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=104787.55186360568 stress="-543088.1647017638 -222000.67024010269 -107796.2376532769 -222000.67024010269 -407140.83468488394 66176.18016019402 -107796.2376532769 66176.18016019402 -315779.47876709537" pbc="F F F" Pa 0.07788674 0.24875231 -0.13591635 -317462.58387939 -257708.42269816 -95986.73372443 Pa 1.32449405 1.24857777 0.18184346 301325.86305877 368359.08230917 -101596.52250237 Pa 1.49961575 0.29765068 1.59971277 107108.33960629 -160938.17591058 168334.41757800 Pa -0.08891372 1.17772361 1.77515622 -90971.61878567 50287.51629957 29248.83864881