16 Lattice="21.0 0.0 0.0 0.0 21.0 0.0 0.0 0.0 21.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=346.32604421758504 stress="-0.08226436640903048 0.005779092516764261 -0.01298256577761594 0.005779092516764261 -0.059955910052951096 0.011202150673555022 -0.01298256577761594 0.011202150673555022 -0.09106507269153372" free_energy=346.32604421758504 pbc="F F F" N 10.77219963 10.63451529 10.63132919 -125.87844211 -22.96104110 -81.53360953 N 11.50978669 10.67935471 11.03504734 -68.06531312 -44.25382056 -36.12816819 N 12.18365717 10.70288723 10.58343331 105.53380216 -18.75222763 -126.48061072 N 12.54585403 11.09894620 11.46888038 149.67332076 29.38650701 -17.10849936 N 10.73171545 12.46377566 10.32183498 -47.90728577 10.26860534 -51.14553166 N 11.46219253 12.67485375 11.37990665 -238.30037765 426.27714932 -336.93163930 N 11.78220450 12.29279389 10.56210000 48.90447705 9.39163178 -108.15805318 N 12.88362859 12.56156281 11.42204550 59.09983540 17.16353072 -11.45455691 N 10.54852473 10.55556101 12.16185166 -43.71261475 -20.37518989 23.74316590 N 11.52964016 11.00978927 12.62719504 -25.46445435 -10.45425011 100.56058162 N 11.90911865 10.61041876 11.76735611 28.69315878 -123.04075388 118.97030803 N 12.79480569 10.84661486 12.74945491 31.48012642 -8.18339456 29.68719822 N 10.53369179 11.87254426 11.59570885 -99.34953341 1.81371945 7.80140222 N 11.03606280 12.56632703 12.50559716 -48.84269177 28.93171646 66.69128401 N 11.70178472 12.29874826 11.77290972 222.73489367 -309.66346901 351.12610810 N 12.35376607 12.54994732 12.56040955 51.40109867 34.45128667 70.36062074