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=-4.403429823576292 stress="0.621128416104011 -0.1641533802659232 -0.00343742757208816 -0.1641533802659232 0.4384570609366848 0.08572385414472267 -0.00343742757208816 0.08572385414472267 0.35849432399434644" free_energy=-4.403429823576292 pbc="T F F"
C       2.78091226       0.10609294       0.19727315      -4.11661369       6.01117214       3.44910248 
C       1.55487428       1.47567541       0.06329927       3.80304180      -3.61607238       3.02469729 
C       1.43745442       0.09073906       1.77219963       0.81443395       2.09837738      -2.21795360 
C       2.93381326       1.63132919       1.55564072      -0.50086206      -4.49347714      -4.25584617