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=10.437972000974007 stress="-0.5166862791463634 -0.20290198507827073 -0.595713535156279 -0.20290198507827073 -0.06558887781779563 0.41224287982332586 -0.595713535156279 0.41224287982332586 -0.06500353954715919" free_energy=10.437972000974007 pbc="T F F" N 2.94832183 0.29831440 0.42126883 -6.85435753 3.67194155 3.50884287 N 1.40295338 1.60338854 0.24759167 -7.32927607 5.36416838 -3.50699516 N 1.61018303 0.18843096 1.67061300 1.21522130 -4.17541554 5.11756959 N 0.29169807 1.46863002 1.44630638 12.96841230 -4.86069439 -5.11941730