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=-40.714305738990184 stress="0.0005755151196470638 0.00011269205291836999 9.266786001114754e-05 0.00011269205291836999 0.00040990616983256286 0.00012355432538035897 9.266786001114754e-05 0.00012355432538035897 0.0005088771096455639" free_energy=-40.714305738990184 pbc="F F F" C 20.85540510 21.11115480 21.11044915 2.07169526 2.29760749 2.58298460 C 22.56158875 22.31143450 22.33833517 -0.48875457 -4.16358484 -1.43027248 C 23.78829595 20.83509776 21.14041416 -1.06321794 3.23214363 2.87472229 C 25.27812781 22.51878885 22.30401993 -2.42106855 -0.81935156 -0.31407877 C 20.87679405 23.95894820 21.20259391 1.99716400 -0.75468089 1.40013665 C 22.56504129 25.20865944 22.36550211 -0.05938966 -2.02831983 -0.92127153 C 23.85132546 24.22277084 21.18584377 -0.25278672 0.33849636 2.20979768 C 25.68362810 25.69581920 22.64685009 -1.35661795 -1.27415969 1.04242177 C 21.26959405 21.17626233 23.85402479 2.30131806 1.87306986 -2.15071248 C 22.70996341 22.42952572 25.65300231 0.44514751 0.11233481 -2.69419992 C 24.03848316 20.95774659 23.91852158 1.44053621 2.94504319 1.19015420 C 25.45789336 22.16672540 25.27041603 -3.27835085 -1.28285201 -2.11274931 C 21.19178619 24.17895518 24.29140871 3.46764714 1.29620388 1.81614637 C 22.61455359 25.53253581 25.64904689 0.63021070 -2.82561701 -2.95368730 C 23.78091226 24.10609294 23.96603997 -0.73305881 2.02501615 1.81447680 C 25.30598025 25.32157598 25.51361598 -2.70047383 -0.97134955 -2.35386857