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=52.39111637606478 stress="-6.913603473098364 -0.5798101574271877 0.02109686664772598 -0.5798101574271877 -3.2406406934707173 0.15084093448575192 0.02109686664772598 0.15084093448575192 -3.674261324982435" free_energy=52.39111637606478 pbc="T F F" Te 0.28148913 0.05210001 0.26147517 -4.66440477 -32.17385337 -31.05336186 Cd 1.50736779 1.50505582 0.17858111 4.63279139 32.40312698 -35.44112229 Se 1.58352372 0.26111147 1.72232616 -9.25347800 -42.36444281 31.58717527 Cd 2.97927008 1.22147108 1.69736496 9.28509137 42.13516920 34.90730888