16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-38.33019423709481 stress="0.00016887587299026344 5.225741127364151e-05 4.293302492593761e-05 5.225741127364151e-05 0.00018007028657357122 -5.75026967180815e-06 4.293302492593761e-05 -5.75026967180815e-06 0.00015640274509735595" pbc="F F F" Cu 20.85540510 21.11115480 21.11044915 0.88346070 0.75116543 0.77481933 Cu 22.70960170 22.31143450 22.33833517 -1.12488283 1.86261158 0.93732959 Cu 23.64028300 20.83509776 21.11608958 0.28279642 -0.47009434 -0.01260547 Cu 25.27812781 22.51878885 22.32834452 -0.74438134 0.34286212 0.55719526 Cu 20.87679405 23.95894820 21.20259391 0.74669478 -0.83207889 0.65292786 Cu 22.56504129 25.20865944 22.36550211 -1.81743784 1.40852738 1.57590483 Cu 23.78802619 24.22277084 21.18584377 1.89158095 -1.41311781 -1.11588452 Cu 25.68362810 25.69581920 22.64685009 -1.42503984 -1.24123032 0.56647018 Cu 21.26959405 21.17626233 23.85402479 0.69708367 0.68942662 -0.32066509 Cu 22.70996341 22.49207130 25.65300231 0.34876488 0.45155849 -1.18004619 Cu 24.03848316 20.95774659 23.91852158 -0.49202583 0.73410767 -0.20600216 Cu 25.45789336 22.38825682 25.27041603 -0.90393959 0.79589807 -0.61735296 Cu 21.19178619 24.17895518 24.29140871 0.68344989 -0.89272518 -0.67010163 Cu 22.61455359 25.53253581 25.64904689 0.65091033 -0.68736384 -0.45456966 Cu 23.78091226 24.10609294 23.96603997 0.99556753 -0.83587708 0.33183782 Cu 25.30598025 25.32157598 25.51361598 -0.67260188 -0.66366990 -0.81925721