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=-3.8562018245860266 stress="0.0002618487203805873 -2.338809018199432e-05 -5.6110522864854945e-05 -2.338809018199432e-05 0.00019446778831443633 0.00013526283932748475 -5.6110522864854945e-05 0.00013526283932748475 0.00021338909911614257" free_energy=-3.8562018245860266 pbc="F F F" C 20.91870436 21.04860922 21.20118821 0.11172554 0.07403649 0.00308172 C 22.70960170 22.31143450 22.33833517 -0.09497067 -3.86173666 -1.10882924 C 23.78829595 20.83509776 21.14041416 -2.08011809 2.70885915 2.13150939 C 25.55032744 22.45260211 22.45967371 0.45696559 0.00802809 -0.05139099 C 21.13658074 23.95894820 21.38625107 3.08147738 2.61971946 2.25575549 C 22.56504129 25.20865944 22.36550211 1.91479852 -6.97769019 -4.51122760 C 23.78802619 24.22277084 21.18584377 -3.92461936 3.08872673 3.58370091 C 25.47948213 25.64391375 22.86779500 0.13348095 0.11721336 -0.02683917 C 21.26959405 21.40797779 23.85402479 1.59634391 0.96859016 -1.59581115 C 22.89186668 22.31390627 25.57785606 2.31763416 -1.03774660 -0.96624066 C 24.03848316 20.95774659 24.04842823 -0.25072603 1.31799032 1.81044400 C 25.24009786 22.38825682 25.55319800 -1.90760354 -0.83151821 -0.43343697 C 21.25388619 24.17895518 24.29140871 0.79398594 1.14898343 1.00393186 C 22.61455359 25.53253581 25.64904689 -0.91876896 -0.97946422 -1.02539972 C 23.78091226 24.10609294 23.96603997 -1.32312489 1.55128621 -1.18604018 C 25.43960884 25.14860539 25.58396028 0.09351954 0.08472248 0.11679230