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=6861.274555527435 pbc="T T T" Kr 0.24177297 0.16379789 0.00497954 36 -46137.26766609 -21429.01586637 -23760.74659596 Kr 0.90343060 0.66510448 -0.12376830 36 38450.73031306 29320.16252946 -7738.21797596 Kr 0.67667819 -0.26992783 0.61812911 36 15937.00559455 -16271.28381356 22721.80920588 Kr -0.27249912 0.69098179 0.55922187 36 -8250.46824152 8380.13715047 8777.15536604