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=10.472547001479654 stress="-16.12339353504666 -1.5598843307273036 0.3359550231137973 -1.5598843307273036 -13.547155975581955 -0.5686865555295979 0.3359550231137973 -0.5686865555295979 -20.6233488903173" pbc="F F F" Pb 0.03369179 0.02598936 -0.27670350 -6.12038080 -5.50311785 -6.63760114 Pb 1.46375436 1.40583543 -0.24440284 5.39524053 6.16900032 -5.88041305 Pb 1.20178472 0.29874826 1.27290972 6.44921395 -5.57499267 7.56011782 Pb -0.11909813 1.36136659 1.55835534 -5.72407368 4.90911020 4.95789637