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=-5.647187055564322 stress="-28.596791108801014 2.068701266547333 -5.208234486479318 2.068701266547333 -39.98754277021898 -14.702821519638535 -5.208234486479318 -14.702821519638535 -37.03551241196022" pbc="F F F" Nb -0.14459490 0.11115480 0.11044915 -11.22141317 -20.54657611 -22.19933124 Nb 1.70960170 1.31143450 -0.16166483 7.70026016 5.41059894 -4.53555031 Nb 1.28829595 -0.16490224 1.64041416 9.66190430 -7.23849749 10.38562199 Nb -0.22187219 1.51878885 1.32834452 -6.14075129 22.37447466 16.34925956