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=-41.64477664161897 stress="10.698977045497823 1.7404536248419262 -2.8362305835225747 1.7404536248419262 10.27802186115281 -1.582950997665053 -2.8362305835225747 -1.582950997665053 11.182126823581159" pbc="F F F" Fe -0.29821528 0.29874826 -0.22709028 1.00961370 0.97014052 0.99881971 Fe 1.38090187 1.36136659 1.55835534 -3.03742585 -0.89429122 -3.36920549 Fe 2.94055873 -0.01806569 -0.07998135 -0.33404980 1.10586325 1.39533702 Fe 4.70070203 1.20342959 1.40085166 -1.68820704 0.49039448 0.22694012 Fe -0.00206453 3.28187239 0.01001192 0.00167902 -1.93441062 -0.19468328 Fe 1.48453339 4.43266618 1.37793365 -0.53649124 1.50584696 3.03671984 Fe 2.71904386 3.00082602 0.12825294 1.80084760 -2.17663200 -0.63690726 Fe 4.64302402 4.35498893 1.61042859 -1.32856423 -0.95459774 0.81898387 Fe 0.20947124 -0.14487149 3.05280714 -0.50747118 -0.21800790 -1.09517027 Fe 1.41333883 1.34655491 4.37241235 2.97819855 -0.55492649 1.79426037 Fe 2.82230844 -0.08950840 2.72286420 1.11297978 0.24552528 0.46852918 Fe 4.43858073 1.25205420 4.65488783 -1.55258719 0.56511353 -1.67808228 Fe 0.05988540 2.70245745 3.16431082 -0.58540573 1.75345101 -1.82692444 Fe 1.31425730 4.48844065 4.53277713 0.97702095 -0.94973811 -1.02018392 Fe 2.83272567 2.59368618 2.73794100 2.79768373 2.32539261 2.29347578 Fe 4.28219307 4.71813893 4.26716069 -1.10782107 -1.27912356 -1.21190893