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=-39.55147678064134 stress="2.509270214526584 -0.04725699399782395 -0.0041022822999678445 -0.04725699399782395 2.469872953398006 0.0027221995630706598 -0.0041022822999678445 0.0027221995630706598 2.55813925330399" pbc="T T T" B -0.22281584 0.05077450 0.09836361 -1.74917179 -1.98927068 0.17142159 B 1.38913594 1.50387043 0.13711843 -0.40690458 1.06948733 0.62433329 B 1.45319651 -0.02395479 1.59063848 0.92875121 -2.26950557 -0.53206250 B 0.07669071 1.74824674 1.60989385 1.22732516 3.18928892 -0.26369238