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=-11.51951779296197 stress="0.8380457289581144 0.09624026814812162 -0.21935153598767038 0.09624026814812162 0.65414782552282 -0.048173835929255115 -0.21935153598767038 -0.048173835929255115 0.4153776148912208" free_energy=-11.51951779296197 pbc="T T F" C 2.95894820 0.20259391 0.06504129 1.36487531 3.58536306 3.26176942 C 1.20865944 1.36550211 0.22277084 -5.59832153 -4.91122169 4.05322168 C 1.68584377 0.18362810 1.69581920 -0.79280773 -3.11465173 -3.49963771 C 0.35681350 1.76959405 1.67626233 5.02625396 4.44051036 -3.81535339