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:Z:I:1:forces:R:3 energy=21727.77689571582 pbc="F T F" U -0.10166374 0.01944430 -0.01700832 92 -15743.39633839 -33607.00098223 -45602.28796995 U 1.49193439 1.62793292 -0.14504410 92 9948.30371313 9618.44105171 -25491.39530252 U 1.68897140 0.25632742 1.20668588 92 30039.86716469 -23483.48003058 20074.04093584 U 0.05860007 1.22860337 1.30232862 92 -24244.77453943 47472.03996111 51019.64233664