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=1107.8203391293462 stress="-66.6219719343306 1.42036286144812 -0.22172914354068532 1.42036286144812 -61.336791950086365 -0.40340492689230445 -0.22172914354068532 -0.40340492689230445 -65.72128659676669" free_energy=1107.8203391293462 pbc="T T T" Rb 0.03715739 2.99969826 2.88854360 -105.26002613 -163.96444547 101.86473607 Rb 1.46802959 1.26614954 2.75901721 111.77613101 162.09892983 134.56105376 Rb 1.23539311 0.20020259 1.34966728 161.15754297 -203.36832657 -88.31702179 Rb 0.10470978 1.26898726 1.73034010 -167.67364785 205.23384222 -148.10876804