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=31258.94663670545 pbc="F T T" Cm 0.06997204 -0.02733730 0.28789368 96 -96114.69677642 -16884.80777143 -99270.42412964 Cm 1.36834186 1.57053301 -0.07009791 96 12852.29326875 -18188.37853529 -16097.88899805 Cm 1.33236581 -0.19289317 1.24845439 96 97623.36198621 1127.02178070 82424.18550984 Cm -0.03890255 1.22388562 1.44534474 96 -14360.95847854 33946.16452602 32944.12761786