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=26.568686445987936 stress="-1.6656162476057772 -0.255473231421457 -0.09375846012280728 -0.255473231421457 -2.359421110368458 0.1476933646679233 -0.09375846012280728 0.1476933646679233 -1.5337097280653647" pbc="F T F" Na 0.04852473 0.01848935 0.13661615 -21.08236130 -1.52785780 -18.03812222 Na 1.40480033 1.28303047 0.11041876 14.68098902 4.06477916 -15.29637834 Na 1.26735611 -0.16466555 1.24148635 21.01142421 1.25307534 18.64523198 Na 0.08611608 1.53369179 1.52598936 -14.61005193 -3.78999670 14.68926859