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=38273.639696549646 pbc="T T F" Cm -0.20722127 -0.07912069 0.19828836 96 34088.68203277 -33268.18741399 -31399.95332868 Cm 1.64863700 1.21774785 0.27245932 96 -40856.39840994 86452.54260264 -111571.00455211 Cm 1.60660676 0.26826519 1.56200921 96 -18037.41584628 -74947.88179874 105163.91358358 Cm 0.06324780 1.39313458 1.29834557 96 24805.13222346 21763.52661009 37807.04429721