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=-33.75897869061154 stress="0.375346976062627 -0.14227264718459556 0.06770728989171003 -0.14227264718459556 0.27153817450012324 -0.1318225009415863 0.06770728989171003 -0.1318225009415863 0.3437082715070898" pbc="T F T" He -0.02713042 0.31301668 0.15070150 0.51254931 0.96004467 -0.32305439 H 1.44125040 1.72475079 -0.22072001 -0.62386281 -2.52840304 3.09085864 W 1.77544140 0.28148913 1.55210001 -3.08168915 4.07693028 -2.16541672 H -0.03135499 1.76147517 1.35113006 3.19300264 -2.50857191 -0.60238753