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=171.10616886859165 stress="-9.701343466020388 0.07697896970844344 -0.19278962384186438 0.07697896970844344 -10.000508849743609 -0.11179497411319833 -0.19278962384186438 -0.11179497411319833 -10.137249188249404" free_energy=171.10616886859165 pbc="T T T" Sr -0.14459490 0.11115480 0.11044915 11.05061017 -12.85622956 -2.22826424 Sr 1.70960170 1.31143450 -0.16166483 -16.61484146 14.00122335 3.03367044 Sr 1.28829595 0.03769167 1.64041416 -5.27864312 -9.05451921 -5.11391906 Sr -0.22187219 1.51878885 1.32834452 10.84287440 7.90952543 4.30851286