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=63.9718617086699 stress="-7.437955212121 0.15080899552575755 -0.9265824819801888 0.15080899552575755 -4.77840251461676 -0.7005379942008865 -0.9265824819801888 -0.7005379942008865 -7.608079381470433" free_energy=63.9718617086699 pbc="T F T" Si 2.77538150 0.22083292 2.78984966 13.43648961 -58.77274469 30.45884602 Si 1.45167428 1.42299150 2.90698366 7.08884744 42.73657864 37.18205174 Si 1.68107110 0.13102478 1.59995250 -10.07058211 -41.23096556 -44.56999878 Si 0.26120756 1.51193751 1.75226748 -10.45475494 57.26713162 -23.07089897