16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-92.25590952364577 stress="-35.85068543402945 -1.9828823886118663 8.949565355961617 -1.9828823886118663 -25.241006908616725 13.621079881381505 8.949565355961617 13.621079881381505 -40.905690331633124" pbc="F F F" W 0.23620268 -0.22153142 -0.12458385 -4.71209207 -3.42770859 -2.55713541 W 1.34126820 1.34140700 1.31668137 8.37818288 -2.74773294 10.31781251 W 2.78123054 -0.19767919 -0.16280457 2.81336976 0.94313393 0.86823277 W 4.77219963 1.43381326 1.61326350 -1.71733509 1.54922174 -0.06659612 W 0.25978669 2.72592512 -0.21495266 -4.88135504 4.86224134 -5.54140482 W 1.60367582 4.70288723 1.58343331 -2.39432118 3.77719160 3.68835624 W 2.79585403 3.14879657 0.22094491 5.66984852 -4.47795468 -4.06489846 W 4.73171545 4.68190327 1.32183498 -1.51260954 -2.07058554 1.63729970 W 0.11304419 -0.07514625 3.12784212 0.70351720 0.34277287 -0.60108779 W 1.56407689 1.78278197 4.56210000 -11.27806695 -12.40643352 17.95939624 W 3.13362859 -0.16295867 3.05487769 -1.47235770 0.61443132 -1.26459072 W 4.54852473 1.65643619 4.41561068 3.69869914 -1.91702008 2.72495654 W 0.13661615 2.90480033 2.87719504 -5.68569722 0.30907009 -3.38363663 W 1.29869006 4.61041876 4.26735611 2.73062999 2.11844536 2.17854167 W 2.83533445 2.74148635 3.08611608 11.01211565 12.94569747 -20.78857123 W 4.53369179 4.40392301 4.22329650 -1.35252836 -0.41477037 -1.10667449