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=-11.435542387101409 stress="0.45814211033448704 -0.3298985380739753 0.08924972045065045 -0.3298985380739753 0.696562550450399 0.1199339017274022 0.08924972045065045 0.1199339017274022 0.5301243286367229" free_energy=-11.435542387101409 pbc="T T T" C -0.14459490 0.11115480 0.11044915 -2.76835729 8.85724615 5.19453396 C 1.70960170 1.31143450 -0.16166483 12.83097579 -7.33073524 -5.29472941 C 1.28829595 -0.16490224 1.64041416 -3.76298195 -6.59654152 7.37415429 C -0.22187219 1.51878885 1.32834452 -6.29963655 5.07003061 -7.27395884