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=20.09442849562982 stress="-3.9001062675894564 0.05656615720684545 -0.06195883845082985 0.05656615720684545 -3.991195117189916 -0.010759465623477885 -0.06195883845082985 -0.010759465623477885 -3.93018470638458" free_energy=20.09442849562982 pbc="T T T" Li -0.14459490 0.11115480 0.11044915 1.61096936 -3.05093048 -1.50732862 Li 1.70960170 1.31143450 -0.16166483 -4.61112223 2.38317958 1.45348382 Li 1.28829595 -0.16490224 1.64041416 1.23102181 1.17105076 -1.94877393 Li -0.22187219 1.51878885 1.32834452 1.76913107 -0.50329987 2.00261873