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=127.52214411707205 stress="-3.8092628659855383 0.14566943068817187 -0.09015983554904494 0.14566943068817187 -8.18851142271927 0.05036095687477942 -0.09015983554904494 0.05036095687477942 -3.88182773197795" free_energy=127.52214411707205 pbc="F T F" Sr 0.13661615 -0.09519967 0.11041876 -45.53619138 -6.50058512 -36.81649243 Sr 1.26735611 1.33533445 0.08611608 36.91603540 8.75626635 -49.16747319 Sr 1.53369179 0.02598936 1.22329650 48.35043495 -10.90609909 35.70137316 Sr 0.29874826 1.27290972 1.38090187 -39.73027897 8.65041786 50.28259246