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:Z:I:1:forces:R:3 energy=2006.5355532703106 pbc="T F F"
At       0.27666978       0.27925960      -0.10132217       85   -5473.83189304   -6225.75443037   -2019.34136225 
At       1.52498372       1.45903020      -0.25197238       85    5014.17814190    5321.15885130   -1305.64111446 
At       1.45375095       0.06683225       1.43927127       85    1904.58891942   -1925.45311405    1425.88133847 
At       0.17093812       1.46777718       1.37633299       85   -1444.93516827    2830.04869312    1899.10113824