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=-81.70692148279645 stress="-0.0008398529928725602 1.200677574119711e-05 1.5035024559102938e-05 1.200677574119711e-05 -0.0006911744582679878 -0.0002720330314219327 1.5035024559102938e-05 -0.0002720330314219327 -0.0006946340347974552" pbc="F F F" Ta 20.91870436 21.04860922 21.20118821 -0.50108926 -0.10077535 -0.40555720 Ta 22.70960170 22.31143450 22.33833517 -3.01234581 4.19175788 2.98101818 Ta 23.78829595 20.83509776 21.14041416 2.58802276 -4.99673020 -3.60275129 Ta 25.27812781 22.79098848 22.26215777 5.47134229 -2.84169608 1.66840395 Ta 20.87679405 23.95894820 21.33392310 -2.78409521 -3.10860127 -0.79981878 Ta 22.56504129 25.20865944 22.36550211 -11.93091277 15.43484464 9.10016411 Ta 23.78802619 24.22277084 21.18584377 9.57284275 -5.43143786 -16.88243068 Ta 25.40955323 25.48086654 22.83050726 2.51860265 1.79473004 0.27717375 Ta 21.26959405 21.37914956 23.93745809 -3.76036641 -2.64670404 -1.04919393 Ta 22.50581744 22.44016584 25.65300231 3.39805508 0.26790027 4.22843516 Ta 24.25942807 20.95774659 24.15023703 -4.22052069 -5.09989332 -3.05025359 Ta 25.63979664 22.38825682 25.09225101 3.98316456 5.48736829 2.58408593 Ta 21.19178619 24.17895518 24.50360124 -6.70432933 -2.39940215 -4.19325853 Ta 22.53940734 25.53253581 25.64904689 3.96444786 4.28234835 3.77054219 Ta 23.78091226 24.10609294 23.96603997 1.62431102 -4.53037216 5.31590514 Ta 25.43588690 25.10378048 25.57571598 -0.20712949 -0.30333705 0.05753559