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=633111.8122638171 stress="-35877.65839542454 -2056.7913200238927 -2553.2707409226828 -2056.7913200238927 -138866.73643669585 15066.58320530037 -2553.2707409226828 15066.58320530037 -107431.16206704313" pbc="F T T" Cs 0.24182272 0.09711737 0.21893472 -358817.00890035 -647864.62905849 -631240.01403246 Cs 1.41323917 1.67184781 -0.28135228 336069.94142301 -1308952.06926465 1257286.55354871 Cs 1.52736211 -0.05187593 1.73544613 456464.99945040 1220383.66694511 -1102107.96729975 Cs 0.26899434 1.35417779 1.33524035 -433717.93197306 736433.03137803 476061.42778350