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=-1.6440250837782795 stress="-0.3562850353590472 -0.0640412035665693 0.06913907529519736 -0.0640412035665693 -0.36227374412864277 -0.065020468909635 0.06913907529519736 -0.065020468909635 -0.05423236159968066" pbc="T T T" He -0.24705295 -0.23932283 0.17871475 3.60368281 3.45769292 1.14011546 W 1.69104769 1.46850990 -0.04716377 -5.65915230 -2.45301245 1.54300351 H 0.99509499 -0.14833117 1.66033305 0.02082703 -0.30177948 -0.23254822 H -0.15371586 1.05478206 1.74339277 2.03464246 -0.70290099 -2.45057074