864 Lattice="15.358359370822573 0.0 0.0 15.358359370822571 18.810071872403896 0.0 0.0 0.0 70.93722333644337" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3000.642983815063 stress="0.0007848164757805355 -1.926805160138673e-07 -4.7223863889133445e-07 -1.926805160138673e-07 0.0004078812888010321 2.7058945438821874e-06 -4.7223863889133445e-07 2.7058945438821874e-06 3.68410189564125e-07" free_energy=-3000.642983815063 pbc="T T F" Cu 0.00130234 0.02469656 17.78961050 -0.00000124 0.00000833 0.00000115 Cu 3.84089216 2.10517960 18.49792528 -0.00000202 0.00000864 0.00000150 Cu 2.56102899 0.02469641 17.78961045 -0.00000192 0.00000848 0.00000134 Cu 6.40061873 2.10517954 18.49792549 -0.00000132 0.00000828 0.00000089 Cu 17.91938743 16.73321882 19.17406900 -0.00000178 0.00000846 0.00000102 Cu 6.40061734 -0.00114918 19.97133535 -0.00000138 0.00000823 0.00000033 Cu 20.47911401 16.73321868 19.17406894 -0.00000130 0.00000848 0.00000114 Cu 8.96034389 -0.00114918 19.97133536 -0.00000170 0.00000869 0.00000145 Cu 20.47911234 14.63457499 20.69986750 -0.00000113 0.00000855 0.00000159 Cu 24.31870109 16.72100966 21.41822863 -0.00000124 0.00000843 0.00000155 Cu 23.03883890 14.63457501 20.69986735 -0.00000177 0.00000811 0.00000127 Cu 26.87842759 16.72100982 21.41822867 -0.00000146 0.00000760 0.00000098 Cu 23.03883687 12.54156588 22.17899651 -0.00000104 0.00000780 0.00000042 Cu 26.87842520 14.63165341 22.91346264 -0.00000179 0.00000791 0.00000061 Cu 25.59856340 12.54156592 22.17899640 -0.00000168 0.00000819 0.00000147 Cu 14.07979231 14.63165344 22.91346269 -0.00000063 0.00000798 0.00000104 Cu 10.24020139 10.45106778 23.64282061 -0.00000220 0.00000805 0.00000200 Cu 14.07978932 12.54097516 24.39174949 -0.00000018 0.00000709 0.00000116 Cu 12.79992785 10.45106788 23.64282085 -0.00000039 0.00000714 0.00000088 Cu 16.63951615 12.54097511 24.39174956 -0.00000236 0.00000732 0.00000178 Cu 12.79992443 8.36139626 25.12842173 0.00000077 0.00000661 0.00000005 Cu 16.63951253 10.45106077 25.86339980 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