32 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=99.72009322003952 stress="-2.5951325346765532 -0.04031823723715887 0.04877673116513968 -0.04031823723715887 -2.3058918314186934 0.13440754809274738 0.04877673116513968 0.13440754809274738 -2.439502587692809" free_energy=99.72009322003952 pbc="F F F" N 0.09176916 0.06487656 0.01477119 -11.37102450 -6.46657229 -13.69372021 N 1.75731063 1.34125301 0.00601457 -0.47219647 16.27266050 -13.22371923 Ga 1.20763472 0.12771106 1.27521450 5.93510182 -30.71360985 -9.77297575 Ga 0.02805905 1.28502229 1.64120549 -40.32092202 10.26231418 -14.83462012 Ga 2.71562917 0.04683757 0.04263272 16.55002217 -13.82414276 -8.01525510 Ga 4.68292312 1.50795275 0.21547056 10.59489287 -9.83570290 -8.40081758 N 4.51635763 0.04797327 1.65944719 5.40896205 -4.47497267 -3.59539856 N 3.17313649 1.38008494 1.75685297 6.30914049 3.34214019 -2.16762026 N 0.12784938 2.83079555 0.23666665 -5.26200451 0.12576370 -9.81948854 N 1.23656475 4.35025269 0.01942903 -8.39442823 7.63072015 -13.35419851 Ga 1.79417082 3.20408111 1.51855009 -12.28577548 -26.63454194 -5.07975039 N 0.03691384 4.20677130 1.57736569 -18.91090491 11.67001567 -9.29679788 N 3.13515963 3.14977756 0.09364432 -5.02484223 -9.78032022 -31.16621558 N 4.77354104 4.53273964 0.07675992 8.13457044 6.80084213 -6.69826835 Ga 4.38803420 3.11071694 1.08477515 33.31203789 -0.48244560 8.70532209 Ga 2.81113270 4.23333983 1.25844313 14.30062514 46.97619821 -1.34386839 Ga 0.29119256 0.16188986 2.94564997 -28.19504783 -37.02297983 10.77099153 Ga 1.24841186 1.49214527 2.80956298 12.96494554 11.92237390 -4.60654263 N 1.22319358 0.19215061 4.66717744 -4.40210921 -14.91060566 23.87505160 N 0.14995810 1.25491735 4.66523617 -12.30693997 3.60046098 15.42433783 Ga 2.61693086 0.18360837 3.12919136 8.06235362 -25.97917135 -5.72176856 Ga 4.45061547 1.36975542 3.42002922 21.05559561 33.10076438 -16.89002924 Ga 4.32706660 0.20359985 4.25068542 9.31337677 -31.32599099 23.46005359 Ga 2.68757061 1.27163296 4.65154029 3.97261381 8.28003819 26.32149674 Ga 0.29811016 2.84864510 2.76010779 -29.93653016 13.09777353 15.52502154 Ga 1.49582161 4.55926218 2.72754451 -6.61732463 36.92890254 7.90322769 N 1.73715536 2.97319133 4.28209294 -5.89808872 -3.29685268 22.37241302 N 0.02971197 4.06744575 4.56636242 -1.07925298 0.42478347 2.35767811 N 2.99397598 3.11781300 3.16162860 23.35074815 -6.91268718 6.32475008 N 4.71338862 4.36129912 2.70918501 1.63554452 0.32715104 4.70250693 N 4.68845996 3.37077357 4.51936868 0.00320607 -0.09334588 -1.19538720 Ga 2.78416794 4.40870368 4.45714373 9.57365488 10.99103905 11.13359133