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=54.563460974537314 stress="-5.0434457743651855 -0.13630658630825213 -0.05386175926343785 -0.13630658630825213 -5.690416908262957 -0.011074438775437057 -0.05386175926343785 -0.011074438775437057 -3.6414873596483535" free_energy=54.563460974537314 pbc="T T F" W -0.04716377 -0.17840795 0.01229390 -12.06009358 -5.99850019 -31.39759226 W 1.34628414 1.28570987 0.24339277 13.05275152 6.75542321 -33.42841622 W 1.21156333 -0.05162585 1.65093924 10.36657507 -4.60751233 32.83089518 W 0.14803915 1.19005216 1.64526935 -11.35923300 3.85058931 31.99511331