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=8254.130718845397 pbc="T T F" Sg 0.26392017 0.04908503 0.07913865 106 -14925.81760528 -11462.31422879 -26075.52809745 Sg 1.64479566 1.35489708 -0.17059521 106 1621.61715259 4099.24809615 -4951.33250208 Sg 1.32363080 0.10937668 1.39541257 106 20394.24648808 -6819.11251201 20675.89962903 Sg 0.04842851 1.37644201 1.23801749 106 -7090.04603538 14182.17864465 10350.96097050