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=322199.7016308098 stress="-179435.94854401035 -3273.193978052486 89325.76954558522 -3273.193978052486 -247554.6189738363 87604.36732531163 89325.76954558522 87604.36732531163 -241474.47188976352" free_energy=322199.7016308098 pbc="F T T" Nb 0.43142226 0.22079007 2.81634348 -3720946.26895807 -1593553.86321111 3736337.43632527 Nb 1.53415554 1.48566276 2.81443107 1595313.03174045 -554988.35849467 2114154.23908668 Nb 1.54376171 2.72051529 1.69273990 2656689.12012058 904355.07813417 -4551029.08432906 Nb 0.18582460 1.48467625 1.73110688 -531055.88290296 1244187.14357162 -1299462.59108290