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=-41.64477664161895 stress="0.00014440904121447185 2.3491707494357335e-05 -3.828191587737117e-05 2.3491707494357335e-05 0.00013872721440925272 -2.136582169399798e-05 -3.828191587737117e-05 -2.136582169399798e-05 0.0001509303372149489" pbc="F F F" Fe 20.70178472 21.29874826 20.77290972 1.00961370 0.97014052 0.99881971 Fe 22.38090187 22.36136659 22.55835534 -3.03742585 -0.89429122 -3.36920549 Fe 23.94055873 20.98193431 20.92001865 -0.33404980 1.10586325 1.39533702 Fe 25.70070203 22.20342959 22.40085166 -1.68820704 0.49039448 0.22694012 Fe 20.99793547 24.28187239 21.01001192 0.00167902 -1.93441062 -0.19468328 Fe 22.48453339 25.43266618 22.37793365 -0.53649124 1.50584696 3.03671984 Fe 23.71904386 24.00082602 21.12825294 1.80084760 -2.17663200 -0.63690726 Fe 25.64302402 25.35498893 22.61042859 -1.32856423 -0.95459774 0.81898387 Fe 21.20947124 20.85512851 24.05280714 -0.50747118 -0.21800790 -1.09517027 Fe 22.41333883 22.34655491 25.37241235 2.97819855 -0.55492649 1.79426037 Fe 23.82230844 20.91049160 23.72286420 1.11297978 0.24552528 0.46852918 Fe 25.43858073 22.25205420 25.65488783 -1.55258719 0.56511353 -1.67808228 Fe 21.05988540 23.70245745 24.16431082 -0.58540573 1.75345101 -1.82692444 Fe 22.31425730 25.48844065 25.53277713 0.97702095 -0.94973811 -1.02018392 Fe 23.83272567 23.59368618 23.73794100 2.79768373 2.32539261 2.29347578 Fe 25.28219307 25.71813893 25.26716069 -1.10782107 -1.27912356 -1.21190893