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=-0.6410209781375875 stress="0.04469739050131691 -0.00023998511182791286 -0.013508150821195964 -0.00023998511182791286 0.037608932661308096 -0.0023544075913667565 -0.013508150821195964 -0.0023544075913667565 0.06128244328420133" pbc="F F T"
user03       0.19855054       0.14043655      -0.09668005       0.40865980       0.34998344      -0.07157391 
user03       1.53419583       1.53374932       0.24217002      -0.51311962      -0.35430816       0.25081705 
user03       1.54434097       0.07206628       1.58194822      -0.39481307       0.36169182       0.02507763 
user03       0.21828307       1.53130365       1.40729030       0.49927289      -0.35736709      -0.20432076