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:forces:R:3 energy=42.31301923544981 stress="-54.305935640812464 2.8301137935379828 -0.33288451903793614 2.8301137935379828 -50.901448657343025 -2.5554033456362575 -0.33288451903793614 -2.5554033456362575 -51.80773872637219" pbc="F F F" Sr -0.14459490 0.11115480 0.11044915 -17.93568522 -19.66469764 -21.68712974 Sr 1.70960170 1.31143450 -0.16166483 17.47853680 11.18145618 -13.22293366 Sr 1.28829595 -0.16490224 1.64041416 14.52329628 -15.16862224 18.24204689 Sr -0.22187219 1.51878885 1.32834452 -14.06614786 23.65186371 16.66801651