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=-3.442292698214637 stress="-1.244331272053707 -0.1919216422937769 -0.19610313085379416 -0.1919216422937769 -0.9382983120742633 0.05692709720166837 -0.19610313085379416 0.05692709720166837 -1.0045086964305343" free_energy=-3.442292698214637 pbc="T F F" V 0.54076050 0.27143892 0.10338854 -4.39300082 -8.52250931 -9.58909888 V 1.74759167 1.61018303 0.18843096 0.98033617 11.43420305 -9.70360458 V 1.67061300 0.29169807 1.46863002 0.36463066 -11.00077730 10.41987350 V 2.94630638 1.53851086 1.64982991 3.04803399 8.08908355 8.87282996