 -0.00000010 Cu 3.83984386 1.81401366 34.44227762 0.00000496 -0.00000072 -0.00000051 Cu 6.39598234 1.81401366 34.44227776 0.00000542 -0.00000049 -0.00000026 Cu 0.00665407 3.62145520 0.07203232 -0.00000801 0.00000084 0.00000176 Cu 2.56279341 3.62145527 0.07203429 -0.00000888 0.00000028 0.00000113 Cu 1.28471647 5.42891796 1.28914395 -0.00000918 -0.00000087 0.00000190 Cu 3.84085449 5.42891792 1.28914830 -0.00000777 0.00000033 -0.00000007 Cu 2.56276855 3.62145555 2.56749428 -0.00000967 0.00000009 0.00000106 Cu 5.11890634 3.62145552 2.56749948 -0.00000643 0.00000110 0.00000000 Cu 3.84081457 5.42891834 3.83487657 -0.00000650 0.00000092 0.00000059 Cu 6.39695271 5.42891848 3.83488140 -0.00000780 -0.00000079 -0.00000152 Cu 5.11885336 3.62145625 5.11637884 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14.06197930 -0.00000031 0.00000001 0.00000118 Cu 1.28430407 5.42892521 14.06197936 -0.00000161 -0.00000087 0.00000102 Cu 0.00617690 3.62146376 15.34005089 0.00000146 0.00000224 0.00000104 Cu 2.56231485 3.62146402 15.34005269 -0.00000076 -0.00000093 0.00000013 Cu 1.28418803 5.42892791 16.61811940 0.00000016 -0.00000112 0.00000086 Cu 3.84032574 5.42892778 16.61812212 0.00000212 0.00000130 0.00000039 Cu 2.56220004 3.62146673 17.89619071 0.00000019 -0.00000065 0.00000096 Cu 5.11833777 3.62146665 17.89619345 0.00000316 0.00000088 0.00000063 Cu 3.84021350 5.42893060 19.17426008 0.00000362 -0.00000013 -0.00000075 Cu 6.39635172 5.42893066 19.17426205 0.00000111 -0.00000082 -0.00000178 Cu 5.11822949 3.62146937 20.45233312 0.00000386 -0.00000013 -0.00000180 Cu 7.67436770 3.62146945 20.45233365 0.00000309 -0.00000134 -0.00000095 Cu 6.39624843 5.42893314 21.73039585 0.00000318 -0.00000012 0.00000052 Cu 8.95238661 5.42893310 21.73039516 0.00000379 0.00000022 -0.00000049 Cu 7.67427067 3.62147171 23.00848063 0.00000371 -0.00000013 0.00000003 Cu 10.23040889 3.62147170 23.00847890 0.00000406 -0.00000034 0.00000066 Cu 8.95229671 5.42893529 24.28650965 0.00000498 -0.00000083 -0.00000036 Cu 11.50843491 5.42893525 24.28650763 0.00000506 -0.00000057 0.00000025 Cu 10.23032708 3.62147363 25.56467222 0.00000419 -0.00000123 -0.00000061 Cu 12.78646516 3.62147358 25.56467062 0.00000499 -0.00000071 -0.00000018 Cu 11.50836188 5.42893679 26.84250878 0.00000527 0.00000039 0.00000071 Cu 14.06450000 5.42893678 26.84250810 0.00000436 0.00000046 0.00000072 Cu 12.78640137 3.62147493 28.12115622 0.00000578 -0.00000100 0.00000075 Cu 0.00571117 3.62147494 28.12115667 0.00000492 -0.00000098 0.00000039 Cu 14.06444596 5.42893785 29.39793509 0.00000525 0.00000038 -0.00000004 Cu 1.28375567 5.42893792 29.39793645 0.00000517 -0.00000046 -0.00000025 Cu 0.00566677 3.62147574 30.67943519 0.00000516 -0.00000071 0.00000015 Cu 2.56180473 3.62147573 30.67943704 0.00000510 -0.00000048 -0.00000015 Cu 1.28372114 5.42893850 31.94681591 