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=-1.425565961159232 stress="-0.45837455370472785 -0.050413078507264224 -0.016670647067488557 -0.050413078507264224 -0.4806228060748668 0.08471637893951484 -0.016670647067488557 0.08471637893951484 -0.5187842595623364" pbc="F T T" H 0.07034430 0.04852473 0.01848935 -4.14602931 0.98650130 0.98177925 H 1.41561068 1.63661615 -0.09519967 4.36138915 -4.20288687 3.81490093 H 1.37719504 -0.20130994 1.61041876 5.04405969 5.39426915 -3.56778977 H 0.08611608 1.53369179 1.52598936 -5.25941953 -2.17788358 -1.22889041