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=-43.53073328508301 stress="0.00039327626717730314 1.463791172056897e-05 1.5458130299329316e-05 1.463791172056897e-05 0.00039832752708342137 4.750146863592052e-05 1.5458130299329316e-05 4.750146863592052e-05 0.00039906987772222243" free_energy=-43.53073328508301 pbc="F F F" Fe 21.05280714 20.91333883 20.84655491 1.13089097 1.02726520 1.01185735 Fe 22.37241235 22.32230844 22.41049160 0.34138557 0.92378236 0.81166416 Fe 23.72286420 20.93858073 20.75205420 -0.35485911 1.50152374 1.70260046 Fe 25.65488783 22.38813862 22.20245745 -1.83227525 0.62842839 0.97067116 Fe 21.16431082 23.94528208 20.98844065 1.26305253 -0.58393877 1.61391287 Fe 22.53277713 25.39971974 22.37366136 0.19892544 -1.97513325 1.18048600 Fe 23.96097674 23.78219307 21.31809142 -0.54530333 0.08013404 -0.01898212 Fe 25.26716069 25.69410236 22.33096497 -1.19596234 -1.84893975 0.85762826 Fe 20.88201197 20.93300593 23.98123238 1.44367117 1.60462002 -0.24418060 Fe 22.27696427 22.41661558 25.46512192 0.65122093 0.94939480 -2.91943275 Fe 24.22586561 21.29391194 23.73808281 -1.04964992 0.65716601 0.13335804 Fe 25.52103145 22.27761356 25.68220204 -1.26709475 0.90198841 -1.46421555 Fe 20.89362841 24.23573857 24.02724172 1.96440250 -1.58862047 -1.13656409 Fe 22.27538150 25.45523081 25.34887301 1.00593357 -1.26081286 -0.93240519 Fe 24.22083292 23.75416963 23.98735431 -0.97683495 -0.05930770 -0.61574556 Fe 25.42299150 25.40698366 25.68107110 -0.77750303 -0.95755017 -0.95065244