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=-1.3657124969638899 stress="-1.024294924339633 0.887904833702092 -0.02489589058789355 0.887904833702092 -0.8168388284442674 -0.24489769402997721 -0.02489589058789355 -0.24489769402997721 -2.2154703844705885" free_energy=-1.3657124969638899 pbc="T T F" C 2.87679405 2.95894820 0.20259391 14.12499482 -7.87276303 -23.13849523 C 1.56504129 1.06268422 0.22277084 -14.78423774 3.51027617 -17.34500563 C 1.89580717 0.33663041 1.69581920 -0.05194225 5.75513762 25.99684217 C 0.14685009 1.76959405 1.67626233 0.71118516 -1.39265076 14.48665869