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=12070.74710209814 stress="-51318.66059132619 -23904.229851804288 -20637.75062001021 -23904.229851804288 -38761.040360629195 15649.227743080957 -20637.75062001021 15649.227743080957 -59805.357588277344" pbc="F F F"
Db       0.22692317       0.11603834       0.39360196  -50595.96547297  -23836.41214869  -30303.62375048 
Db       1.32900758       1.24064919       0.02027969   27816.06062125   27616.05996417  -10852.57734093 
Db       1.05978099      -0.05285254       1.75082004   24762.96732772   -7748.00844785   39186.66915453 
Db       0.20726523       1.72757326       1.69796917   -1983.06247599    3968.36063238    1969.53193688