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=71.7389849270317 stress="-139.74251335373947 7.4659589549551555 -2.744260816429829 7.4659589549551555 -136.94217479333545 -5.248132789509924 -2.744260816429829 -5.248132789509924 -149.8236795665059" pbc="F F F" S -0.04539058 0.07327937 0.19989723 -47.03781161 -45.19778964 -59.71969068 S 1.62961200 1.37425859 0.15720406 47.79629142 36.01315606 -36.90587855 S 1.26564846 -0.11492400 1.79768454 46.53862245 -53.04062338 48.20587056 S -0.01726309 1.36065667 1.67089611 -47.29710226 62.22525696 48.41969867