864 Lattice="15.222042048512566 0.0 0.0 15.222042048512565 18.643117931022882 0.0 0.0 0.0 35.15380029729813" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2999.510067605622 stress="28.09599518671525 -0.01428692153588873 -0.03286997834558214 -0.01428692153588873 17.99861318931677 0.04304106528335083 -0.03286997834558214 0.04304106528335083 0.006009028178395326" pbc="T T F" Cu 0.00140415 -0.01016399 0.06664830 -0.00000481 0.00000636 0.00000106 Cu 3.80691359 2.05775285 0.74363380 -0.00000487 0.00000642 0.00000086 Cu 2.53841109 -0.01016319 0.06664785 -0.00000479 0.00000612 0.00000118 Cu 6.34392072 2.05775123 0.74363483 -0.00000491 0.00000690 0.00000057 Cu 17.76045080 16.56942801 1.45201709 -0.00000505 0.00000626 0.00000165 Cu 21.56595950 18.64439181 2.22320663 -0.00000483 0.00000692 0.00000098 Cu 20.29745812 16.56942703 1.45201789 -0.00000517 0.00000658 0.00000139 Cu 24.10296650 18.64439056 2.22320755 -0.00000478 0.00000726 0.00000070 Cu 20.29745495 14.50384018 2.92851631 -0.00000514 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