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=889.6366584302335 stress="-53.47612317109865 -4.067788264027505 -1.2294775018548245 -4.067788264027505 -54.53178717024737 2.6254680077068855 -1.2294775018548245 2.6254680077068855 -31.35769480943208" free_energy=889.6366584302335 pbc="T T F"
I       0.29740101       2.58736916       0.07730756     -13.91442284      20.98364283    -237.12001310 
I       1.65272691       1.15260760       0.01400128     -11.59285628      23.79098884    -332.79111664 
I       1.67230680       0.27735304       1.54311643    -112.58707446    -149.89734875     295.48461211 
I       2.74650446       1.39721455       1.50743936     138.09435358     105.12271708     274.42651764