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=28.351161739437078 stress="-2.007996326362292 -0.021620644278996858 0.08461127781254851 -0.021620644278996858 -2.0362383229960024 0.05464430836905379 0.08461127781254851 0.05464430836905379 -4.071364056900348" free_energy=28.351161739437078 pbc="F F T" W 0.20947124 0.05280714 2.81305857 -21.38509993 -23.00386018 -2.49886090 W 1.34655491 1.37241235 2.82230844 21.54078209 23.72090761 -5.74068958 W 1.41049160 0.15488783 1.55988540 23.84501783 -21.20180464 3.70350859 W 0.16431082 1.31425730 1.70657958 -24.00069999 20.48475722 4.53604189