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=166.68291294336208 stress="-9.528689095184209 0.07769694400834883 -0.19315361674304057 0.07769694400834883 -9.82950022032868 -0.1115526216043424 -0.19315361674304057 -0.1115526216043424 -9.965268487408641" pbc="T T T" Sr -0.14459490 0.11115480 0.11044915 11.04949521 -12.85801220 -2.22999404 Sr 1.70960170 1.31143450 -0.16166483 -16.61521248 14.00478961 3.03632724 Sr 1.28829595 0.03769167 1.64041416 -5.27619571 -9.05383847 -5.11697388 Sr -0.22187219 1.51878885 1.32834452 10.84191298 7.90706106 4.31064068