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=-77.71191188219872 stress="-0.00048325767288251605 -2.626915678137167e-05 -4.101613294677674e-05 -2.626915678137167e-05 -0.0002495641395014436 -0.00029715454022353555 -4.101613294677674e-05 -0.00029715454022353555 -0.0003418848072606768" pbc="F F F" Ta 20.91870436 21.04860922 21.20118821 -0.35691843 -0.15457959 0.09148271 Ta 22.70960170 22.31143450 22.33833517 -3.65400695 5.83809809 3.75428396 Ta 23.78829595 20.83509776 21.14041416 1.47075900 -3.99034607 -3.67579197 Ta 25.27812781 22.51878885 22.32834452 2.61680371 2.42652695 1.55673786 Ta 20.87679405 23.95894820 21.47479353 -2.90905555 -3.30064029 -0.89681368 Ta 22.56504129 25.20865944 22.36550211 -4.01064810 9.96418066 8.84706395 Ta 23.78802619 24.22277084 21.18584377 7.50879652 -5.79362169 -8.61284259 Ta 25.68362810 25.69581920 22.58066335 -1.23939819 -1.23727848 0.80513992 Ta 21.26959405 21.30759152 24.11381148 -6.53215702 -4.67844074 -8.00307564 Ta 22.43588853 22.27711863 25.44885634 7.59877333 5.75459384 8.03222044 Ta 24.03848316 20.95774659 23.86661612 0.26077172 -1.87531090 1.45782946 Ta 25.67883827 22.38825682 25.50213148 -1.38241581 1.38607771 -1.02950106 Ta 21.19178619 24.17895518 24.29140871 -2.95735395 -1.84578476 -2.38495827 Ta 22.61455359 25.53253581 25.64904689 -0.85745496 2.43197411 2.60257257 Ta 23.78091226 24.10609294 24.14794325 1.74509394 -5.65356248 -3.17173356 Ta 25.12781522 25.53376851 25.43846973 2.69841072 0.72811364 0.62738590