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=310799.8774928942 stress="-60557.02416680577 1141.0256583586952 15956.8389877299 1141.0256583586952 -38225.88983462555 4555.102732736321 15956.8389877299 4555.102732736321 -40800.55183705074" pbc="T T F" La 0.15660052 -0.05315564 0.28146845 521042.43988729 -99118.72613258 -635881.62276027 La 1.59530961 1.44676090 0.10887731 -23375.47539525 240482.90137635 -354529.46842388 La 1.78732331 0.09093164 1.25301952 -593414.54777817 -251324.61793132 836491.36623167 La 0.09500349 1.39992208 1.76102002 95747.58328613 109960.44268755 153919.72495248