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=-23.60724655889922 stress="-0.0006094630877178103 6.85065876671705e-05 4.201018254870875e-05 6.85065876671705e-05 -0.0003679897192891004 2.8559162895867523e-05 4.201018254870875e-05 2.8559162895867523e-05 -0.00043304829421420406" free_energy=-23.60724655889922 pbc="F F F" As 20.85540510 20.96314185 21.17374842 -0.54618572 0.02351181 0.58201233 As 22.70960170 22.31143450 22.33833517 -4.69907444 -0.98121156 0.76067540 As 23.78829595 20.83509776 21.14041416 0.83816942 -1.91386657 -2.38412762 As 25.27812781 22.45624327 22.10681310 4.68520891 -0.36264694 0.28707010 As 20.87679405 23.95894820 21.19710819 -1.90171376 -0.57199116 -0.32093534 As 22.56504129 25.20865944 22.20677031 -5.23343274 6.77077081 -0.69096224 As 23.78802619 24.06417784 21.18584377 4.83405798 0.44214172 -6.80206240 As 25.50030947 25.61568315 22.64685009 0.84717296 -0.08707457 -0.13839957 As 21.26959405 20.92022780 23.85402479 -1.10886538 -0.49534026 0.32126872 As 22.70996341 22.49207130 25.65300231 -0.79718859 -1.22618665 0.00320791 As 24.03848316 20.95774659 23.91852158 1.30511562 -1.30106605 2.88453077 As 25.54863242 22.66045644 25.20422929 0.40655963 -0.48368511 0.43115075 As 21.19178619 24.31028438 24.29140871 -2.36416326 -0.63107966 1.30974400 As 22.61455359 25.53253581 25.64904689 -2.84174394 2.12069481 2.02539435 As 23.78091226 24.36587963 23.96603997 3.38262171 -1.85416780 -0.31949228 As 25.03190537 25.10662332 25.59704929 3.19346160 0.55119718 2.05092514