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=-37.50785681126122 stress="0.000614752286483177 3.9538025617498784e-05 -4.232035474741643e-05 3.9538025617498784e-05 0.0005406701273051404 3.192944009249936e-05 -4.232035474741643e-05 3.192944009249936e-05 0.0004021048879934366" free_energy=-37.50785681126122 pbc="F F F" Fe 20.74396547 21.09073906 21.27219963 2.21091883 2.49490689 1.06439222 Fe 22.43381326 22.63132919 22.75978669 -3.14905541 -1.66465372 -2.47070491 Fe 23.72592512 20.78504734 21.18365717 -1.38021001 2.31416351 0.34544703 Fe 25.70288723 22.58343331 22.29585403 -1.84884146 1.14148146 2.12175114 Fe 20.94809454 24.22094491 21.23171545 2.11051034 -2.64667206 1.01994762 Fe 22.68190327 25.32183498 22.71219253 0.60249356 0.31088350 -0.53043109 Fe 23.92485375 23.99127325 20.78220450 -0.59012017 -0.40723882 3.53407257 Fe 25.78278197 25.56210000 22.69198393 -3.68106104 -3.38163531 -0.57316663 Fe 20.82702941 21.07034430 24.04852473 2.56835012 2.12158895 -0.91979246 Fe 22.55473499 22.41561068 25.63661615 1.76433559 0.59869395 -2.30909603 Fe 23.90480033 20.87719504 23.54514643 -1.20051473 1.50175170 1.37034776 Fe 25.61041876 22.26735611 25.33533445 -2.72397162 2.27665239 -2.72543133 Fe 20.74148635 24.08611608 24.03369179 2.26453108 -1.82679344 -0.50904180 Fe 22.52598936 25.22329650 25.46375436 0.90194333 -1.27052928 -1.32141502 Fe 23.90583543 23.75559716 23.70178472 3.66834234 0.70424785 3.09141351 Fe 25.79874826 25.27290972 25.38090187 -1.51765075 -2.26684757 -1.18829257