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=773.9678020399631 stress="-3980.059195201071 -1325.4366139678978 -1170.077459397552 -1325.4366139678978 -3313.8192144191153 96.23523882991378 -1170.077459397552 96.23523882991378 -3596.929685922537" pbc="F F F"
Ir       0.23869687       0.09726253       0.24368247   -2728.55380136   -1935.94009164   -1833.19163869 
Ir       1.59179748       1.40871614      -0.12390655    1606.50975692    1466.35232760    -579.11232904 
Ir       1.43130037      -0.09253954       1.72606892    1431.96062822    -337.23040958    1801.09361778 
Ir      -0.07922290       1.74169640       1.41208149    -309.91658378     806.81817361     611.21034994