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=-3.256839102736584 stress="-51.481140219530104 -10.273699631694539 -7.724568417040526 -10.273699631694539 -39.71620425554768 4.67560320550238 -7.724568417040526 4.67560320550238 -53.343615869421285" pbc="F F F" W 0.27219963 -0.06618674 0.13132919 -23.98043804 -20.71505458 -15.34073337 W 1.75978669 1.22592512 -0.21495266 14.39784657 20.15653326 -16.76262424 W 1.68365717 0.20288723 1.58343331 18.34286344 -10.30025270 25.40133739 W -0.20414597 1.44809454 1.72094491 -8.76027198 10.85877402 6.70202022