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=4005.255357468685 pbc="F F T" Re -0.07376123 0.27037500 0.10076864 75 -6255.50611278 -9292.91204506 4510.60181767 Re 1.56122565 1.37635323 0.23629248 75 5034.51718077 4620.25581799 535.81392528 Re 1.41368249 -0.09151227 1.79658037 75 3395.22145205 -4183.74860393 -2221.73427135 Re -0.03008163 1.47611896 1.66696149 75 -2174.23252004 8856.40483099 -2824.68147160