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=-6.370991326595562 stress="0.03785504500832705 -0.058756729127128156 -0.31632863591397786 -0.058756729127128156 0.17087080819939116 -0.3871432315670507 -0.31632863591397786 -0.3871432315670507 0.4065875578588455" free_energy=-6.370991326595562 pbc="F F T" C 0.05835534 0.20070203 2.70342959 0.26278590 0.12438837 -7.24819717 C 1.40085166 1.49793547 0.28187239 0.46432429 -1.61558606 6.89455146 C 1.36500085 0.10170120 1.37793365 -1.28173971 2.93238516 -0.58524101 C 0.11125461 1.74624097 1.64302402 0.55462952 -1.44118747 0.93888672