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=20.369046957197682 stress="-2.5102855346736446 -0.041512147278149995 0.42953633496097615 -0.041512147278149995 -2.624797403288142 0.26204200717945875 0.42953633496097615 0.26204200717945875 -4.706562335370226" pbc="F F T" Ta 0.29874826 0.05835534 -0.25354363 -24.21576655 -28.32768337 1.33949697 Ta 1.48193431 1.42001865 0.20070203 29.21273510 28.37524609 -12.08857565 Ta 1.20342959 0.28187239 1.36500085 29.25310037 -29.46437605 4.37823643 Ta 0.10170120 1.37793365 1.21904386 -34.25006892 29.41681334 6.37084225