4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-0.7814068833997544 stress="-1.4752148739054138 0.5556349818844847 -0.29032408099474966 0.5556349818844847 -1.2896342917792287 -0.09351540316164082 -0.29032408099474966 -0.09351540316164082 -0.9217493292097111" free_energy=-0.7814068833997544 pbc="T F F" Fe 2.84140700 0.09073906 0.27219963 -0.65842683 -12.18883109 -12.10715505 Fe 1.65475817 1.63132919 0.25978669 -3.10035069 6.47442369 -7.09556068 Fe 1.22592512 0.18365717 1.70288723 13.26701728 -16.14748066 8.70818255 Fe 0.08343331 1.29585403 1.44809454 -9.50823976 21.86188807 10.49453318