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=9933.949159361453 stress="-2039.7606039250138 -497.0904893139617 -114.10078458106027 -497.0904893139617 -1972.3288757245723 -282.96117542990027 -114.10078458106027 -282.96117542990027 -523.726185972082" pbc="T T F" Fm -0.12404139 -0.17839948 0.16269760 19951.88804506 22860.70594043 -5550.03629686 Fm 1.73617831 1.70518696 0.10130238 -23863.43154441 -25368.53929482 -5124.77502591 Fm 1.22540120 0.08664978 1.32327010 15097.51517692 -9626.54493020 5177.18413813 Fm 0.11711869 1.32219777 1.58466976 -11185.97167757 12134.37828459 5497.62718463