4 Lattice="4.476881791871135 -1.2053564333403486e-19 0.0 -1.3901507848352337e-18 4.476881829860631 0.0 2.0115328296496538e-18 0.0 18.40654762" Properties=species:S:1:pos:R:3 energy=-25.095261230231372 dipole="-8.59371792048178e-15 -2.2460045162819993e-15 -6.341131641721892e-11" free_energy=-25.109053400872384 pbc="T T F" Zr 0.00000000 0.00000000 9.20327382 Zr 2.23844090 2.23844091 9.20327379 Se -0.00000000 2.23844091 7.72248265 Se 2.23844090 -0.00000000 10.68406496