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=-20.421354534105706 stress="39.714793796815826 3.491098454835999 4.25582216049246 3.491098454835999 38.56993787251684 5.553580851155026 4.25582216049246 5.553580851155026 37.467409651232316" pbc="F F F" B 0.28475322 -0.01658535 0.10989136 2.94184541 2.49903824 2.34451001 B 1.45587345 1.24267548 1.32995982 -1.28832286 -2.55460163 -1.37110920 B 2.82607419 -0.22671410 0.07022621 -1.93474572 1.65023923 1.43814168 B 4.60537101 1.43132544 1.76767637 -1.32720788 0.56886980 0.74100350 B -0.28756333 2.79960156 -0.10276442 0.99984409 -0.75003223 0.75844573 B 1.67842378 4.64553500 1.64594781 0.65859322 -2.37027235 1.45433630 B 2.92331299 3.12392946 -0.21986355 -0.15056729 0.02112024 1.73321280 B 4.77652831 4.23012412 1.32823258 -1.31973788 -1.03603345 0.26344504 B 0.15055857 0.16186092 3.10385572 2.56534828 2.36727704 -0.07568769 B 1.08780676 1.72006661 4.50905275 -0.56092184 1.95779434 -4.08627607 B 2.77803768 -0.24212332 3.38307652 -0.50118851 2.07252807 -0.22733257 B 4.23348799 1.55048189 4.41380054 -1.69096389 0.41534744 -1.96504468 B 0.23598149 3.19843311 3.20500540 4.69301484 -0.97069883 2.50116163 B 1.57855587 4.20693653 4.64283106 1.20951525 -3.96365676 -4.72483717 B 2.81428451 3.26838441 3.28218414 -1.96047532 2.12469325 2.68884955 B 4.23956860 4.63875033 4.34500492 -2.33402988 -2.03161239 -1.47281886