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=-5.063325287300671 stress="-120.34457115997381 -41.18359875857139 -22.543114575869883 -41.18359875857139 -85.53664343628975 21.91297203544184 -22.543114575869883 21.91297203544184 -126.61129998960783" pbc="F F F" W 0.27219963 -0.06618674 0.13132919 -65.37428398 -47.57584195 -32.72473434 W 1.75978669 1.22592512 -0.21495266 39.23514651 51.81140623 -43.15449072 W 1.68365717 0.20288723 1.58343331 39.42685352 -20.08046847 65.09360484 W -0.20414597 1.44809454 1.72094491 -13.28771605 15.84490419 10.78562022