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=2.18655680797 stress="-6.480057370535489 -0.41152153125951624 -0.0967070762000718 -0.41152153125951624 -7.657021845619394 -0.1649432142060739 -0.0967070762000718 -0.1649432142060739 -7.511141842977113" pbc="F F F" Ta -0.23283931 0.19410236 -0.16903503 -15.41243191 -12.23379723 -10.91941240 Ta 1.38201197 1.43300593 -0.27997518 15.36814830 8.71375561 -14.45216506 Ta 1.27696427 -0.08338442 1.46512192 9.01889959 -12.85010499 11.61848588 Ta 0.22586561 1.79391194 1.22614529 -8.97461598 16.37014661 13.75309158