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=-20.493752796292632 stress="-0.0008044883782638729 -4.481792068041875e-05 0.0002543800141667225 -4.481792068041875e-05 -0.0007345855469182121 0.000274981702345958 0.0002543800141667225 0.000274981702345958 -0.0008301301820364822" pbc="F F F" N 34.80329901 34.79024579 34.78625010 -0.19917947 -0.16885379 -0.14340162 N 36.40541676 36.14877217 35.93971014 -29.54944297 -22.81590038 14.75506603 Ga 37.51470491 37.12391336 35.18130061 32.53395370 26.88905156 -18.10382216 Ga 39.21420824 38.89634676 36.58152797 -2.25700295 -5.73325744 0.35160266 N 37.39863438 35.01193947 37.41351463 4.15391286 -0.88181928 6.04686739 N 38.42839442 36.04620590 38.94057203 0.59432322 -13.78600585 -2.26929627 N 35.18316317 37.50937364 36.89583646 -2.68304170 2.17968873 1.39733560 Ga 36.59095819 38.60311580 39.08003905 -20.05781830 21.41485883 -22.46352327 Ga 40.54824029 34.65113416 34.94467996 -1.02650064 -2.07207029 -1.30610418 Ga 41.15776925 36.18368597 35.94075556 -0.78726231 2.59298291 2.58711975 Ga 42.82944610 36.95630144 34.67712140 1.65754767 2.40726666 1.45530016 N 44.05881600 38.89542833 36.23146662 -1.24183881 -2.02461352 -1.68935013 N 42.82804151 35.09514207 38.06682510 -1.05528442 -10.54273566 -1.18462894 Ga 43.02416096 36.73205921 38.29233652 0.54352244 11.52852157 1.73891319 N 39.98918047 37.34541213 37.70146800 5.54674168 4.59949353 -4.56071193 Ga 41.31637917 39.11227854 38.69883672 6.25930867 -26.91628036 -8.62336977 Ga 34.77783540 39.46903120 34.75202225 0.20622382 -0.94309156 0.99703317 Ga 36.03458290 41.58784691 36.71497245 21.23691385 -10.51589554 -9.02833396 N 37.46173545 42.29798261 35.28458481 7.24933047 4.20630839 -1.40762293 N 39.12642212 43.37655947 35.64102047 -5.20053805 -1.15756509 -2.00814396 Ga 37.39664358 39.83061626 37.15040315 -0.56598645 -0.03521272 1.25798032 N 38.48203926 41.40131030 39.17903887 17.49502868 -19.07881299 -18.24453257 N 34.75881642 42.29310740 37.58692648 -24.10754426 14.77861136 18.39015482 N 35.67039156 43.09030510 38.82359302 0.06595529 -5.02858686 -7.19303163 Ga 39.96471096 39.85135932 34.91529812 -10.19592100 -15.06188098 -16.77264416 N 40.76964547 41.00979155 35.92723384 22.93479504 9.56627497 0.63609645 N 42.23873431 42.06987063 35.66099808 -8.11243572 -8.99341631 -1.88033711 Ga 43.26626284 43.66445021 36.41361249 3.25484092 5.04591693 2.38789073 N 42.20343381 40.34470433 37.96111631 -18.26421591 0.19488389 -17.74894697 N 44.21543266 41.08112972 38.79163954 25.00999641 10.11019474 11.72229533 Ga 40.14252900 42.08004603 37.24759443 -6.34355936 9.42897169 13.34961807 Ga 41.01914132 43.20552865 39.15198730 -1.56942359 1.25698983 0.50221797 N 35.36348415 34.98431936 40.56830388 2.40865295 3.85026887 2.73401463 N 36.32023254 36.00522559 41.65429937 -18.29058611 6.15981702 -20.73590416 N 37.47975650 37.60299683 39.96836453 16.61598899 -16.17108558 26.71882777 N 39.10886605 38.98166904 41.19237275 -23.73166969 -25.68079482 32.30476567 Ga 37.36531311 35.27221949 42.83737120 15.91289805 -10.00512482 18.02432832 Ga 39.21165104 36.53500935 43.70646755 0.81859193 0.71388351 0.61061997 N 34.67543098 37.64792559 42.45940649 1.31617645 1.75243305 0.91790752 Ga 35.92702797 39.45218953 43.34841589 -5.80054319 -2.63162450 0.29693934 N 39.30315564 34.67636058 40.13841662 -2.05581871 3.07092365 -2.74143434 N 41.55607962 36.60603343 41.50949199 -34.01140569 -24.25304397 24.72061558 Ga 42.29273725 37.42709151 40.44742274 23.08594206 36.20227958 -36.02485412 N 43.63761442 38.89954043 40.80029493 1.98552187 -2.72149145 -3.82962770 N 42.47986859 35.00641920 42.90944301 10.38013716 -14.40463210 14.44514023 Ga 43.95249217 36.44517592 43.74546338 -1.28509525 -1.26000752 -0.72799622 N 40.37229896 37.91557061 42.07623522 -10.52878656 -4.07945962 -27.52355990 Ga 41.17472124 38.59523159 43.55504928 0.61702975 2.06009570 29.48577080 Ga 34.91017513 39.84523821 39.62191637 -0.97697015 0.38543238 0.54078414 Ga 36.30349892 40.76994484 41.21179051 -3.36673690 2.42005469 3.51141537 N 37.96435681 42.00374871 39.60761187 -18.87662189 21.76710597 15.72806092 N 39.28940727 44.16444697 41.25592154 -2.53042036 5.57116434 -5.11033394 Ga 37.65859474 39.80926491 42.89847060 4.30369820 0.51225726 -0.45773417 Ga 38.99419998 41.34415479 43.89253075 -0.05444372 0.62078371 0.28869828 Ga 34.98625433 42.66426050 43.02957043 1.10635772 -2.19451021 -2.10035514 Ga 36.91527970 43.55022287 43.70897394 0.31773809 0.16091511 0.12558739 N 40.38456266 40.02153045 39.64286596 14.04710053 33.27984305 -15.17142009 Ga 40.88650555 41.38870516 41.24010842 1.76280287 -0.96497212 -1.71895206 Ga 42.52646854 42.41545227 40.33993288 3.59476535 -0.66530513 -0.83921719 Ga 43.40145305 44.08900375 41.75528551 -0.23234853 -0.10525309 0.38605868 N 42.35593507 39.70925024 42.62804549 10.58947866 14.51887549 0.20112234 N 43.57669840 40.82683866 43.52012943 -4.73022024 -3.59756186 -2.98840545 Ga 39.93090336 42.89804483 42.20270003 2.83451014 -4.41852204 7.20036067 Ga 42.08992530 43.41367386 43.80162687 -0.75112255 -0.33676152 -1.21891319