0.00000490 -0.00000034 0.00000021 Cu 3.83985906 5.42893857 31.94681761 0.00000606 -0.00000141 0.00000016 Cu 2.56177940 3.62147608 33.22516541 0.00000517 -0.00000015 -0.00000055 Cu 5.11791746 3.62147599 33.22516652 0.00000543 0.00000141 -0.00000050 Cu 3.83984384 5.42893869 34.44227767 0.00000542 -0.00000051 -0.00000073 Cu 6.39598240 5.42893870 34.44227781 0.00000478 -0.00000041 -0.00000088 Cu 0.00665411 7.23638035 0.07203235 -0.00000853 0.00000031 0.00000158 Cu 2.56279338 7.23638037 0.07203434 -0.00000838 0.00000054 0.00000068 Cu 1.28471639 9.04384297 1.28914398 -0.00000825 0.00000054 0.00000168 Cu 3.84085455 9.04384304 1.28914828 -0.00000854 0.00000017 0.00000032 Cu 2.56276840 7.23638058 2.56749426 -0.00000743 0.00000122 0.00000144 Cu 5.11890646 7.23638065 2.56749950 -0.00000819 0.00000067 -0.00000016 Cu 3.84081461 9.04384357 3.83487659 -0.00000711 -0.00000070 0.00000038 Cu 6.39695273 9.04384348 3.83488141 -0.00000782 0.00000055 -0.00000152 Cu 5.11885348 7.23638135 5.11637880 -0.00000800 0.00000041 -0.00000099 Cu 7.67499148 7.23638136 5.11638169 -0.00000601 0.00000013 -0.00000020 Cu 6.39688646 9.04384440 6.39315949 -0.00000543 0.00000055 -0.00000103 Cu 8.95302471 9.04384445 6.39316009 -0.00000588 -0.00000071 -0.00000202 Cu 7.67491372 7.23638255 7.67180833 -0.00000485 -0.00000010 -0.00000265 Cu 10.23105200 7.23638238 7.67180643 -0.00000532 0.00000176 -0.00000168 Cu 8.95293624 9.04384580 8.94964526 -0.00000362 0.00000072 -0.00000058 Cu 11.50907455 9.04384578 8.94964166 -0.00000501 0.00000053 0.00000063 Cu 10.23095475 7.23638411 10.22780736 -0.00000348 0.00000153 -0.00000062 Cu 12.78709289 7.23638415 10.22780322 -0.00000342 0.00000061 0.00000044 Cu 11.50897009 9.04384784 11.50583514 -0.00000314 -0.00000056 -0.00000077 Cu 14.06510803 9.04384782 11.50583162 -0.00000202 -0.00000053 0.00000071 Cu 12.78698295 7.23638633 12.78391813 -0.00000116 0.00000112 0.00000100 Cu 0.00629270 7.23638637 12.78391623 -0.00000246 0.00000068 0.00000148 Cu 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7.67427062 7.23639679 23.00848074 0.00000444 -0.00000008 -0.00000138 Cu 10.23040894 7.23639678 23.00847895 0.00000335 -0.00000033 -0.00000010 Cu 8.95229675 9.04386039 24.28650964 0.00000438 -0.00000111 -0.00000018 Cu 11.50843496 9.04386023 24.28650767 0.00000436 0.00000081 -0.00000038 Cu 10.23032710 7.23639870 25.56467217 0.00000393 -0.00000093 0.00000021 Cu 12.78646512 7.23639874 25.56467058 0.00000561 -0.00000174 0.00000028 Cu 11.50836190 9.04386180 26.84250876 0.00000494 0.00000139 0.00000097 Cu 14.06449992 9.04386190 26.84250810 0.00000553 -0.00000022 0.00000065 Cu 12.78640137 7.23640007 28.12115624 0.00000565 -0.00000168 0.00000051 Cu 0.00571118 7.23639998 28.12115667 0.00000480 -0.00000056 0.00000028 Cu 14.06444590 9.04386294 29.39793509 0.00000599 -0.00000011 0.00000009 Cu 1.28375571 9.04386299 