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=-20.696808204176087 stress="4.390320485877727e-05 -1.5750866295620068e-05 7.497396471482837e-05 -1.5750866295620068e-05 -0.00020503568549546828 9.962963848847102e-05 7.497396471482837e-05 9.962963848847102e-05 -0.0001297997792999835" pbc="F F F" P 20.95491083 21.03437140 21.16374685 0.71341142 -0.47521873 -1.86536314 Fe 22.28342474 22.45673305 22.42710292 0.71302950 1.15382336 0.11525167 Fe 23.95525223 20.89016040 20.97640297 -0.71682874 1.12480384 1.41587127 P 25.24114677 22.22736499 22.75278033 3.19301464 -2.48654701 -3.58948503 P 21.09200417 24.08056263 20.81293521 1.48188502 0.64716480 0.73921343 Fe 22.79489863 25.60552421 22.39486960 -0.46938716 -0.72350549 0.24133371 Fe 23.83386358 24.27093457 20.81728604 -0.82356993 -0.96484729 0.12743568 P 25.23155877 25.42113482 22.29375489 3.08426920 4.47464873 -5.15186751 P 20.88477302 21.06194135 23.87455773 -1.80183076 -3.28814439 -0.53615390 P 22.40855725 22.25979631 25.49454085 4.35390674 -0.48660007 3.46246981 Fe 24.05114214 21.04997140 23.96055881 -2.12262019 -1.29747071 1.43604327 Fe 25.41062519 22.37728820 25.78055862 -0.76601207 0.87322878 -0.96488095 P 20.72950407 23.79998375 24.23232047 -1.13812221 3.37710543 -1.20698442 Fe 22.64379487 25.47257021 25.73672153 1.05540567 -0.78140381 -1.41602954 P 24.24741067 24.17694470 23.75381041 -5.32951365 0.00287454 7.34657087 Fe 25.75912702 25.24222034 25.62398709 -1.42703751 -1.14991199 -0.15342522