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=14.674489598933755 stress="-3.539470409811063 0.05516050513138286 -0.32157273467645986 0.05516050513138286 -3.709230256344205 -0.3920719875478223 -0.32157273467645986 -0.3920719875478223 -2.7142380066423604" free_energy=14.674489598933755 pbc="T T F" W 2.81297298 0.41255731 0.06504129 -2.76844819 -11.39720507 -26.66991016 W 1.20073073 1.51850442 0.22277084 -2.88148021 5.33134394 -20.53117310 W 1.72432693 0.18362810 1.69581920 1.72192882 -1.45264041 24.10537827 W 0.33863628 1.76959405 1.67626233 3.92799958 7.51850154 23.09570498