16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-81.70692781778831 stress="-62.22390089790917 0.8910087603326815 1.1149457767552917 0.8910087603326815 -51.208953971002316 -20.153750416460596 1.1149457767552917 -20.153750416460596 -51.465278131432555" pbc="F F F" Ta -0.08129564 0.04860922 0.20118821 -0.50094705 -0.10061586 -0.40547754 Ta 1.70960170 1.31143450 1.33833517 -3.01301492 4.19172437 2.98135518 Ta 2.78829595 -0.16490224 0.14041416 2.58829997 -4.99713014 -3.60304830 Ta 4.27812781 1.79098848 1.26215777 5.47165174 -2.84193378 1.66847188 Ta -0.12320595 2.95894820 0.33392310 -2.78404472 -3.10863543 -0.79978175 Ta 1.56504129 4.20865944 1.36550211 -11.93096118 15.43482303 9.10004720 Ta 2.78802619 3.22277084 0.18584377 9.57263940 -5.43099503 -16.88272337 Ta 4.40955323 4.48086654 1.83050726 2.51878674 1.79485708 0.27708483 Ta 0.26959405 0.37914956 2.93745809 -3.76023880 -2.64658329 -1.04916826 Ta 1.50581744 1.44016584 4.65300231 3.39791888 0.26762885 4.22857985 Ta 3.25942807 -0.04225341 3.15023703 -4.22041425 -5.09975102 -3.05018370 Ta 4.63979664 1.38825682 4.09225101 3.98318750 5.48724929 2.58402732 Ta 0.19178619 3.17895518 3.50360124 -6.70405053 -2.39909556 -4.19322693 Ta 1.53940734 4.53253581 4.64904689 3.96399028 4.28233926 3.77057250 Ta 2.78091226 3.10609294 2.96603997 1.62426984 -4.53047582 5.31592653 Ta 4.43588690 4.10378048 4.57571598 -0.20707293 -0.30340597 0.05754457