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=127.42409064807647 stress="-3.8092538429644485 0.14566129826181687 -0.09015895125246916 0.14566129826181687 -8.186014614560811 0.05036023862330953 -0.09015895125246916 0.05036023862330953 -3.881818651913941" pbc="F T F" Sr 0.13661615 -0.09519967 0.11041876 -45.53608145 -6.50047921 -36.81639128 Sr 1.26735611 1.33533445 0.08611608 36.91596114 8.75610910 -49.16737278 Sr 1.53369179 0.02598936 1.22329650 48.35031035 -10.90578405 35.70128834 Sr 0.29874826 1.27290972 1.38090187 -39.73019004 8.65015416 50.28247571