4 Lattice="3.910804474303939 -5.270993709512701e-18 0.0 -1.2971559746560764e-17 3.910048372720841 0.0 3.8046533202309803e-17 0.0 17.887069959999994" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-27.967835241238554 dipole="4.41850176353804e-08 -0.004296564776651705 -4.479370458636753e-06" free_energy=-27.97806886558148 pbc="T T F" Ta 0.00000000 0.00016451 8.94352001 0.00000000 Se -0.00000000 1.95412251 10.79692067 0.00000000 Ta 1.95540224 1.95489909 8.94349849 0.00000000 Se 0.00000000 1.95505063 7.09022948 0.00000000