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=136.1733495294692 stress="-14.566129797266283 6.914672990414188 2.332412825890219 6.914672990414188 -14.048827543857527 0.5999699207759032 2.332412825890219 0.5999699207759032 -20.19943790449144" free_energy=136.1733495294692 pbc="T T T" U 0.24624097 0.14302402 2.85498893 -115.17820177 7.35463968 98.13585837 U 1.61042859 1.70947124 2.85512851 31.14043937 -52.46536128 46.16440054 U 1.27567134 2.91333883 1.50144273 111.17148637 -1.72310931 -117.81918043 U 2.87241235 1.32230844 1.41049160 -27.13372398 46.83383091 -26.48107847