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:Z:I:1:forces:R:3 energy=21706.371811937137 pbc="T F F" Lr 0.33579771 0.18991547 0.05072937 103 -70460.04504704 -88235.53565472 -19495.65330141 Lr 1.24701067 1.34689924 0.24371967 103 76570.87906604 98818.24268603 -18530.24131573 Lr 1.58292402 0.26563588 1.48298711 103 9430.78118611 -18581.60555089 19887.66972359 Lr 0.19190846 1.53251148 1.54614882 103 -15541.61520512 7998.89851958 18138.22489354