16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=23.65388963409648 stress="-0.0037946032910508914 -0.0015691814829863406 0.0013524565598873176 -0.0015691814829863406 -0.0034658131223775997 0.0014565314299426395 0.0013524565598873176 0.0014565314299426395 -0.003946035487538276" free_energy=23.65388963409648 pbc="F F F" U 21.11490714 21.04696742 20.76561014 -1.59355479 -2.47678144 -3.96984255 U 22.57034430 22.30057893 22.70962282 0.95324266 19.77808669 -24.32004095 U 23.97549609 21.30092697 20.90480033 0.27864677 -10.04253662 -14.54125655 U 25.37719504 22.29869006 22.61041876 44.03990327 24.01047167 -23.70596893 U 20.80013324 23.73505419 20.95962528 -2.62028103 2.02984595 -2.34168082 U 22.58611608 25.53369179 22.29315005 -8.49473889 5.09478914 -0.66912688 U 23.91739885 23.79471933 20.90583543 -0.28133869 4.63077255 -11.67948177 U 25.25559716 25.20178472 22.79874826 80.76444302 78.86524754 -83.37055028 U 20.99877533 21.17481381 23.58751189 -25.87808212 -25.24198728 10.28383668 U 22.57938679 22.02406993 25.48193431 -0.71473400 -2.30467072 15.05825068 U 24.10222069 21.20070203 23.70342959 -13.86872449 -42.31811457 39.65169972 U 25.29448007 22.73367404 25.55725389 3.91796531 -2.51109778 6.04956638 U 21.01001192 23.68749671 23.95057421 -7.12538503 13.86829443 4.52269057 U 22.59876657 25.21904386 25.50082602 -2.60152698 1.58016046 1.86533164 U 24.24624097 24.14302402 23.85498893 -70.75022570 -71.33551619 73.13905353 U 25.40027825 25.69682555 25.27812001 3.97439069 6.37303618 14.02751952