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=0.8729963647724099 stress="0.07180272402863112 -0.191407499486622 -0.047575016437601834 -0.191407499486622 -0.5387327570520821 0.17068461509099012 -0.047575016437601834 0.17068461509099012 -0.2912688989018231" free_energy=0.8729963647724099 pbc="F T F" N 0.22585473 0.29172414 0.16911338 1.54356921 3.52889506 -1.62740582 N 1.15717776 1.62365747 0.04737131 -2.25799665 -0.35703237 -3.68710822 N 1.53238783 0.24404962 1.55303231 0.16619758 3.70239451 3.72851506 N 0.12937675 1.25818085 1.59119645 0.54822986 -6.87425720 1.58599897