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=-4.91705098253 stress="-0.6446171583305569 -0.10374724017155992 -0.08955186835119432 -0.10374724017155992 0.7488049034790993 0.37795981479101876 -0.08955186835119432 0.37795981479101876 1.4337291004215442" pbc="F F F" C 0.29140871 0.11455359 0.03253581 -0.99885970 1.32993034 2.57185738 C 1.64904689 1.28091226 0.10609294 0.86187261 -0.39666174 0.94752510 C 1.46603997 -0.19401975 1.32157598 0.57562099 0.46837317 -1.27542479 C 0.07691525 1.28944147 1.25414399 -0.43863390 -1.40164176 -2.24395769