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=22988.006734325918 stress="-1985.395536900165 -79.8672847474845 1128.6969879149417 -79.8672847474845 -4212.8386928747095 -2503.409046682145 1128.6969879149417 -2503.409046682145 -4398.784059409883" pbc="T T T"
Mc       0.12876726       0.27642012      -0.04360452    6689.66947085  -76615.77090220  -69307.49857060 
Mc       1.41946736       1.43638613      -0.29921436    9571.72077684   15907.14120974    4316.47807056 
Mc       1.61538139      -0.03811196       1.58558771   -5700.74286534  -10009.79541011   -7838.84583786 
Mc      -0.17382640       1.25035629       1.12143337  -10560.64738235   70718.42510257   72829.86633790