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=-7.720161102951744 stress="-77.00408839686673 9.161264638580588 11.973388370163022 9.161264638580588 -83.95022772008319 -7.231698158178958 11.973388370163022 -7.231698158178958 -85.58676032993712" pbc="F F F" Nb -0.01563639 -0.05538286 -0.00137143 -20.73383410 -26.04832597 -24.51551075 Nb 1.46031705 1.46035175 -0.04582966 27.56650341 20.91807112 -30.51923729 Nb 1.47996599 -0.06400863 1.52268477 26.12691653 -28.65941990 20.16120570 Nb 0.06804991 1.48345331 1.53283230 -32.95958584 33.78967475 34.87354234