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=2873.0859586547217 stress="-10416.90216156455 -1509.1968251939043 -5219.2734855389845 -1509.1968251939043 -12292.776075690144 2973.1102012589345 -5219.2734855389845 2973.1102012589345 -14681.64366874499" pbc="F F F"
Ir       0.16830479      -0.15721819       0.24177297   -6007.98026636   -3993.32756966   -7463.09265201 
Ir       1.60477967       1.31420141       0.25854923    1886.10114964    6127.16755439   -5309.76139578 
Ir       1.41510448       0.03033668       1.42667819    5646.12740567   -4882.66232782   10945.83976793 
Ir      -0.26992783       1.36812911       1.22750088   -1524.24828895    2748.82234309    1827.01427987