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=42.515715379906936 stress="-101.45961174378922 4.444067838207438 -6.683905754488428 4.444067838207438 -75.92822883456213 1.052137797081734 -6.683905754488428 1.052137797081734 -100.405699809514" pbc="F F F" Sm 0.04852473 0.05473499 -0.08438932 -36.71929852 -23.83847708 -42.32353872 Sm 1.63661615 1.40480033 -0.12280496 23.43237618 30.94103154 -25.16073557 Sm 1.29869006 0.11041876 1.26735611 45.83950642 -37.65007594 41.70445311 Sm -0.16466555 1.24148635 1.58611608 -32.55258409 30.54752148 25.77982118