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=-39.17550794775385 stress="0.0001989595143754746 -2.4490378485832737e-05 1.8466626991413648e-05 -2.4490378485832737e-05 0.0002861338817252686 -3.8550376967847524e-05 1.8466626991413648e-05 -3.8550376967847524e-05 0.0001428543364550353" free_energy=-39.17550794775385 pbc="F F F" O 21.01221188 21.09411584 21.24086355 1.06113868 2.62914880 0.68139340 Al 22.62234038 22.34259551 22.49780681 -0.64655046 -4.70538713 -0.55599890 O 24.21694257 20.72553795 21.12107699 -0.90497620 1.20135294 1.09554864 O 25.22318866 22.54981513 22.54193268 -3.42652373 1.89716822 0.55618116 Al 21.00380522 23.64482763 21.17244087 -1.15069762 -0.14195261 -1.15036464 O 22.53317569 25.74037075 22.30039698 1.34508595 -3.69357413 1.06727582 Al 23.95748709 24.01197821 21.18420533 1.02458230 -0.01845780 -0.72875787 Al 25.61709453 25.62412438 22.69521388 0.87648785 0.39532203 1.36723621 O 21.08705518 21.01595141 23.77589069 1.59882008 2.05464368 -0.65912834 O 22.38635199 22.44482647 25.74404172 0.63259520 1.14725320 -2.63857139 Al 24.03902512 21.11940476 24.26304193 1.12668199 1.31866642 0.95532009 O 25.51321109 22.71097904 25.22147108 -1.98174960 -0.47917319 -1.33081161 Al 20.89181066 23.79303810 24.03585619 -0.47049027 -1.34280725 1.29074093 Al 22.68340693 25.69460637 25.33383177 0.09820320 1.31143024 1.11095728 Al 23.82433566 24.17928512 23.92570064 2.74527355 -1.52341004 1.18510207 O 25.62853427 25.34950111 25.28782022 -1.92788092 -0.05022339 -2.24612286