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=-12.498649201644287 stress="-1.2059599046682274 -0.5715090049872219 -0.5631941387536971 -0.5715090049872219 -1.692393473180101 0.3238713963955802 -0.5631941387536971 0.3238713963955802 -1.2450488515884341" free_energy=-12.498649201644287 pbc="T T F" C 2.70865944 2.86550211 0.22277084 17.15485031 28.28674714 -7.79057635 C 1.68584377 1.68362810 0.19581920 -29.16428943 -19.99282859 -17.52170546 C 1.64685009 0.26959405 1.67626233 -4.47018998 6.75443772 5.51162573 C 2.85402479 1.70996341 1.49207130 16.47962909 -15.04835628 19.80065607