4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=91.2062888394784 stress="-8.80507314656991 0.4989143649252763 0.40349424914652005 0.4989143649252763 -4.592899325184799 0.18013241449281883 0.40349424914652005 0.18013241449281883 -8.65958395630544" free_energy=91.2062888394784 pbc="T F T" Se 0.02103145 0.18220204 2.72188162 -9.41670136 -51.25031170 24.03234405 Se 1.73573857 1.52724172 2.87533399 -10.38610118 45.43408528 10.88871094 Se 1.20296332 0.22083292 1.55105721 20.02404650 -46.31745959 -19.81465129 Se 2.95167428 1.42299150 1.45094867 -0.22124397 52.13368601 -15.10640369