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=733608.2721267072 stress="-86516.54850559824 -2665.9798491843953 18937.500277805033 -2665.9798491843953 -111820.92650907126 14415.802977645131 18937.500277805033 14415.802977645131 -129146.19840395384" pbc="F F T"
Ba       0.24326136       0.11994323      -0.19643929 -1202736.38435987 -1542169.25068775 1882314.21275338 
Ba       1.63281084       1.20194909      -0.12493796  736397.57043782 1099105.64294331  876671.74268695 
Ba       1.43741675       0.07613322       1.64652127 1034216.80322576 -1047900.91287103 -1582989.80274101 
Ba       0.10648835       1.31649600       1.71224302 -567877.98930371 1490964.52061547 -1175996.15269931