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=-19.487157941361424 pbc="F F T" C 0.06672675 -0.06582518 0.20687519 6 12.88674475 7.09297539 -2.15932341 C 1.69308539 1.24996285 0.19344375 6 -11.69469934 -7.88041416 -2.15271075 C 1.32749357 -0.17209621 1.79304173 6 -10.06184395 11.89849916 2.64169401 C 0.26681751 1.54414326 1.78883619 6 8.86979854 -11.11106039 1.67034014