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=4244.466377345142 pbc="T F F" Re -0.26056110 0.19796449 -0.02347597 75 8005.11823714 -13545.28654758 -4099.10132302 Re 1.53324654 1.49157368 -0.24273680 75 -11238.38138265 12229.72963845 -4124.01381877 Re 1.09211186 -0.19718918 1.35186517 75 2437.90292259 -2079.17491612 3798.81678853 Re -0.21560065 1.58780333 1.40643334 75 795.36022292 3394.73182525 4424.29835326