864 Lattice="15.33697637796932 0.0 0.0 15.33697637796932 18.78388316157187 0.0 0.0 0.0 35.419229761502066" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2997.21081777 stress="0.006109254127492277 -3.119504396535124e-07 -7.435255309962214e-07 -3.119504396535124e-07 0.005433226418506767 4.584337059004497e-06 -7.435255309962214e-07 4.584337059004497e-06 6.119522476532303e-07" pbc="T T F" Cu 0.00129136 -0.00675856 0.11657509 -0.00000168 0.00000737 0.00000066 Cu 3.83553535 2.09771447 0.74945776 -0.00000133 0.00000660 0.00000097 Cu 2.55745401 -0.00675852 0.11657498 -0.00000031 0.00000714 0.00000234 Cu 6.39169807 2.09771436 0.74945775 -0.00000106 0.00000755 0.00000178 Cu 17.89443004 16.70890369 1.45256833 -0.00000092 0.00000853 0.00000112 Cu 6.39169712 0.01656476 2.27172689 0.00000063 0.00000719 0.00000126 Cu 20.45059281 16.70890371 1.45256840 -0.00000153 0.00000762 0.00000049 Cu 8.94786004 0.01656476 2.27172708 -0.00000281 0.00000630 -0.00000153 Cu 20.45059196 14.61661098 2.94912685 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