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=-11.355902305906351 stress="-67.85853903181858 21.430003271837936 -19.016983495149944 21.430003271837936 -88.71537692520967 -35.22603334256175 -19.016983495149944 -35.22603334256175 -81.15068156871172" pbc="F F F" Mt -0.29985959 -0.23315164 0.07261488 -17.82504884 -33.23464183 -40.66702476 Mt 1.44375810 1.53278630 -0.17534185 4.07984313 10.32528382 -9.42618328 Mt 1.49246763 -0.10899372 1.61199409 33.92320210 -22.07162939 19.73269254 Mt -0.29705326 1.39469022 1.66801926 -20.17799639 44.98098739 30.36051550