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=110.15035389324495 stress="-7.101031696761618 0.24951778599001898 -0.1443937965562496 0.24951778599001898 -3.742018811043436 0.21113663360857093 -0.1443937965562496 0.21113663360857093 -3.603363711914327" free_energy=110.15035389324495 pbc="T F F" Sr -0.06254558 0.09073906 0.27219963 -5.41772581 -39.74675757 -40.12267745 Sr 1.43381326 1.63132919 0.25978669 4.95849332 36.22822364 -33.94450941 Sr 1.22592512 0.18365717 1.70288723 13.42335564 -36.84727720 38.36154355 Sr 0.08343331 1.29585403 1.44809454 -12.96412315 40.36581112 35.70564331