864 Lattice="15.2220418904742 0.0 0.0 15.2220418904742 18.643117737466206 0.0 0.0 0.0 35.15379993232416" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2999.510068083641 stress="28.095873823420806 -0.014286902227426346 -0.03286992806273936 -0.014286902227426346 17.998454450651053 0.04303799038211942 -0.03286992806273936 0.04303799038211942 0.006008596820772816" pbc="T T F" Cu 0.00140415 -0.01016420 0.06664794 -0.00000481 0.00000636 0.00000106 Cu 3.80691355 2.05775264 0.74363345 -0.00000487 0.00000642 0.00000086 Cu 2.53841107 -0.01016339 0.06664749 -0.00000479 0.00000611 0.00000118 Cu 6.34392065 2.05775102 0.74363448 -0.00000491 0.00000689 0.00000057 Cu 17.76045062 16.56942765 1.45201676 -0.00000505 0.00000626 0.00000165 Cu 6.34391739 0.00127371 2.22320630 -0.00000483 0.00000692 0.00000098 Cu 20.29745791 16.56942667 1.45201756 -0.00000517 0.00000658 0.00000139 Cu 8.88092436 0.00127246 2.22320721 -0.00000478 0.00000726 0.00000070 Cu 20.29745474 14.50383987 2.92851599 -0.00000514 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