64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=22.931782873070464 stress="-0.0004877998496367002 2.0592801462815062e-05 -9.513485482896043e-06 2.0592801462815062e-05 -0.0006976764975719118 -0.00011886962426691594 -9.513485482896043e-06 -0.00011886962426691594 -0.0002571482364383709" free_energy=22.931782873070464 pbc="F F F" Ga 35.54899336 34.67702886 34.91808631 -1.49433213 -2.66613096 -1.96377948 Ga 36.53012021 36.20745718 35.75338144 -6.31945902 -0.12726461 3.43960949 N 37.91262762 37.00770145 35.29505773 8.55636082 6.12510809 -1.43116190 N 38.30971323 38.54950888 36.15689478 1.17538733 -3.19475718 0.21939070 Ga 37.16812304 34.97110637 37.31353740 -0.36051748 -0.01966774 4.56320633 Ga 38.74460900 36.43749407 38.88951389 1.98189592 -7.29422361 -4.38867692 N 35.25877097 38.46421510 38.14136076 -16.89205617 -29.02977415 -8.77659439 N 35.75964391 39.31708383 38.39634390 2.42273335 20.90270327 16.17579315 N 39.45135809 35.20474709 34.84456803 2.10364342 0.95499644 2.29183172 Ga 40.85241932 35.93484523 36.44043053 5.99071941 -12.47849692 -7.07137020 N 42.55611447 37.65615294 35.25610526 -21.53892207 -24.85186413 -25.38564443 Ga 43.19768041 38.44691253 36.10584383 21.91257093 21.31102147 24.54821051 N 43.18190232 34.64803989 37.27109728 -0.48044901 0.26586543 -0.17091495 N 43.71461607 36.39838326 39.56937142 -0.01140268 1.86214823 2.07926840 Ga 40.08517944 37.32397692 36.90041617 -10.05300058 13.51798107 2.34906291 Ga 40.42070114 38.36285754 38.86709042 -3.67657011 4.01883383 -1.71299789 Ga 35.39670792 40.22594915 35.14512500 -3.19807031 -2.16376060 -1.53079264 Ga 36.98684806 41.16217446 35.89501832 4.23002201 -27.21058907 7.97624876 Ga 36.90708041 42.57932770 35.52334184 1.60895663 30.74822960 -6.22144733 N 39.08529746 43.64203254 36.16349494 -4.14949489 -0.06016497 -2.22899818 Ga 37.04587726 40.20881832 37.93624210 11.73603463 10.61713758 -4.11751146 Ga 38.96430809 40.76752055 38.72471071 -0.18486067 -0.91073869 2.06446172 N 34.71058971 42.30327377 37.34176587 1.91065720 1.69239607 2.32064692 Ga 35.99289034 43.31802343 38.95337926 -11.76648858 14.72605702 -10.45001749 N 40.19258583 39.99311214 35.61498033 0.00000004 -0.00000991 0.00000505 N 41.43712694 41.87229668 36.42191139 -29.75083387 -2.27349098 37.67132065 N 42.04355764 41.88065893 35.70429624 29.88268473 0.22720202 -35.56408427 N 43.66907333 43.69911471 36.57021993 0.00000000 0.00000000 0.00000000 Ga 42.70651730 40.09494759 37.20672125 -2.28628790 5.11631467 1.20139710 Ga 43.71753981 41.39874351 39.12324320 52.36244796 -45.39460771 -30.38182448 Ga 39.53499572 42.37366901 37.47145660 3.25670620 0.23531457 -0.86309251 N 41.73843867 43.96940011 39.10695215 0.06932086 -0.01487530 0.09033596 N 35.71384385 35.39553528 39.42084351 1.57446223 -0.46439568 -2.29202969 N 37.02191282 35.96578467 41.68565041 -1.11846415 3.07736382 -2.90841135 Ga 37.99710567 37.94452856 39.57799515 -3.74961102 3.41191551 -0.65235185 Ga 37.92290114 39.29338865 41.02227147 2.01003725 1.91052580 -2.28484492 N 37.27349887 34.93327752 42.50572340 1.33064678 -2.55969373 2.90507051 Ga 38.46045988 36.26652495 43.61713120 1.09106550 1.09691531 -1.21422739 Ga 34.99943715 37.99566899 42.98340045 -54.67759218 -30.22041576 -20.51112138 Ga 36.05829075 38.58438790 43.37207137 56.69916593 32.01465127 19.92842565 Ga 40.23522837 35.09305874 39.80948455 0.68264592 -0.23294920 0.53846991 N 42.01373059 36.04953786 41.99094228 -15.02064826 61.49593297 3.02869783 N 41.72077992 37.49072753 39.59237494 4.62582786 -3.11261789 2.83681137 Ga 43.71571439 38.09092114 41.49500976 0.11724902 -7.39790896 -3.55529465 N 42.19907557 35.17985924 41.89653688 10.03247685 -61.05663885 -9.93102855 Ga 43.40480094 35.75604978 43.41902058 5.82606984 0.72854257 6.50935771 N 39.71775812 37.69348337 42.61580890 -1.97584106 -1.88606373 0.68123797 Ga 40.95288176 38.05765332 44.02708816 0.65145617 0.29030429 0.51754535 Ga 34.64047749 40.45990666 40.41839205 3.89846472 2.49814949 0.57328694 N 36.50796468 41.78109007 40.95267538 -2.83429753 -2.41872947 1.23427914 N 36.71078501 42.11706015 39.48702245 10.94759656 -18.38068193 4.44780698 N 39.21500325 43.42301445 41.06460448 0.00000000 0.00000000 0.00000000 N 37.64884691 40.03026922 42.58232622 -1.47922264 2.06208031 7.78604591 Ga 39.16921532 41.53446524 43.94334568 -2.25030137 -2.70208058 -2.09412025 N 34.80461021 42.08641085 42.12603136 0.31231179 -2.14827860 -2.52037390 N 36.04958236 43.64585644 43.87076245 0.00000000 0.00000000 0.00000000 Ga 40.49348432 40.44621657 40.37005432 -2.49129735 -3.31745009 -0.90578820 N 41.57000634 41.64639607 41.16931461 3.12830115 2.12855557 2.39370477 N 42.88505101 42.10823974 39.59331847 -53.04191313 45.75544630 31.07046531 N 43.04824776 43.72461167 40.83650185 -0.15306575 -1.03835928 -0.89654521 Ga 43.25861112 39.82494205 42.21827064 -2.24542102 5.53986869 1.02870852 Ga 43.29702054 41.31672257 44.05289969 0.05960313 -0.15427929 -0.01417435 N 40.49697458 42.42621834 42.75279856 0.08436842 -1.11026358 -0.95068972 Ga 40.80028368 43.75821628 44.10522603 0.92853040 1.55966192 0.51920668