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=19375.288725007635 pbc="F T T" Sc -0.05274455 0.18980688 0.26375776 21 -19881.32190089 -28566.09352718 -11869.55840910 Sc 1.34090691 1.40345649 0.32851507 21 29031.79221091 26433.09768532 -31439.55315653 Sc 1.70905695 0.08737901 1.50825890 21 18206.64665162 -21626.65456457 14247.75806977 Sc 0.24147914 1.22286132 1.69490839 21 -27357.11696165 23759.65040643 29061.35349586