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=486.51302641141024 stress="-2007.2424767255325 -133.7515226297944 332.0501019525923 -133.7515226297944 -2416.6654038745655 -618.7292832295661 332.0501019525923 -618.7292832295661 -2413.3451269398906" pbc="F F F" Mc -0.28490408 -0.14052860 0.29594409 -613.11353832 -1040.01549383 -716.50991700 Mc 1.34995535 1.54760245 -0.16732573 660.55854073 379.28213471 -883.88688034 Mc 1.66756757 -0.02423699 1.59173477 530.25971542 -345.41260988 460.94038971 Mc -0.09796612 1.66493115 1.53037898 -577.70471784 1006.14596901 1139.45640763