EXAMPLES/1WSe2-1.xyz

3
Lattice="3.3190066244679373 0.0 0.0 -1.6595033122339686 2.874344052118072 0.0 0.0 -0.0 18.35855280439282" Properties=species:S:1:pos:R:3 energy=-20.23394890963929 dipole="4.156834974026671 -2.399949791231153 7.96146364817403e-11" free_energy=-20.23394891305706 pbc="T T F"
W        0.00000000       0.00000000       9.17927640
Se       1.65950331       0.95811468      10.85855280
Se       1.65950331       0.95811468       7.50000000