4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-8.710489671565075 stress="0.1478077621448986 -0.4449301064954404 -0.3703284593714089 -0.4449301064954404 0.5570275844007998 -0.4377396768463144 -0.3703284593714089 -0.4377396768463144 -0.07770990580738524" pbc="T T F" C 0.16891160 0.20259391 0.21804360 -6.11430024 -3.31288632 -10.38936596 C 1.20865944 1.36550211 0.22277084 -0.58235350 -4.86599849 9.00324902 C 1.68584377 0.18362810 1.69581920 12.08963212 -4.32732870 1.75617380 C 0.14685009 1.76959405 1.67626233 -5.39297838 12.50621351 -0.37005686