8 Lattice="4.062067 0.0 0.0 -2.031034 3.517832 0.0 0.0 0.0 17.158369" Properties=species:S:1:pos:R:3:forces:R:3 energy=-29.259627635753432 stress="-0.003510396036287066 -3.580621184409035e-05 6.224031411038574e-10 -3.580621184409035e-05 -0.0035514973427823913 -3.540499502017639e-10 6.224031411038574e-10 -3.540499502017639e-10 -0.004157498497335614" dipole="-3.493046178426695e-05 -2.3284261926225425e-05 3.947558291716741e-06" pbc="T T T" In 0.00000000 2.34521000 2.88452000 -0.00170075 0.00104697 0.00448228 In 0.00000000 2.34521000 5.69466000 -0.00170071 0.00104694 -0.00416414 In 2.03103000 1.17262000 11.46371000 0.00170071 -0.00104694 0.00416413 In 2.03103000 1.17262000 14.27385000 0.00170075 -0.00104697 -0.00448228 Se 2.03103000 1.17262000 1.60731000 0.00175076 -0.00107558 0.02268173 Se 2.03103000 1.17262000 6.97188000 0.00175075 -0.00107557 -0.02295492 Se 0.00000000 2.34521000 10.18649000 -0.00175075 0.00107557 0.02295493 Se 0.00000000 2.34521000 15.55106000 -0.00175076 0.00107558 -0.02268173