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=106519.47850182069 stress="-43829.486137864376 7040.380111835562 -9731.749975522116 7040.380111835562 -110925.5463674578 59200.022944247125 -9731.749975522116 59200.022944247125 -69275.42941832721" free_energy=106519.47850182069 pbc="T F T"
Nb       2.54514643       0.09235307       2.68737476  448112.74825181 -384834.64086427  -86449.26147743 
Nb       1.33533445       1.24148635       0.08611608 -725665.69658672 1941847.48246395 -1381176.19088357 
Nb       1.53369179       0.02598936       1.22329650 -239521.26158003 -2072528.11986516 1400355.97461893 
Nb       2.66718395       1.30668709       1.25353263  517074.20991494  515515.27826548   67269.47774207