3
Lattice="-3.472509 0.0 0.0 -1.736254 -2.997236 0.0 1.736254 0.0 11.902587" Properties=species:S:1:pos:R:3:forces:R:3 energy=-19.29427421069906 stress="-0.0007434035924694537 -2.158353664654238e-05 2.3229937358968934e-06 -2.158353664654238e-05 -0.0016572163033407653 3.905551862507302e-08 2.3229937358968934e-06 3.905551862507302e-08 0.0001090634081785199" dipole="4.574342618922327 4.551055069712287 -1.086319762407887e-05" pbc="T T T"
Se      -1.73625000      -1.48682000       1.67914000      -0.00049184      -0.01344345      -0.00407061
Se       0.00000000      -1.48682000      10.22344000      -0.00056340      -0.01344367       0.00414056
Ta      -3.47251000      -0.49116000       0.00000000       0.00105733       0.02686146      -0.00007082