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=-20.493759314188257 stress="-0.0008045356390932684 -4.475765902192101e-05 0.00025437676159386155 -4.475765902192101e-05 -0.0007346089030221806 0.0002750044797474751 0.00025437676159386155 0.0002750044797474751 -0.0008301269237776594" free_energy=-20.493759314188257 pbc="F F F" N 34.80329901 34.79024579 34.78625010 -0.19570633 -0.16590871 -0.14090110 N 36.40541676 36.14877217 35.93971014 -29.55287249 -22.81879481 14.75251625 Ga 37.51470491 37.12391336 35.18130061 32.53389075 26.88899410 -18.10376752 Ga 39.21420824 38.89634676 36.58152797 -2.25706583 -5.73320873 0.35160998 N 37.39863438 35.01193947 37.41351463 4.15392150 -0.88181484 6.04686566 N 38.42839442 36.04620590 38.94057203 0.59433498 -13.78602536 -2.26929806 N 35.18316317 37.50937364 36.89583646 -2.68303513 2.17968767 1.39732675 Ga 36.59095819 38.60311580 39.08003905 -20.05785769 21.41487702 -22.46351607 Ga 40.54824029 34.65113416 34.94467996 -1.02650231 -2.07207399 -1.30610651 Ga 41.15776925 36.18368597 35.94075556 -0.78724967 2.59299053 2.58711267 Ga 42.82944610 36.95630144 34.67712140 1.65753744 2.40726225 1.45530823 N 44.05881600 38.89542833 36.23146662 -1.24183895 -2.02461375 -1.68935033 N 42.82804151 35.09514207 38.06682510 -1.05528086 -10.54270577 -1.18462441 Ga 43.02416096 36.73205921 38.29233652 0.54353385 11.52847741 1.73886846 N 39.98918047 37.34541213 37.70146800 5.54675432 4.59946783 -4.56069186 Ga 41.31637917 39.11227854 38.69883672 6.25929139 -26.91630366 -8.62336368 Ga 34.77783540 39.46903120 34.75202225 0.20622392 -0.94309201 0.99703363 Ga 36.03458290 41.58784691 36.71497245 21.23700851 -10.51595775 -9.02837916 N 37.46173545 42.29798261 35.28458481 7.24932555 4.20657203 -1.40782159 N 39.12642212 43.37655947 35.64102047 -5.20053099 -1.15756460 -2.00813931 Ga 37.39664358 39.83061626 37.15040315 -0.56595553 -0.03545916 1.25813316 N 38.48203926 41.40131030 39.17903887 17.48351736 -19.07047863 -18.24736687 N 34.75881642 42.29310740 37.58692648 -24.10760022 14.77865568 18.39021218 N 35.67039156 43.09030510 38.82359302 0.06594577 -5.02859441 -7.19304343 Ga 39.96471096 39.85135932 34.91529812 -10.19593928 -15.06190665 -16.77268227 N 40.76964547 41.00979155 35.92723384 22.93482826 9.56628388 0.63609895 N 42.23873431 42.06987063 35.66099808 -8.11246447 -8.99345542 -1.88035247 Ga 43.26626284 43.66445021 36.41361249 3.25486594 5.04595698 2.38791033 N 42.20343381 40.34470433 37.96111631 -18.26420524 0.19491343 -17.74896694 N 44.21543266 41.08112972 38.79163954 25.01000074 10.11019938 11.72229921 Ga 40.14252900 42.08004603 37.24759443 -6.34356890 9.42898053 13.34961449 Ga 41.01914132 43.20552865 39.15198730 -1.56941112 1.25699745 0.50224259 N 35.36348415 34.98431936 40.56830388 2.40865000 3.85027382 2.73401127 N 36.32023254 36.00522559 41.65429937 -18.29055888 6.15978755 -20.73587330 N 37.47975650 37.60299683 39.96836453 16.61601074 -16.17110741 26.71885845 N 39.10886605 38.98166904 41.19237275 -23.73166188 -25.68078517 32.30474537 Ga 37.36531311 35.27221949 42.83737120 15.91292267 -10.00506681 18.02432383 Ga 39.21165104 36.53500935 43.70646755 0.81854756 0.71385553 0.61059324 N 34.67543098 37.64792559 42.45940649 1.31617957 1.75243757 0.91790993 Ga 35.92702797 39.45218953 43.34841589 -5.80058137 -2.63162661 0.29692828 N 39.30315564 34.67636058 40.13841662 -2.05582104 3.07092758 -2.74143751 N 41.55607962 36.60603343 41.50949199 -34.01137623 -24.25299901 24.72057332 Ga 42.29273725 37.42709151 40.44742274 23.08590174 36.20223618 -36.02477101 N 43.63761442 38.89954043 40.80029493 1.98552821 -2.72148490 -3.82962649 N 42.47986859 35.00641920 42.90944301 10.38014984 -14.40459794 14.44514061 Ga 43.95249217 36.44517592 43.74546338 -1.28511637 -1.26002821 -0.72800819 N 40.37229896 37.91557061 42.07623522 -10.52879896 -4.07949427 -27.52357229 Ga 41.17472124 38.59523159 43.55504928 0.61699185 2.06006137 29.48586406 Ga 34.91017513 39.84523821 39.62191637 -0.97693897 0.38545709 0.54082382 Ga 36.30349892 40.76994484 41.21179051 -3.36678568 2.42004642 3.51142988 N 37.96435681 42.00374871 39.60761187 -18.87665155 21.76713607 15.72808655 N 39.28940727 44.16444697 41.25592154 -2.53042064 5.57116601 -5.11033618 Ga 37.65859474 39.80926491 42.89847060 4.30373932 0.51229207 -0.45773324 Ga 38.99419998 41.34415479 43.89253075 -0.05445159 0.62077713 0.28867271 Ga 34.98625433 42.66426050 43.02957043 1.10643921 -2.19450864 -2.10035919 Ga 36.91527970 43.55022287 43.70897394 0.31767503 0.16088425 0.12556345 N 40.38456266 40.02153045 39.64286596 14.05862497 33.27146758 -15.16858971 Ga 40.88650555 41.38870516 41.24010842 1.76272440 -0.96495742 -1.71890836 Ga 42.52646854 42.41545227 40.33993288 3.59482287 -0.66524989 -0.83922727 Ga 43.40145305 44.08900375 41.75528551 -0.23234639 -0.10527016 0.38601396 N 42.35593507 39.70925024 42.62804549 10.58954077 14.51892442 0.20105668 N 43.57669840 40.82683866 43.52012943 -4.73022502 -3.59756891 -2.98839347 Ga 39.93090336 42.89804483 42.20270003 2.83453038 -4.41857557 7.20035063 Ga 42.08992530 43.41367386 43.80162687 -0.75113982 -0.33676765 -1.21889078