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=75.8518387111 stress="-64.88567327157743 8.205381934691552 10.544916780717834 8.205381934691552 -52.9600442800855 -6.07431714111513 10.544916780717834 -6.07431714111513 -56.85630254901168" pbc="F F F" U 0.03369179 0.02598936 -0.27670350 -66.62974413 -71.02493608 -66.20589982 U 1.46375436 1.40583543 -0.24440284 72.64865458 75.80714013 -68.24638712 U 1.20178472 0.29874826 1.27290972 117.75693719 -107.55220281 57.40698341 U -0.11909813 1.36136659 1.55835534 -123.77584764 102.76999877 77.04530354