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=-3.31650477175 stress="1.3814511185950118 -0.5930267275678119 0.8930329644680439 -0.5930267275678119 2.803393764085165 -1.5521910881868004 0.8930329644680439 -1.5521910881868004 -4.411601926359898" pbc="F F F" C 0.06210000 0.13362859 -0.17297059 2.13234273 1.02659716 -7.20894611 C 1.33770040 1.54852473 0.05473499 0.32204552 -5.98751395 -2.94238794 C 1.41561068 0.13661615 1.40480033 -4.05187217 7.05901303 1.40383683 C -0.12280496 1.29869006 1.61041876 1.59748392 -2.09809624 8.74749722