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=20.859263541466042 stress="-2.735653700831341 0.6752698768494916 -0.22217815215372955 0.6752698768494916 -2.7873965241213376 -0.3031311072928358 -0.22217815215372955 -0.3031311072928358 -2.5116589890464307" free_energy=20.859263541466042 pbc="F T F" V 0.17858111 0.08352372 0.26111147 -27.34581321 -10.11600162 -33.04560696 V 1.72232616 1.47927008 0.19736496 16.73437360 7.60467960 -17.42545022 V 1.32128623 0.13856038 1.49965461 45.03172426 -28.97379708 26.72010953 V 0.27820060 1.28858747 1.67621204 -34.42028465 31.48511911 23.75094765