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=2.75450393749 stress="-3.7009833270132795 -0.03164573617479643 0.6293861401756505 -0.03164573617479643 -3.1257242588275598 -0.1888550093246666 0.6293861401756505 -0.1888550093246666 -3.0551125827256524" pbc="F F F" Ti -0.24440284 -0.29821528 0.29874826 -6.83512659 -6.64297779 -4.09032853 Ti 1.27290972 1.38090187 -0.13863341 8.49181570 3.02253855 -9.47718069 Ti 1.55835534 -0.25354363 1.48193431 5.50707517 -3.04969223 5.16979288 Ti -0.07998135 1.70070203 1.20342959 -7.16376428 6.67013146 8.39771634