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=4937.029645103301 pbc="T F T" Db 0.24438154 -0.13644505 -0.28677777 105 -4439.18922940 -5137.71162230 9790.31866714 Db 1.21341505 1.70092125 -0.14138404 105 8847.10158700 4214.74227760 8191.93954682 Db 1.64858491 -0.19225984 1.56183711 105 3960.42085124 -1980.34904435 -6911.92866258 Db 0.06565724 1.34186865 1.56070078 105 -8368.33320885 2903.31838906 -11070.32955138