864 Lattice="21.453476662396938 0.0 0.0 0.0 21.453476662396938 0.0 0.0 0.0 21.453476662396938" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2816.4586224127256 stress="-0.004117731646333729 7.98992917116134e-05 7.093015076123035e-06 7.98992917116134e-05 -0.004145034762084194 3.0191364890552567e-05 7.093015076123035e-06 3.0191364890552567e-05 -0.004146195319574479" pbc="F F F" Cu 0.01598246 0.00204235 0.02773020 0.48054552 0.50457251 0.46218518 Cu 1.75394709 1.81973187 0.00079077 0.09620040 -0.13486984 -0.07801514 Cu 1.75726843 0.02209273 1.79347298 0.25432737 -0.03425087 -0.06259693 Cu 0.00924057 1.77348800 1.78467417 -0.08763398 0.16914882 -0.04505007 Cu 3.56544907 0.03383112 0.00877472 -0.11787783 0.23427518 0.22033421 Cu 5.38956195 1.77686359 0.02532978 -0.13649962 0.15157940 -0.09587628 Cu 5.33775314 0.02693699 1.78842420 0.08533281 -0.09807738 0.02318408 Cu 3.54803541 1.80497963 1.73938411 0.22467770 -0.19186059 0.23511238 Cu 7.13213901 0.01202192 0.00269343 0.03532487 0.19808829 0.30362093 Cu 8.91995450 1.76598832 0.02732436 0.07328660 0.21551312 -0.16788017 Cu 8.92235648 0.03244780 1.78745459 0.01073209 -0.17958658 0.12050358 Cu 7.15469942 1.77989917 1.81471340 -0.18916199 0.06708116 -0.13056509 Cu 10.69234472 0.01308197 0.00231889 0.13467873 0.25154611 0.31241776 Cu 12.50357377 1.81069817 0.01762253 0.21784196 -0.21090854 -0.12224424 Cu 12.52803615 0.01542132 1.79123163 0.07476993 -0.06971060 -0.19757536 Cu 10.75811501 1.78009160 1.77843967 -0.23530375 0.14713319 0.04324210 Cu 14.32398784 0.00252808 0.01150890 -0.09289642 0.29405391 0.28111519 Cu 16.06398900 1.79425244 0.00539092 0.18538865 0.06306136 -0.07556154 Cu 16.12267032 0.01044486 1.76762131 -0.08760084 -0.17303986 0.14481497 Cu 14.34253936 1.76698839 1.80558505 -0.32694584 0.28365329 -0.20080106 Cu 17.84544111 0.00921445 0.01431379 0.07729352 0.29225470 0.20829499 Cu 19.63375874 1.78693507 0.00909717 -0.31643152 0.09949484 0.28059011 Cu 19.68384897 0.00701841 1.76101387 -0.45546252 0.39013441 0.14963862 Cu 17.87373027 1.77301717 1.76920390 0.15002852 0.11473315 0.07236164 Cu 0.01021947 3.58241309 0.03152911 0.18335367 -0.05897978 0.24169715 Cu 1.77994714 5.34256179 0.01789610 0.07809313 0.07526961 -0.04179539 Cu 1.82119028 3.55695260 1.80688752 -0.24761287 0.23900780 -0.26206769 Cu 0.02418411 5.34505985 1.78675455 -0.09655783 0.09055451 0.13958777 Cu 3.60141409 3.60967724 0.00756869 -0.14873870 -0.23555706 -0.20779328 Cu 5.35196711 5.36149801 0.02167575 0.07637114 0.21058413 -0.21042323 Cu 5.34189251 3.60962561 1.80180956 0.17915274 -0.43949137 -0.05400498 Cu 3.59078694 5.37849100 1.77818109 -0.27435753 0.09436618 0.09416024 Cu 7.12535090 3.56941550 0.00095746 0.11534651 -0.01949247 -0.08319775 Cu 8.96924578 5.38781446 0.03475380 -0.18794072 -0.14571685 -0.22603083 Cu 8.91303735 3.55671182 1.77752825 0.26784352 0.03860317 -0.00472733 Cu 7.15974363 5.34899389 1.76093634 -0.06675341 0.14787779 0.25575841 Cu 10.75809994 3.59614095 0.02043541 -0.39374371 -0.17920643 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0.31335248 -0.25542883 Cu 3.57537158 12.54295337 1.80873028 -0.09015161 -0.30970337 -0.01279641 Cu 7.17437408 10.70259731 0.02685563 -0.11381152 0.27430242 -0.17994033 Cu 8.95664871 12.53275337 0.00783120 -0.13799361 -0.11204837 -0.17000497 Cu 8.95269014 10.74960102 1.79697137 -0.00266959 -0.22851286 -0.03223482 Cu 7.16933921 12.52396766 1.78690589 -0.18824198 -0.20875946 -0.28279464 Cu 10.70422670 10.69149215 0.00875815 0.16790954 0.16938220 -0.12575043 Cu 12.50601815 12.48248268 0.02735614 0.06259153 0.27186256 -0.31646903 Cu 12.53858098 10.74667823 1.77304766 -0.29539199 -0.17708031 0.33063682 Cu 10.74728334 12.51533610 1.75468603 -0.15535495 -0.07035402 0.28955981 Cu 14.26688547 10.70324539 0.01823007 0.33808237 0.10445878 -0.28462971 Cu 16.10278761 12.50699267 0.02111366 -0.01129930 -0.00494459 -0.36913544 Cu 16.09458346 10.76900642 1.78080220 -0.03109895 -0.32148184 -0.08615189 Cu 14.32946063 12.53540569 1.76175360 -0.27699941 -0.11655394 0.27041992 Cu 17.86681970 10.73769078 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