29.39793637 0.00000466 -0.00000086 0.00000091 Cu 0.00566673 7.23640077 30.67943523 0.00000568 -0.00000019 0.00000012 Cu 2.56180478 7.23640071 30.67943708 0.00000459 0.00000082 -0.00000029 Cu 1.28372116 9.04386357 31.94681597 0.00000467 -0.00000082 -0.00000071 Cu 3.83985909 9.04386358 31.94681771 0.00000561 -0.00000063 -0.00000136 Cu 2.56177944 7.23640117 33.22516547 0.00000469 -0.00000023 -0.00000030 Cu 5.11791743 7.23640119 33.22516659 0.00000602 -0.00000027 -0.00000079 Cu 3.83984385 9.04386382 34.44227762 0.00000531 -0.00000019 -0.00000015 Cu 6.39598237 9.04386386 34.44227777 0.00000508 -0.00000054 -0.00000035 Cu 5.11893165 0.00653022 0.07203951 -0.00000900 0.00000037 -0.00000087 Cu 7.67506861 0.00653022 0.07204280 -0.00000835 0.00000055 -0.00000215 Cu 6.39699246 1.81399283 1.28915333 -0.00000760 0.00000062 -0.00000121 Cu 8.95313042 1.81399285 1.28915413 -0.00000870 0.00000024 -0.00000170 Cu 7.67504448 0.00653044 2.56750271 -0.00000725 0.00000110 -0.00000063 Cu 10.23118268 0.00653045 2.56750070 -0.00000905 0.00000046 0.00000061 Cu 8.95309089 1.81399346 3.83488210 -0.00000763 -0.00000183 -0.00000190 Cu 11.50922895 1.81399329 3.83487804 -0.00000645 0.00000024 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0.00000388 -0.00000137 0.00000069 Cu 12.78654709 0.00654663 23.00847704 0.00000336 -0.00000090 -0.00000002 Cu 15.34268500 0.00654659 23.00847685 0.00000376 -0.00000003 -0.00000021 Cu 14.06457295 1.81401008 24.28650662 0.00000512 0.00000058 0.00000021 Cu 1.28388268 1.81401012 24.28650761 0.00000385 0.00000016 -0.00000009 Cu 0.00577484 0.00654850 25.56467069 0.00000556 -0.00000082 0.00000077 Cu 2.56191276 0.00654853 25.56467248 0.00000497 -0.00000090 -0.00000014 Cu 1.28380965 1.81401178 26.84250932 0.00000468 -0.00000078 0.00000011 Cu 3.83994752 1.81401188 26.84251116 0.00000503 -0.00000188 0.00000011 Cu 2.56184903 0.00654970 28.12115847 0.00000575 0.00000108 -0.00000018 Cu 5.11798703 0.00654973 28.12115979 0.00000509 0.00000098 -0.00000003 Cu 3.83989364 1.81401293 29.39793823 0.00000460 -0.00000191 -0.00000079 Cu 6.39603154 1.81401291 29.39793859 0.00000637 -0.00000144 -0.00000044 Cu 5.11794275 0.00655062 30.67943827 0.00000452 -0.00000026 -0.00000111 Cu 7.67408073 0.00655054 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7.23640086 30.67943573 0.00000491 -0.00000112 0.00000033 Cu 12.78635697 7.23640087 30.67943456 0.00000547 -0.00000150 0.00000041 Cu 11.50827336 9.04386351 31.94681456 0.00000485 0.00000058 0.00000164 Cu 14.06441134 9.04386349 31.94681439 0.00000581 0.00000044 0.00000090 Cu 12.78633169 7.23640121 33.22516275 0.00000485 -0.00000075 0.00000058 Cu 15.34246962 7.23640117 33.22516357 0.00000551 -0.00000040 0.00000004 Cu 14.06439608 9.04386379 34.44227449 0.00000547 0.00000006 0.00000017 Cu 1.28370562 9.04386382 34.44227598 0.00000513 -0.00000037 0.00000004