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=-0.041743050335348246 stress="0.008958256225576914 -2.3939591973824275e-05 -0.00030737887081101447 -2.3939591973824275e-05 0.009302691828880043 0.0003881037415702819 -0.00030737887081101447 0.0003881037415702819 0.008491786651445093" pbc="T T T" H 0.04343646 -0.22250580 0.28960211 0.01386982 -0.01553357 0.03304185 H 1.39961501 1.44441329 0.19330643 -0.02659887 0.03672889 0.00793406 H 1.57779487 -0.20128695 1.53249429 0.01624527 -0.00608136 -0.05106846 H -0.05474197 1.20637303 1.79674386 -0.00351622 -0.01511397 0.01009254