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:Z:I:1:forces:R:3 energy=56.45657612428296 pbc="F T T" W -0.03624564 -0.09416457 -0.24440284 74 -94.17925873 56.84207992 35.78120160 W 1.20178472 1.79874826 -0.22709028 74 75.68055400 -102.99774180 66.77429348 W 1.38090187 -0.13863341 1.55835534 74 63.59057561 64.88583099 -76.07750679 W -0.25354363 1.48193431 1.42001865 74 -45.09187088 -18.73016911 -26.47798829