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=99.72009342606344 stress="-2.5951327799522184 -0.04031834866719796 0.048776908053760025 -0.04031834866719796 -2.3058914600134246 0.13440761589812372 0.048776908053760025 0.13440761589812372 -2.4395029680182465" free_energy=99.72009342606344 pbc="F F F" N 0.09176916 0.06487656 0.01477119 -11.37100884 -6.46656612 -13.69369730 N 1.75731063 1.34125301 0.00601457 -0.47220644 16.27263687 -13.22369419 Ga 1.20763472 0.12771106 1.27521450 5.93508387 -30.71357319 -9.77301115 Ga 0.02805905 1.28502229 1.64120549 -40.32089357 10.26229944 -14.83461084 Ga 2.71562917 0.04683757 0.04263272 16.55003010 -13.82413902 -8.01525688 Ga 4.68292312 1.50795275 0.21547056 10.59488577 -9.83570210 -8.40081813 N 4.51635763 0.04797327 1.65944719 5.40896295 -4.47497039 -3.59540184 N 3.17313649 1.38008494 1.75685297 6.30913026 3.34211779 -2.16760956 N 0.12784938 2.83079555 0.23666665 -5.26200285 0.12577073 -9.81949506 N 1.23656475 4.35025269 0.01942903 -8.39443406 7.63072000 -13.35420487 Ga 1.79417082 3.20408111 1.51855009 -12.28587192 -26.63453605 -5.07966717 N 0.03691384 4.20677130 1.57736569 -18.91091407 11.67000550 -9.29680642 N 3.13515963 3.14977756 0.09364432 -5.02478808 -9.78031599 -31.16625333 N 4.77354104 4.53273964 0.07675992 8.13457973 6.80084524 -6.69827713 Ga 4.38803420 3.11071694 1.08477515 33.31205136 -0.48245010 8.70532327 Ga 2.81113270 4.23333983 1.25844313 14.30061788 46.97620221 -1.34387228 Ga 0.29119256 0.16188986 2.94564997 -28.19506232 -37.02298925 10.77096967 Ga 1.24841186 1.49214527 2.80956298 12.96492050 11.92239669 -4.60656722 N 1.22319358 0.19215061 4.66717744 -4.40209641 -14.91060548 23.87507958 N 0.14995810 1.25491735 4.66523617 -12.30694290 3.60046694 15.42434792 Ga 2.61693086 0.18360837 3.12919136 8.06235685 -25.97915906 -5.72178121 Ga 4.45061547 1.36975542 3.42002922 21.05559618 33.10077057 -16.89003080 Ga 4.32706660 0.20359985 4.25068542 9.31337795 -31.32599345 23.46005470 Ga 2.68757061 1.27163296 4.65154029 3.97260226 8.28004756 26.32149270 Ga 0.29811016 2.84864510 2.76010779 -29.93649147 13.09775757 15.52499328 Ga 1.49582161 4.55926218 2.72754451 -6.61731040 36.92890019 7.90322545 N 1.73715536 2.97319133 4.28209294 -5.89808340 -3.29687505 22.37241856 N 0.02971197 4.06744575 4.56636242 -1.07925142 0.42478612 2.35767822 N 2.99397598 3.11781300 3.16162860 23.35076069 -6.91268997 6.32477043 N 4.71338862 4.36129912 2.70918501 1.63553837 0.32715053 4.70250237 N 4.68845996 3.37077357 4.51936868 0.00320240 -0.09334647 -1.19538889 Ga 2.78416794 4.40870368 4.45714373 9.57366102 10.99103774 11.13358810