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=0.25696414971399517 stress="-1.06146952498243 -0.06326981046222122 -0.09076435484948195 -0.06326981046222122 -0.8441278913373217 -0.15308484497142083 -0.09076435484948195 -0.15308484497142083 -0.9975034234607191" pbc="F F F" H -0.14459490 0.11115480 0.11044915 -0.02714479 -0.02017143 -0.02475180 H 1.70960170 1.31143450 1.33833517 -0.07338030 0.07878937 -0.00125894 H 2.78829595 -0.16490224 0.14041416 0.02075429 -0.10107858 -0.08743843 H 4.27812781 1.37077590 1.30401993 0.09528757 0.02236487 0.00684467 H -0.12320595 2.95894820 0.20259391 -0.04872425 -0.01785185 -0.03223716 H 1.56504129 4.20865944 1.36550211 -0.09641080 0.16927439 0.01351822 H 2.78802619 3.22277084 0.18584377 0.07784830 -0.02663761 -0.15440085 H 4.62108252 4.47428778 1.64136437 0.03801195 0.02743300 -0.00607060 H 0.26959405 0.17626233 2.85402479 -0.08091582 -0.04477266 0.01655205 H 1.55123160 1.33347829 4.65300231 0.01336870 0.02103528 0.05813193 H 2.85516453 -0.04225341 2.91852158 0.03291168 -0.08594170 0.02892521 H 4.45789336 1.38825682 4.27041603 0.02336327 0.01651567 0.01922719 H 0.19178619 3.17895518 3.29140871 -0.08030655 -0.03753891 -0.02351077 H 1.53441754 4.53253581 4.64904689 0.02550043 0.04648720 0.04886372 H 2.78091226 3.10609294 2.71000544 0.06221661 -0.05608614 0.12371584 H 4.30598025 4.32157598 4.51361598 0.01761970 0.00817909 0.01388972