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=74.1569757337 pbc="F T F" C 0.03282148 -0.22107074 0.16513684 6 -93.18143345 -155.44739173 -97.26018638 C 0.99624097 0.89302402 -0.11223393 6 48.11608361 76.08107412 -72.72380528 C 0.86042859 0.10919098 0.60512851 6 152.37013897 -59.77838639 102.30009573 C -0.07353151 0.66333883 0.59655491 6 -107.30478913 139.14470400 67.68389593