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=59.306506538846286 stress="-5.009179599199016 -0.016922432431161295 0.5001038307583897 -0.016922432431161295 -2.9175308361735635 0.3096003072883869 0.5001038307583897 0.3096003072883869 -4.665933075235015" free_energy=59.306506538846286 pbc="T F T" Li 2.95446512 0.18364777 0.21362006 21.46125129 -29.29133270 -12.70397659 Li 1.65569519 1.37564235 2.85541800 -14.39003223 30.04915962 4.67477140 Li 1.76845365 0.08972426 1.23017696 -19.05429354 -31.08305054 17.34758851 Li 2.98792116 1.50385152 1.74566581 11.98307447 30.32522362 -9.31838332