16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-37.5078568113 stress="0.38807550415049835 0.024959222701559404 -0.02671562736006231 0.024959222701559404 0.34130955971450305 0.02015614066606512 -0.02671562736006231 0.02015614066606512 0.25383729440379066" pbc="F F F" Fe -0.25603453 0.09073906 0.27219963 2.21091883 2.49490689 1.06439222 Fe 1.43381326 1.63132919 1.75978669 -3.14905541 -1.66465372 -2.47070491 Fe 2.72592512 -0.21495266 0.18365717 -1.38021001 2.31416351 0.34544703 Fe 4.70288723 1.58343331 1.29585403 -1.84884146 1.14148146 2.12175114 Fe -0.05190546 3.22094491 0.23171545 2.11051034 -2.64667206 1.01994762 Fe 1.68190327 4.32183498 1.71219253 0.60249356 0.31088350 -0.53043109 Fe 2.92485375 2.99127325 -0.21779550 -0.59012017 -0.40723882 3.53407257 Fe 4.78278197 4.56210000 1.69198393 -3.68106104 -3.38163531 -0.57316663 Fe -0.17297059 0.07034430 3.04852473 2.56835012 2.12158895 -0.91979246 Fe 1.55473499 1.41561068 4.63661615 1.76433559 0.59869395 -2.30909603 Fe 2.90480033 -0.12280496 2.54514643 -1.20051473 1.50175170 1.37034776 Fe 4.61041876 1.26735611 4.33533445 -2.72397162 2.27665239 -2.72543133 Fe -0.25851365 3.08611608 3.03369179 2.26453108 -1.82679344 -0.50904180 Fe 1.52598936 4.22329650 4.46375436 0.90194333 -1.27052928 -1.32141502 Fe 2.90583543 2.75559716 2.70178472 3.66834234 0.70424785 3.09141351 Fe 4.79874826 4.27290972 4.38090187 -1.51765075 -2.26684757 -1.18829257