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=95.85558547763121 stress="-18.02154591079446 -6.844080361116526 0.4434108937101863 -6.844080361116526 -16.245493993255295 -0.28813576667110397 0.4434108937101863 -0.28813576667110397 -10.69702873925895" pbc="T F F" Cd 0.26285816 0.22452218 0.11525694 -248.95911030 -255.59905476 -113.32797441 Cd 1.27648781 1.45279731 0.28385989 307.54593619 282.58984024 -138.54745172 Cd 1.46765533 0.11133563 1.40220523 65.48908070 -81.99120767 123.52826120 Cd -0.02242215 1.71996458 1.30893194 -124.07590660 55.00042218 128.34716492