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=-8.30980013800671 stress="-4.201466851141399 -0.9108652154040309 0.2920723709527575 -0.9108652154040309 -3.8778840746879166 -0.514899876701089 0.2920723709527575 -0.514899876701089 -5.681420984425181" pbc="F F F" C -0.12320595 -0.04105180 0.20259391 -1.92929802 -1.69912997 -1.35317203 C 1.56504129 1.20865944 -0.13449789 1.75174928 1.06704989 -2.05017216 C 1.28802619 0.22277084 1.68584377 1.07715052 -0.98200325 1.92400118 C 0.18362810 1.69581920 1.64685009 -0.89960177 1.61408332 1.47934301