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=-0.8358211681036224 stress="0.04973882525783141 0.00034904912790686147 -0.004145061132455246 0.00034904912790686147 0.052053252102386205 -0.008381097845409722 -0.004145061132455246 -0.008381097845409722 0.08266317634804547" pbc="F F T"
user06       0.01344910       0.24152858       0.03278663       0.48604127       0.60657161      -0.33659177 
user06       1.29370017       1.63134392       0.20968273      -0.51229065      -0.46642501      -0.08555153 
user06       1.54062758       0.08489288       1.77629366      -0.55973277       0.50592701       0.08107899 
user06       0.29967662       1.29086248       1.74007601       0.58598216      -0.64607361       0.34106430