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=-1.3611684133750126 stress="0.07759750332939203 0.0029779835151618893 -0.0017911932547276974 0.0029779835151618893 0.12330561630139958 -0.020536174370075582 -0.0017911932547276974 -0.020536174370075582 0.08651263496953535" pbc="F T F" user07 0.09104296 -0.13530213 0.29350195 0.84898737 -0.99303441 1.22859609 user07 1.22432615 1.42598237 0.07023533 -0.87961536 0.25191497 0.94382300 user07 1.36853789 -0.09656055 1.40088145 -0.93888043 -0.37778356 -0.67733720 user07 0.19535944 1.74213787 1.21321589 0.96950842 1.11890300 -1.49508189