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=1181.2729399423415 stress="-6413.8195891811065 3084.4012828093937 -1941.013112794033 3084.4012828093937 -5046.628580866092 -555.2783850251826 -1941.013112794033 -555.2783850251826 -4671.576803927053" pbc="F F F"
Ir       0.16246356      -0.11027936      -0.24805754   -1696.39370805    -863.76272924   -2658.14694914 
Ir       1.60326941       1.74038620      -0.14081317     481.89314469     466.35585633    -541.46873270 
Ir       1.29918605       0.09748027       1.23588007    4526.93164740   -2815.10505365    2500.39409029 
Ir      -0.01071441       1.37404977       1.20958829   -3312.43108404    3212.51192656     699.22159156