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=246.18211606331496 stress="-4.180844163474729 0.1412330103583904 0.13758173487737335 0.1412330103583904 -4.248928433100729 0.18894900747046733 0.13758173487737335 0.18894900747046733 -4.404281593981513" free_energy=246.18211606331496 pbc="F F F" N 0.13918523 0.15050642 0.00239915 -18.75630083 -18.56464814 -21.38360637 N 1.54278917 1.73520322 0.24421963 -22.36380873 24.44654006 -54.84012034 N 1.67101883 0.06487656 1.51477119 -3.84326369 -54.27390037 37.90168503 Ga 0.29553441 1.34125301 1.50601457 -73.01733485 36.34834259 -31.22731702 Ga 2.70763472 0.12771106 0.02805905 25.87250113 -23.21217314 -31.78968796 Ga 4.28502229 1.42537343 0.00398130 16.01645507 -1.02667327 -6.17061636 N 4.54263272 0.14469935 1.50795275 0.71884537 -2.86695550 -5.18721692 Ga 2.74043896 1.62960214 1.51635763 92.72259025 7.93527605 -24.07380961 N 0.04797327 3.15944719 0.25900491 -19.55474937 -12.98580624 -17.37597389 Ga 1.27715793 4.75685297 0.12784938 2.27580287 16.65258940 -12.92193004 N 1.43372255 2.98887480 1.73666665 -7.98092264 -21.14139053 -36.57567035 N 0.01942903 4.79417082 1.70408111 -29.29457455 36.55373550 13.06764283 Ga 3.01855009 2.95887194 0.03691384 18.18207788 14.61194204 -20.86112105 N 4.20677130 4.57736569 0.22577322 17.59340799 44.23894176 -69.22487625 N 4.64977756 3.09364432 1.77354104 27.45419753 -44.20409353 30.86847382 Ga 3.03273964 4.57675992 1.38803420 -12.82501617 19.14247685 14.66751466 N 0.29497883 0.29119256 2.71629870 -18.61963888 -55.26070385 0.70621214 N 1.66188986 1.44564997 2.74841186 -25.21080266 -22.46315328 32.18837369 Ga 1.30788338 0.00795817 4.26680101 -2.82459654 -35.00017222 41.82283661 N 0.14854317 1.40119833 4.64995810 -21.70978874 21.62661684 44.20285778 N 2.75491735 0.16523617 3.15701064 -5.37771887 -61.32828984 -58.82501610 Ga 4.37846166 1.35733739 3.14295785 26.21612341 9.02977170 -8.08658038 Ga 4.62919136 0.14592855 4.32706660 11.34712743 -10.51080835 14.47015529 Ga 2.97751256 1.25068542 4.22822113 27.23167700 43.86448913 69.78121433 Ga 0.15154029 2.78973682 3.29811016 -36.93310946 2.93056129 -5.96182866 Ga 1.52088362 4.26010779 2.99582161 -1.12194223 44.00302593 23.48418884 N 1.55926218 2.72754451 4.73715536 17.72924209 -40.01301231 31.74286591 N 0.02704010 4.28209294 4.31157870 -33.68341247 40.76755021 5.58521352 Ga 2.98688953 3.20470050 2.77493780 22.54751638 7.82079015 21.55758683 Ga 4.42000668 4.49397598 3.11781300 9.78211616 16.13556775 12.52231279 Ga 4.60049229 3.14965442 4.36129912 4.23671910 -1.79078534 9.58289700 N 2.70918501 4.75219415 4.56382853 13.19058103 18.53434868 0.35334023