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=20.5036689593 stress="-14.193559238057956 0.7198538348992256 0.6333276959284205 0.7198538348992256 -11.606577149360119 -0.1159678844738119 0.6333276959284205 -0.1159678844738119 -15.858118200632925" pbc="F F F" Se 0.03369179 0.02598936 -0.27670350 -18.22917720 -15.53934810 -19.49544813 Se 1.46375436 1.40583543 -0.24440284 15.80305500 19.27938761 -19.13480271 Se 1.20178472 0.29874826 1.27290972 26.28789360 -23.49231541 23.26098786 Se -0.11909813 1.36136659 1.55835534 -23.86177140 19.75227590 15.36926299