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=-1.1333590612512978 stress="0.10347690627669656 0.00985362520015339 -0.009479916380060904 0.00985362520015339 0.06998676019705322 0.0025521527319557684 -0.009479916380060904 0.0025521527319557684 0.07272463173299878" pbc="T F F" user15 0.26909836 0.15747475 0.09038837 0.35112651 0.94660077 0.74986265 user15 1.48522813 1.29512854 0.13807060 -0.60255501 -0.86461970 0.89806437 user15 1.75496481 0.17807234 1.36221166 -0.11294099 0.71340201 -0.71855896 user15 0.26647593 1.31502892 1.26592559 0.36436949 -0.79538308 -0.92936806