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=-12.551534492121316 stress="0.17875310053082563 -0.044578970868661694 0.04027788132101951 -0.044578970868661694 -0.09137056810419746 0.07574024272622008 0.04027788132101951 0.07574024272622008 -0.07427798379100596" free_energy=-12.551534492121316 pbc="F F T"
C       0.05835534       0.31113062       2.70342959       1.53778951      -1.81057589       2.07664175 
C       1.40085166       1.49793547       0.28187239      -1.31705890       1.11082300      -0.43873139 
C       1.51001192       0.10170120       1.37793365      -2.03479626      -0.16392094      -0.39275180 
C       0.00082602       1.60136948       1.64302402       1.81406565       0.86367383      -1.24515855