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=74960.51611444466 stress="-87708.17428967645 -7820.0167318688145 37068.02340703968 -7820.0167318688145 -36877.79932425478 -18778.996474558662 37068.02340703968 -18778.996474558662 -34184.25388596269" free_energy=74960.51611444466 pbc="T T F"
Nb       2.95774659       2.91852158       0.26213048 1640998.82552819   21057.56689454 -871871.04069521 
Nb       1.67895518       1.79140871       0.11455359 -491850.72311808 -489583.40370082 -101745.79326948 
Nb       1.58106055       0.20378189       1.19652294 -1124214.14512291  243372.89447030  840212.87860506 
Nb       0.24270909       1.37084031       1.18317529  -24933.95728719  225152.94233598  133403.95535964