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=35.72278359233537 stress="-108.91530131414589 23.13410638345099 -7.915669133136902 23.13410638345099 -119.43067449165973 4.7951007414700655 -7.915669133136902 4.7951007414700655 -100.33917338762268" pbc="F F F" Mo -0.12320595 -0.04105180 0.20259391 -39.01592549 -26.69448451 -24.89820175 Mo 1.56504129 1.20865944 -0.13449789 28.33481581 23.08193586 -35.17253531 Mo 1.28802619 0.22277084 1.68584377 52.33782925 -57.23531605 44.24478593 Mo 0.18362810 1.69581920 1.64685009 -41.65671957 60.84786470 15.82595113