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=14352.483464241346 pbc="T T F" Lr 0.12839483 0.23558988 -0.19105131 103 -40077.94970235 -30030.95264612 -11731.03951987 Lr 1.42301916 1.08415487 0.07221406 103 38626.19541034 38233.12704524 393.31732443 Lr 1.76712586 -0.20356909 1.22049088 103 -20001.19700227 10960.14725148 2657.70188754 Lr -0.02081955 1.76772215 1.62408727 103 21452.95129428 -19162.32165059 8680.02030790