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=10663.50549150829 stress="-963.1795945519644 162.1461623314102 -181.17744385394894 162.1461623314102 -1935.5505981204897 -1207.5836868517242 -181.17744385394894 -1207.5836868517242 -1857.6538686762692" pbc="F F T" Xe 0.28187239 0.01001192 -0.01546661 -5865.37685525 -4740.32628194 3294.10951328 Xe 1.60170120 1.37793365 -0.28095614 9375.21704275 35504.27525012 35398.36886487 Xe 1.55363315 0.24624097 1.64302402 10536.27439699 -40166.23987494 -32964.39973154 Xe 0.26531642 1.41192869 1.51943933 -14046.11458448 9402.29090676 -5728.07864661