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=83.24612653521203 stress="-161.85917143926767 -8.018451570921771 -4.583515471929464 -8.018451570921771 -99.48066708374671 17.814844668299397 -4.583515471929464 17.814844668299397 -100.43769543304234" pbc="T F F"
Ca      -0.00058651       0.09073906       0.27219963    -121.41996638   -1023.73779294   -1005.19284139 
Ca       1.43381326       1.63132919       0.25978669       2.65081823    1216.52550118   -1027.58321904 
Ca       1.40782840       0.18365717       1.70288723     -62.29462786    -938.81057880    1211.69654451 
Ca       0.08343331       1.29585403       1.44809454     181.06377601     746.02287055     821.07951592