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=-45.20676031719443 pbc="T F F" P -0.13161891 0.24117012 -0.24520890 15 12.68638949 -5.79878766 8.77720330 P 1.51816355 1.73008317 0.01022462 15 -13.45248754 3.88697622 12.83563742 P 0.96909428 -0.22193007 1.57175580 15 4.49698701 8.13350320 -8.54680917 P 0.09030242 1.72746636 1.70313075 15 -3.73088896 -6.22169176 -13.06603156