32 Lattice="7.748986775730094 0.0 0.0 0.0 7.748986775730094 0.0 0.0 0.0 7.748986775730094" Properties=species:S:1:pos:R:3:forces:R:3 energy=-60.58894204357561 stress="0.016796594409941794 -1.3764709738630096e-05 -0.0017249771397824828 -1.3764709738630096e-05 -0.019854902062653286 0.00868408655906896 -0.0017249771397824828 0.00868408655906896 -0.022896628283828425" pbc="F F F" P 0.01055055 0.00836030 0.01561528 -2.73718780 -2.62494729 -2.71355084 P 1.96332134 1.92129732 0.03766690 5.67369905 2.21931253 -2.69430316 P 1.96740879 0.02178399 1.91248970 5.62606897 -2.85590502 2.12804252 P 0.00552980 1.90193949 1.97172729 -2.45323773 2.43023283 1.63182942 Fe 3.93070635 0.03868800 0.01873366 -0.22836290 0.97269340 0.92684204 P 5.82882092 1.91049091 0.02594466 -1.37307751 0.22068714 1.14819865 Fe 5.79522429 0.01492111 1.88006941 -0.82615916 0.89227093 0.06988753 Fe 3.85710049 1.87576251 1.93826910 0.03692470 0.17407602 -0.22394455 P 0.04753061 3.86640244 0.00368731 -0.53217198 1.56486551 -2.31168511 Fe 1.93614321 5.82617522 0.02592084 -0.24067323 -1.17193467 0.98047143 Fe 1.96795972 3.88072101 1.96038050 -0.74032579 -0.04550569 -0.26075369 P 0.05183706 5.78747297 1.90931460 -0.66023784 2.58090548 -1.85219281 Fe 3.90651318 3.88407849 0.01729871 0.01813152 -0.05301588 0.86440603 P 5.80721315 5.83364325 0.00312799 -1.11294432 -1.23922835 1.10229289 Fe 5.78760570 3.84028325 1.94579819 -0.80273550 0.21100860 -0.34664603 Fe 3.87312088 5.78647548 1.88146327 0.14688047 -0.86535311 0.08061381 P 0.03832596 0.00658791 3.87176495 -0.58793472 -2.50710205 2.01556718 Fe 1.96549454 1.92038208 3.84722314 -0.78068830 0.03417877 0.30724816 Fe 1.92985857 0.03745961 5.77832723 -0.24055403 0.95797100 -0.96275250 P 0.02479444 1.91694880 5.84992960 -0.52150612 -1.54057290 2.03621244 Fe 3.82008321 0.01825749 3.87913326 0.35836442 0.88290392 0.12313607 Fe 5.81001476 1.94433761 3.82814759 -0.93070664 -0.18115804 0.55067504 P 5.82828501 0.00813434 5.84578077 -1.23257047 1.27304162 -1.27556970 Fe 3.85541455 1.97140995 5.82458787 0.24110359 -0.13949540 -0.97804221 P 0.00476745 3.89380596 3.85906090 -2.39690133 -2.40915774 -1.58714550 P 1.94333419 5.77953836 3.86854643 5.74799499 2.57482246 -1.72732078 P 1.97289867 3.85691034 5.82007539 5.44470332 -1.75126561 2.18823874 P 0.01001951 5.78224659 5.81419785 -2.65591883 2.56174944 2.65699356 Fe 3.82428846 3.87082189 3.84104860 0.20926626 0.13821252 0.36832826 Fe 5.82270228 5.81010843 3.87189071 -1.08325946 -1.08394916 0.14151388 P 5.79205881 3.84603661 5.78942219 -1.42269873 -0.03757718 -1.33710526 Fe 3.83126462 5.83002993 5.77838355 0.05671509 -1.18276408 -1.04948551