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=457887.1027634714 stress="-57587.19692598473 16684.680794677715 -13483.947764644516 16684.680794677715 -76485.85703430332 -24376.83366932394 -13483.947764644516 -24376.83366932394 -70790.8083896014" pbc="F T F" Ac 0.11041876 -0.03194186 0.08611608 -695128.58873996 -81167.44523680 -882774.08386234 Ac 1.53369179 1.52598936 0.29874826 432383.20342915 -482844.40354071 -694358.37591578 Ac 1.27290972 -0.11909813 1.36136659 784760.57644859 219090.57967381 1181041.44394218 Ac 0.05835534 1.24645637 1.48193431 -522015.19113777 344921.26910370 396091.01583594