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=4.019687738407306 stress="-46.85456649502591 -1.82966306309243 -0.6170329419340383 -1.82966306309243 -46.49330268329177 -2.3841654041138582 -0.6170329419340383 -2.3841654041138582 -47.1138849518904" pbc="F F F" Ta 0.26959405 0.17626233 -0.14597521 -13.84555598 -18.00879787 -22.91443344 Ta 1.70996341 1.49207130 0.15300231 18.56173093 18.58692480 -10.87011130 Ta 1.53848316 -0.04225341 1.41852158 11.79862296 -15.89443161 16.95865307 Ta -0.04210664 1.38825682 1.27041603 -16.51479791 15.31630468 16.82589168