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=-34.98937587188697 stress="9.906029561613214e-05 -3.979199513209837e-05 2.5019677199932492e-05 -3.979199513209837e-05 5.766061031908757e-05 -1.7481222180581388e-05 2.5019677199932492e-05 -1.7481222180581388e-05 -1.835015069701906e-05" pbc="F F F" C 20.90599938 21.29594673 21.15710459 -0.00350708 -0.88992459 -0.80813578 C 22.49042854 22.60531117 22.47664413 -0.21990276 0.64131102 -0.28551099 Fe 24.24122900 21.02201293 20.96067009 -0.19166425 0.90671401 -0.60714496 Fe 25.42534241 22.48566276 22.31443107 -0.72965773 0.86967843 0.88994510 Fe 21.04376171 23.72051529 21.19273990 0.95061316 -0.36257734 -1.96984746 C 22.06746424 25.26172667 22.55332204 0.80777883 2.35153512 0.95558692 Fe 24.13286216 24.23110688 20.99816022 -1.63723018 -2.33106100 -0.66488671 C 25.51283276 25.70071341 22.32858036 0.61087515 -0.16638799 0.78888343 C 21.14720807 21.34854234 23.95706424 -0.11448337 -0.28212613 1.86486614 Fe 22.77559981 22.21321713 25.71736445 -1.10632192 0.58370191 -1.31771768 C 23.78604778 21.20384132 23.98243948 2.72358148 0.49354085 1.00280565 Fe 25.23214964 22.50041025 25.75551247 -1.70099347 0.17625322 -1.31416866 C 20.85444624 24.19066596 24.06482696 -1.51284380 -1.19122145 1.69154628 Fe 22.34620060 25.51821382 25.20575425 2.84224662 -0.58176673 -0.54899422 C 23.96963223 24.15586213 23.90395547 0.75930577 0.64761522 1.07543052 Fe 25.33226600 25.23049600 25.62036030 -1.47779646 -0.86528456 -0.75265758