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=-10.79556851246489 stress="0.7619201351027445 -0.04079864307130226 -0.3115628725684966 -0.04079864307130226 0.6612712369508783 -0.3146607331662949 -0.3115628725684966 -0.3146607331662949 0.566045194480426" free_energy=-10.79556851246489 pbc="T T F" C -0.12320595 -0.04105180 0.20259391 -5.54023784 2.21646324 5.10585467 C 1.56504129 1.20865944 0.22277084 -0.17634910 -8.12568650 5.27166039 C 1.68584377 0.03765289 1.69581920 -0.43959410 -2.47706610 -4.93797949 C 0.35681350 1.76959405 1.67626233 6.15618104 8.38628936 -5.43953558