2 Lattice="2.389 -2.389 0.0 -2.389 0.0 -2.389 2.389 2.389 0.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-13.090094108950133 stress="-0.025455672459540196 5.02919005810962e-18 0.0 5.02919005810962e-18 -0.025455672459540196 0.0 0.0 0.0 -0.025455672459540196" dipole="1.8219186003017958e-15 -1.9884216387946463e-15 5.370679846840929e-16" pbc="T T T" Ca 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 O 2.38900000 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000