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=54515.01170461385 stress="-208620.21569837668 172859.23572759755 53237.38058543787 172859.23572759755 -324076.6980080654 -23179.783491439768 53237.38058543787 -23179.783491439768 -134458.20681817102" pbc="F F F" Nb -0.05874605 -0.10840580 -0.06549243 -29867.97190434 -8608.23054451 -28738.27442742 Nb 1.58494183 1.15940198 0.03420807 26212.94544025 52897.00451719 -57258.38431020 Nb 1.20119820 -0.00143283 1.26835038 175006.13667759 -261504.27932097 14153.54978729 Nb 0.26202024 1.20359702 1.62274584 -171351.11021349 217215.50534828 71843.10895034