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=-33.12187460391783 stress="0.00020375108695788914 5.875294281874095e-05 6.052677568969767e-05 5.875294281874095e-05 0.00020078472847927942 -1.1878451962587217e-05 6.052677568969767e-05 -1.1878451962587217e-05 0.00018780045221047066" pbc="F F F" Cu 20.85540510 21.11115480 21.11044915 1.01890798 0.87735576 0.86977165 Cu 22.70960170 22.31143450 22.33833517 -1.15284050 1.80649842 1.21123909 Cu 23.64028300 20.89839703 21.14041416 0.36552874 -0.50392981 -0.22087343 Cu 25.27812781 22.51878885 22.32834452 -0.88655957 0.37205984 0.67244436 Cu 20.87679405 23.95894820 21.20259391 0.91256645 -0.89706838 0.74558646 Cu 22.56504129 25.20865944 22.36550211 -1.96139201 1.33479323 1.90129226 Cu 23.78802619 24.22277084 21.18584377 1.89012435 -1.74019541 -1.11158797 Cu 25.68362810 25.69581920 22.64685009 -1.21602640 -1.13853859 0.62030408 Cu 21.26959405 21.17626233 23.85402479 0.85288182 0.85610367 -0.38482380 Cu 22.70996341 22.49207130 25.65300231 0.41834542 0.45791849 -1.28563531 Cu 24.03848316 20.95774659 23.91852158 -0.49743851 0.87838944 -0.21236037 Cu 25.45789336 22.38825682 25.27041603 -1.19215368 0.81824980 -0.88849310 Cu 21.19178619 24.17895518 24.29140871 0.95842808 -0.76677326 -0.58924974 Cu 22.61455359 25.53253581 25.64904689 0.70169294 -0.83550082 -0.68855746 Cu 23.78091226 24.10609294 23.96603997 0.69813021 -0.73239013 0.34628401 Cu 25.30598025 25.32157598 25.51361598 -0.91019533 -0.78697224 -0.98534073