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=167.36770973491178 stress="-9.553891618386562 0.07755668041258126 -0.19327291922400439 0.07755668041258126 -9.85481083446424 -0.11141172892816627 -0.19327291922400439 -0.11141172892816627 -9.990601389025267" free_energy=167.36770973491178 pbc="T T T" Sr -0.14459490 0.11115480 0.11044915 11.04977057 -12.85831141 -2.23092281 Sr 1.70960170 1.31143450 -0.16166483 -16.61572445 14.00520953 3.03683910 Sr 1.28829595 0.03769167 1.64041416 -5.27608494 -9.05350925 -5.11715591 Sr -0.22187219 1.51878885 1.32834452 10.84203881 7.90661113 4.31123962