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=13588.275284667243 pbc="T F T" Sg -0.11656609 0.02908627 0.00545471 106 577.38511664 -9822.78363062 -3017.67848917 Sg 1.40740218 1.28213715 0.23849245 106 20510.13744264 16162.23931011 -29027.72267242 Sg 1.46540641 0.26151441 1.63927112 106 17194.67522035 -28363.95957271 12299.23914403 Sg 0.16731930 1.28049778 1.33530720 106 -38282.19777963 22024.50389321 19746.16201756