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=59.6494161869 pbc="F T F" C -0.18614182 0.11032290 0.05074261 6 -78.97540179 -24.66817997 -43.62377773 C 1.03187239 0.76001192 0.13942122 6 82.63444577 127.02820145 -80.44583358 C 0.85170120 -0.06218095 0.46904386 6 36.00595541 -155.01776981 63.18608416 C 0.16513684 0.99624097 0.89302402 6 -39.66499939 52.65774833 60.88352716