16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-20.421354534105703 stress="0.0005360489390564714 4.7120970397851826e-05 5.744279992026369e-05 4.7120970397851826e-05 0.0005205962891766121 7.495924915175274e-05 5.744279992026369e-05 7.495924915175274e-05 0.0005057149558799309" pbc="F F F" B 21.28475322 20.98341465 21.10989136 2.94184541 2.49903824 2.34451001 B 22.45587345 22.24267548 22.32995982 -1.28832286 -2.55460163 -1.37110920 B 23.82607419 20.77328590 21.07022621 -1.93474572 1.65023923 1.43814168 B 25.60537101 22.43132544 22.76767637 -1.32720788 0.56886980 0.74100350 B 20.71243667 23.79960156 20.89723558 0.99984409 -0.75003223 0.75844573 B 22.67842378 25.64553500 22.64594781 0.65859322 -2.37027235 1.45433630 B 23.92331299 24.12392946 20.78013645 -0.15056729 0.02112024 1.73321280 B 25.77652831 25.23012412 22.32823258 -1.31973788 -1.03603345 0.26344504 B 21.15055857 21.16186092 24.10385572 2.56534828 2.36727704 -0.07568769 B 22.08780676 22.72006661 25.50905275 -0.56092184 1.95779434 -4.08627607 B 23.77803768 20.75787668 24.38307652 -0.50118851 2.07252807 -0.22733257 B 25.23348799 22.55048189 25.41380054 -1.69096389 0.41534744 -1.96504468 B 21.23598149 24.19843311 24.20500540 4.69301484 -0.97069883 2.50116163 B 22.57855587 25.20693653 25.64283106 1.20951525 -3.96365676 -4.72483717 B 23.81428451 24.26838441 24.28218414 -1.96047532 2.12469325 2.68884955 B 25.23956860 25.63875033 25.34500492 -2.33402988 -2.03161239 -1.47281886