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=74.20696410564105 stress="-3.484427646245367 -0.013218185268135958 -0.0072211463891902064 -0.013218185268135958 -3.442862621312191 0.02913790670522353 -0.0072211463891902064 0.02913790670522353 -1.2225426168948015" free_energy=74.20696410564105 pbc="T T F" Cs 0.21804360 -0.29134056 0.22277084 0.37800349 1.92602803 -11.67457199 Cs 1.68584377 1.68362810 0.19581920 -0.66610080 -1.27703888 -12.22684018 Cs 1.68533325 0.22734064 1.67626233 -1.02428221 0.01422690 12.70986902 Cs -0.14597521 1.62848498 1.49207130 1.31237952 -0.66321605 11.19154315