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=150.8331805105991 stress="-8.595703122834013 0.03129852484551634 -0.005970776857235181 0.03129852484551634 -4.753462615417369 -0.036731894569454256 -0.005970776857235181 -0.036731894569454256 -9.195712736771705" free_energy=150.8331805105991 pbc="T F T" Sr 0.03848316 0.19178619 0.17895518 11.62996069 -46.02008249 -10.83691979 Sr 1.79140871 1.61455359 0.09583508 -15.81886846 51.88014822 -6.24982061 Sr 1.64904689 0.10609294 1.46603997 -13.92773445 -50.30983339 7.75051761 Sr -0.19401975 1.32157598 1.51361598 18.11664222 44.44976766 9.33622280