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=-36.30651289301415 stress="3.577056724103274e-05 0.00012494812911280316 -7.330893223745903e-05 0.00012494812911280316 0.00017382093567111203 0.00014147454305582066 -7.330893223745903e-05 0.00014147454305582066 0.00019856682669775624" free_energy=-36.30651289301415 pbc="F F F" O 21.24086355 21.12234038 20.84259551 0.79762534 2.40690482 0.95918549 Al 22.49780681 22.71694257 22.05464085 4.26651537 -7.18446422 1.69389925 O 24.07598782 20.72318866 21.04981513 0.45291076 1.89624905 1.18095798 Al 25.54193268 22.30929062 22.31572473 -1.39024836 -1.79882425 -2.26149851 Al 21.17244087 23.87463607 21.24037075 -5.46179693 1.89034906 -3.47655405 Al 22.46414383 25.45748709 22.55706737 0.09189725 1.62123822 1.03040308 O 24.18420533 24.17234883 21.28266400 -0.93824458 -0.20034270 4.76449162 Al 25.65194692 25.54230740 22.51595141 0.25589190 0.49115782 -1.52170150 O 20.77589069 20.88635199 23.83498687 0.89973699 0.93095993 -0.02666674 Al 22.74404172 22.51542809 25.61940476 -2.84633508 0.17785909 -0.95662196 O 24.26304193 21.01321109 24.21097904 0.64956785 3.97336415 0.55195351 Al 25.22147108 22.39181066 25.03418487 1.48478701 -2.38172926 1.21899484 O 21.03585619 23.74702507 24.19460637 2.60764335 -0.34385944 -1.61313655 O 22.33383177 25.32433566 25.67928512 0.85441738 -1.30615562 -1.23607214 Al 24.17848097 24.12853427 23.79424681 -1.15746331 1.32079206 1.60648886 O 25.37982439 25.45521656 25.69451460 -0.56690495 -1.49349870 -1.91412318