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=0.4394964186580674 stress="-0.00011611030448249919 -5.0716898248761125e-05 3.528148358816171e-06 -5.0716898248761125e-05 -0.000129506118001385 -3.826921572748215e-05 3.528148358816171e-06 -3.826921572748215e-05 -0.0001346913295030807" pbc="F F F" Xe 21.03476317 21.03976186 20.91488747 -0.24320644 -0.21711528 -0.32399636 Xe 22.22837782 22.21971334 22.61062386 0.96419520 1.06517307 -0.42566349 Xe 23.81322958 20.86949260 21.14349305 0.08425987 -0.05215914 -0.05452188 Xe 25.22310950 22.79146292 22.54399449 0.89192835 -1.24291572 -0.36876547 Xe 21.24426325 24.16323693 21.15172222 -1.11697346 -1.51715412 -1.41342915 Xe 22.24468746 25.57668762 22.44294267 1.03159328 1.58929344 1.40505011 Xe 23.99736059 24.16247657 21.04608379 -1.09348263 -0.53306538 -1.26940660 Xe 25.27743147 25.36285040 22.42469207 2.19180722 2.14850450 -0.61725828 Xe 20.99938902 21.01656702 24.05116160 -0.73786792 -0.69896326 0.82273025 Xe 22.76862629 22.56685268 25.47000446 -0.38062749 0.42068796 0.33854464 Xe 23.75706678 20.82223791 24.21736997 -0.16039097 -0.89434443 -0.58979020 Xe 25.27915128 22.33132606 25.14739655 0.63047996 0.42504929 0.33996799 Xe 20.83550803 23.91351220 24.12552211 -0.24923151 -0.18220368 -0.17458268 Xe 22.47747260 25.30288466 25.27062660 -0.05440480 0.40281955 0.42772821 Xe 24.04154424 24.24754366 23.79401547 -1.85195126 -0.79372439 1.78498744 Xe 25.29272773 25.54972686 25.51737833 0.09387259 0.08011761 0.11840548