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=-0.8524180851756719 stress="0.07718395579590683 -0.004128586497498149 -0.0030835412074601298 -0.004128586497498149 0.07085191326811173 -0.0024415875203985353 -0.0030835412074601298 -0.0024415875203985353 0.046820549308306585" pbc="T T F"
user03       0.02005246       0.07940076       0.17674759       0.06268902       0.30958523       0.37419332 
user03       1.49691459       1.21083779       0.22746488      -0.11933756      -0.36803845       0.47625613 
user03       1.48707146       0.05582546       1.68480517      -0.21623117       0.30904749      -0.44364370 
user03       0.24104933       1.37811945       1.69901961       0.27287971      -0.25059426      -0.40680575