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=-0.95467118179554 stress="0.08920650320336022 0.00016216647775963463 0.026766767446174494 0.00016216647775963463 0.03981281750446134 0.0011932030508818674 0.026766767446174494 0.0011932030508818674 0.08452741354959678" pbc="T F T" user18 0.02681906 0.05788514 0.29027596 0.32502766 0.34931503 0.29919523 user18 1.22325099 1.57856210 -0.15425222 -0.66105433 -0.35432465 -0.56442887 user18 1.35400426 0.03670040 1.39438222 -0.32288458 0.35540386 -0.27844950 user18 0.12478545 1.56648189 1.73666390 0.65891125 -0.35039423 0.54368314