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=-37.16759966386074 stress="6.392700962354531e-05 -5.606038567701545e-06 3.0215985242678703e-05 -5.606038567701545e-06 5.9680322510590036e-05 -2.5940928021529796e-05 3.0215985242678703e-05 -2.5940928021529796e-05 8.840207868496788e-05" free_energy=-37.16759966386074 pbc="F F F" Fe 20.84140700 20.81668137 20.91986395 0.84757509 0.86580432 0.95546046 Fe 22.24396547 22.59073906 22.77219963 5.77608264 -0.75708327 -5.70046232 Fe 23.93381326 21.43007746 21.03269641 -1.72873829 -0.53420892 -0.93046565 Fe 25.22592512 22.16594921 22.54502376 0.88539767 0.58153600 2.03596307 Fe 21.20288723 24.14178865 20.79585403 0.63848278 -0.32248078 1.06509647 Fe 22.44809454 25.72094491 22.47817182 0.47801914 -1.50524475 0.31666078 Fe 24.18190327 23.80376929 21.21219253 -0.93367609 0.54705904 0.66440990 Fe 25.42485375 25.62990665 22.28220450 -0.77063360 -0.73793707 0.69055557 Fe 21.20280062 21.26280203 23.83705818 -1.93317959 -2.54505010 1.65706086 Fe 22.32702941 22.47119596 25.54852473 0.75418798 0.53477667 -0.67159082 Fe 24.05473499 20.91354615 24.41848853 -1.46431434 0.08471886 -1.00261121 Fe 25.41481225 22.37719504 25.28322345 0.74631674 1.01753597 0.45568286 Fe 21.11041876 23.76735611 23.83533445 -2.42952389 3.49858902 2.63557889 Fe 22.24148635 25.58611608 25.53369179 0.50492673 -1.06636336 -0.92409934 Fe 24.02598936 23.72329650 24.06545557 -0.98061685 0.81442105 -0.90097175 Fe 25.40583543 25.25559716 25.20178472 -0.39030611 -0.47607270 -0.34626777