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=-1.0347366943694285 stress="0.08847239391238741 0.005008562305958717 -0.0022954090805890263 0.005008562305958717 0.05634724648327359 0.001649097171249474 -0.0022954090805890263 0.001649097171249474 0.08870668909699948" pbc="T F T" user03 0.22553065 0.23580923 -0.03138210 0.50236875 0.59525873 -0.21393744 user03 1.56536655 1.29533022 -0.16810135 -0.31322585 -0.68254971 -0.29631006 user03 1.30611741 0.10146044 1.53918441 -0.29993365 0.59617006 0.29156597 user03 0.07945185 1.64696016 1.60960592 0.11079074 -0.50887908 0.21868152