1 Lattice="1.657966 1.657966 1.657966 1.657966 -1.657966 -1.657966 -1.657966 1.657966 -1.657966" Properties=species:S:1:pos:R:3:forces:R:3 energy=-9.816484262441254 stress="-0.008622703724097859 -2.0738928074678843e-18 -1.0369464037339422e-18 -2.0738928074678843e-18 -0.008622703724097862 -2.903449930455038e-18 -1.0369464037339422e-18 -2.903449930455038e-18 -0.008622703724097857" dipole="1.00195016822827e-12 3.675718157611987e-12 2.9491747507070726e-12" pbc="T T T" Ta 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 -0.00000000