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=2.6835247332439773 stress="-9.884402783241093 -1.2244830906230284 1.2807966243538589 -1.2244830906230284 -8.794306210061986 0.484076224262286 1.2807966243538589 0.484076224262286 -9.094953860590586" pbc="F F F" Cd -0.17769156 -0.08950840 -0.27713580 -2.86105502 -2.88740872 -2.10906193 Cd 1.43858073 1.25205420 0.15488783 4.80281900 3.86863869 -3.58130143 Cd 1.55988540 -0.29754255 1.66431082 1.20650332 -2.88503056 2.60844538 Cd -0.18574270 1.48844065 1.53277713 -3.14826729 1.90380060 3.08191799