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=-41.23103738598365 stress="0.0002559307667366855 7.73356609047095e-05 6.434357014561695e-05 7.73356609047095e-05 0.00034942808240908676 -6.532141541520679e-06 6.434357014561695e-05 -6.532141541520679e-06 0.0003015626646558275" free_energy=-41.23103738598365 pbc="F F F" Fe 20.85540510 21.11115480 21.11044915 1.05243669 0.73427581 0.72703230 Fe 22.70960170 22.31143450 22.33833517 -1.60098573 4.11223717 2.50218683 Fe 23.64028300 20.89839703 21.13492844 0.84701532 -0.44010199 -0.42886967 Fe 25.27812781 22.51878885 22.32834452 -0.94320944 1.76167228 0.89206838 Fe 20.87679405 23.95894820 21.20259391 1.24653506 -1.02108951 1.52612411 Fe 22.56504129 25.20865944 22.36550211 -2.29210019 3.12039737 3.30917518 Fe 23.78802619 24.22277084 21.18584377 2.76619039 -3.50289107 -2.04911857 Fe 25.68362810 25.69581920 22.48811829 -2.90361329 -2.83501162 0.76386313 Fe 21.26959405 21.17626233 23.69543178 0.50937008 0.53482027 0.33383191 Fe 22.70996341 22.49207130 25.65300231 0.60214474 0.81841806 -2.47109845 Fe 24.03848316 20.95774659 23.91852158 -0.90086353 1.92601258 -0.65703275 Fe 25.45789336 22.38825682 25.27041603 -1.19464216 1.05087648 -0.94069130 Fe 21.19178619 24.17895518 24.29140871 1.17718167 -1.61918029 -2.19686152 Fe 22.61455359 25.53253581 25.64904689 0.96424624 -1.20432901 -1.55842251 Fe 23.78091226 24.10609294 23.78272134 1.58570613 -2.60762630 1.49737090 Fe 25.30598025 25.32157598 25.51361598 -0.91541197 -0.82848024 -1.24955798