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=-4.142239803477235 stress="-0.4098751422243946 0.05975880283865547 0.24339781863404447 0.05975880283865547 -0.32899236392555464 0.11872718247882062 0.24339781863404447 0.11872718247882062 -0.4765504493298973" free_energy=-4.142239803477235 pbc="F F T" Be 0.29874826 0.05835534 2.74645637 -4.37014331 -2.54343901 3.56929398 Be 1.48193431 1.42001865 0.20070203 3.16994533 3.12314939 -4.05118388 Be 1.20342959 0.28187239 1.51001192 6.85512890 -4.92225206 -1.52803758 Be 0.10170120 1.37793365 1.21904386 -5.65493092 4.34254169 2.00992748