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=-39.58066863859714 stress="-0.000379075772327528 3.710583731881862e-05 5.1191770980669896e-05 3.710583731881862e-05 -0.0002962360829957734 -0.00010150381736566207 5.1191770980669896e-05 -0.00010150381736566207 -0.00032696849120791936" pbc="F F F" Al 20.91870436 21.04860922 21.20118821 -0.45216467 -0.22693508 -0.41681250 Al 22.70960170 22.31143450 22.33833517 -1.00324714 2.27081908 0.72096587 Al 23.78829595 20.83509776 21.14041416 1.35090275 -2.21484650 -1.73518290 Al 25.27812781 22.79098848 22.26215777 2.20242849 -1.31141890 0.71844057 Al 20.87679405 23.95894820 21.33392310 -1.21880269 -0.91342772 -0.57417482 Al 22.56504129 25.20865944 22.36550211 -5.24499884 6.40559398 3.82027279 Al 23.78802619 24.22277084 21.18584377 4.10464014 -2.31441875 -6.98449036 Al 25.40955323 25.48086654 22.83050726 1.07671594 0.93753971 -0.18375939 Al 21.26959405 21.37914956 23.85402479 -1.88214799 -1.02110790 1.00953605 Al 22.79339672 22.28792533 25.65300231 -0.37160632 0.97909704 1.72558030 Al 23.98657770 20.95774659 24.13946649 0.46870174 -1.90418417 -1.16754673 Al 25.63979664 22.38825682 25.09225101 0.72468032 0.76777569 0.40113993 Al 21.19178619 24.17895518 24.50360124 -2.09073945 -1.51931130 -1.25545006 Al 22.53940734 25.53253581 25.64904689 1.30613121 1.71780729 1.59036809 Al 23.78091226 24.10609294 23.96603997 0.79978832 -1.77692155 2.02417867 Al 25.43588690 25.10378048 25.57571598 0.22971819 0.12393909 0.30693449