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=41282.39113259748 stress="-8443.916723121763 -239.26886539606676 3408.7445647329714 -239.26886539606676 -4655.7865720192685 -1754.2890801904616 3408.7445647329714 -1754.2890801904616 -5656.23582813651" pbc="T T F" Cm 0.04311065 0.07854356 0.08320015 -33134.57508403 -52953.17059489 -38020.80009461 Cm 1.40298248 1.11914528 0.28630924 142365.73782170 12710.51163690 -101964.20776159 Cm 1.23139639 -0.16411419 1.67074470 18155.88386138 -6146.41721741 21469.46090077 Cm 0.20508399 1.34755118 1.25894884 -127387.04659904 46389.07617540 118515.54695544