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=-7.21827519604 stress="-4.974328128813464 -0.0589336449213708 -0.6430262875782886 -0.0589336449213708 -4.623299941481798 0.44094774513152246 -0.6430262875782886 0.44094774513152246 -5.759221464844244" pbc="F F F" Mo -0.12320595 -0.04105180 0.20259391 -11.72662853 -7.28566059 -7.77094611 Mo 1.56504129 1.20865944 -0.13449789 7.82014083 6.99987973 -10.66186520 Mo 1.28802619 0.22277084 1.68584377 11.02685228 -10.49469266 14.28822782 Mo 0.18362810 1.69581920 1.64685009 -7.12036458 10.78047352 4.14458349