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:Z:I:1:forces:R:3 energy=-5.803331920931406 pbc="T F F" C 0.11455359 0.03253581 0.14904689 6 5.03078216 3.41698789 -0.36422812 C 1.28091226 1.60609294 0.05677904 6 -6.66875499 -3.03644099 1.68466905 C 1.30598025 0.09377560 1.51361598 6 -4.71169906 1.41599821 0.77698636 C -0.01668375 1.47567541 1.56329927 6 6.34967189 -1.79654512 -2.09742729