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=0.25696414971399517 stress="-1.4327145083986991e-05 -8.539818926441645e-07 -1.2250884738349322e-06 -8.539818926441645e-07 -1.1393584539160459e-05 -2.0662569508074248e-06 -1.2250884738349322e-06 -2.0662569508074248e-06 -1.346376502889427e-05" pbc="F F F" H 20.85540510 21.11115480 21.11044915 -0.02714479 -0.02017143 -0.02475180 H 22.70960170 22.31143450 22.33833517 -0.07338030 0.07878937 -0.00125894 H 23.78829595 20.83509776 21.14041416 0.02075429 -0.10107858 -0.08743843 H 25.27812781 22.37077590 22.30401993 0.09528757 0.02236487 0.00684467 H 20.87679405 23.95894820 21.20259391 -0.04872425 -0.01785185 -0.03223716 H 22.56504129 25.20865944 22.36550211 -0.09641080 0.16927439 0.01351822 H 23.78802619 24.22277084 21.18584377 0.07784830 -0.02663761 -0.15440085 H 25.62108252 25.47428778 22.64136437 0.03801195 0.02743300 -0.00607060 H 21.26959405 21.17626233 23.85402479 -0.08091582 -0.04477266 0.01655205 H 22.55123160 22.33347829 25.65300231 0.01336870 0.02103528 0.05813193 H 23.85516453 20.95774659 23.91852158 0.03291168 -0.08594170 0.02892521 H 25.45789336 22.38825682 25.27041603 0.02336327 0.01651567 0.01922719 H 21.19178619 24.17895518 24.29140871 -0.08030655 -0.03753891 -0.02351077 H 22.53441754 25.53253581 25.64904689 0.02550043 0.04648720 0.04886372 H 23.78091226 24.10609294 23.71000544 0.06221661 -0.05608614 0.12371584 H 25.30598025 25.32157598 25.51361598 0.01761970 0.00817909 0.01388972