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=-0.6918811299973482 stress="0.044433316527710924 0.0015244048017781227 -0.0051789949478235385 0.0015244048017781227 0.0654697746479348 0.004946037260375085 -0.0051789949478235385 0.004946037260375085 0.044287666298308465" pbc="F T F" user03 0.19818204 0.23800894 0.15863822 0.34181776 0.24901427 0.47981523 user03 1.62119816 1.59349321 0.16051282 -0.56326175 -0.10283134 0.48371766 user03 1.68163239 0.19323651 1.63451959 -0.29924422 0.08456217 -0.33237007 user03 0.28603682 1.58343818 1.27742239 0.52068821 -0.23074511 -0.63116283