864 Lattice="15.331124121569022 0.0 0.0 15.33112412156902 18.77671564055954 0.0 0.0 0.0 70.8114291085395" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3007.6115934801614 stress="0.0021625647514982626 -1.813579105541123e-07 -4.274347149934547e-07 -1.813579105541123e-07 0.0017364288571203395 2.624760782902683e-06 -4.274347149934547e-07 2.624760782902683e-06 3.536841299801751e-07" free_energy=-3007.6115934801614 pbc="T T F" Cu 0.00129698 0.00961628 17.81494810 -0.00000114 0.00000839 0.00000137 Cu 3.83407785 2.08773457 18.47618879 -0.00000114 0.00000835 0.00000092 Cu 2.55648431 0.00961655 17.81494796 -0.00000119 0.00000833 0.00000121 Cu 6.38926527 2.08773393 18.47618918 -0.00000131 0.00000852 0.00000086 Cu 17.88760808 16.70076295 19.16991402 -0.00000132 0.00000832 0.00000142 Cu 6.38926441 0.01045491 19.96127038 -0.00000155 0.00000825 0.00000092 Cu 20.44279556 16.70076253 19.16991436 -0.00000130 0.00000868 0.00000133 Cu 8.94445172 0.01045446 19.96127070 -0.00000081 0.00000831 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