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=-7.076766277394526 stress="3.640752726519467e-05 3.7788346933065125e-06 7.004906739530952e-06 3.7788346933065125e-06 3.6948544398603765e-05 4.420923506291449e-06 7.004906739530952e-06 4.420923506291449e-06 4.231727943012616e-05" pbc="F F F" user19 35.24664144 35.30608581 34.95812411 0.05599727 0.05661667 0.04278379 user19 36.64672139 36.73372266 36.05878158 0.97720243 1.48107584 -1.50976418 user19 37.17494101 37.52862565 35.27558972 -0.98448988 -1.51639472 1.53333877 user19 39.17610190 38.75436996 35.61671062 0.08458912 0.05442507 0.02115384 user19 38.06134665 34.76316491 36.81780850 0.00902529 0.04503571 -0.02452313 user19 38.95780320 36.89235613 39.10109830 -0.91438009 0.56445323 0.62981143 user19 34.91270864 37.15220072 37.80377062 0.07383678 0.02938005 0.05433361 user19 35.74963895 38.11081914 39.57567207 0.05728655 -0.06778880 -0.05467494 user19 40.02720995 35.11361964 35.14837749 0.02141301 0.04666398 0.06804384 user19 41.36030127 36.50637921 36.40188652 -0.04297824 0.12262630 -0.02022255 user19 42.24731278 37.86782632 35.21178677 -0.07204586 -0.09040553 0.15955003 user19 43.52855892 38.40151414 37.18778960 -0.24848085 0.10032965 0.10668436 user19 41.73893298 34.51577055 37.63040955 -0.03326991 0.06876968 -0.00435632 user19 43.99758967 35.88490679 39.01700909 -0.06835012 0.08656342 0.02209966 user19 39.98327513 37.64102141 37.47535687 0.06429805 -0.06954307 0.03660624 user19 41.66575081 38.33596897 38.83782926 0.86466291 0.21739115 -0.19522852 user19 35.12062639 39.94996120 35.53685727 0.09773920 0.11702341 0.10880311 user19 36.01282083 41.43783589 36.59780747 0.19167173 -0.38014067 0.20485140 user19 37.50859763 42.59458680 35.37054099 -0.03324430 -0.03635417 0.06157565 user19 39.52612640 44.16329047 36.06799045 0.00435769 -0.04170998 0.01686371 user19 36.93921022 40.25983406 37.40359140 -0.24634684 0.40289120 -0.18795973 user19 38.17971471 41.02812115 38.97710206 0.16565450 -0.08304964 0.17977369 user19 34.62660823 42.50275015 37.76745314 0.11010458 -0.06520260 -0.05700963 user19 36.53522241 44.06961364 38.88460431 0.01294005 -0.06021469 0.03289495 user19 40.46654571 40.27693682 35.13460823 0.46456753 1.04546952 1.71835197 user19 40.81195923 41.00775380 36.18547342 -0.55674804 -1.07045414 -1.52341619 user19 42.26012373 42.97258553 35.24657080 0.07617269 0.06985104 0.09218549 user19 43.63981959 44.16895556 36.14834574 -0.11099996 -0.09473484 -0.06901865 user19 42.05236157 39.50363172 37.79180587 0.01257133 -0.62666741 0.43240475 user19 43.47751246 40.90370830 38.82887104 -0.07557347 -0.05298231 -0.01038549 user19 40.43193062 42.24361394 37.74067036 0.21506919 0.37980407 0.14351483 user19 40.98484898 43.62481759 38.50802474 -0.17720023 -0.51001963 -0.25061921 user19 34.68313195 34.54098966 39.28930667 0.03281282 0.03242423 0.02009368 user19 36.37453777 35.67299785 40.64697368 0.00431935 0.02722263 0.01198197 user19 37.88073854 37.51713066 39.83641128 0.99225755 -0.55444998 -0.66331044 user19 38.68085800 39.01941698 41.30143833 -0.44023054 0.48223359 0.45813563 user19 36.96321300 35.40362572 42.90174982 0.02799775 0.05075835 -0.02775032 user19 38.81508634 36.22263702 44.04900726 -0.02828762 0.01247009 -0.07163572 user19 35.47729917 37.81065302 42.75108871 0.34681515 0.53028698 1.47874193 user19 35.75882863 38.28040420 44.04883067 -0.31549647 -0.54351134 -1.50133680 user19 40.04254293 35.12057263 39.41740785 -0.03629305 0.12189259 -0.04181845 user19 42.07286874 36.08192499 41.17848467 0.24043830 -0.57913581 0.41236690 user19 42.99660317 37.78514257 39.48974256 -0.67670645 0.29072012 -0.34451798 user19 43.23095766 39.24605774 41.10406669 -0.06145631 -0.02120289 -0.04388560 user19 42.55424206 34.83175789 42.05236377 -0.23267623 0.65504694 -0.40436746 user19 42.88619144 36.57026579 43.71353437 -0.02881129 -0.02219246 -0.05909152 user19 39.87235689 37.51234070 42.32352688 0.06761852 0.17570164 0.10331513 user19 41.02444092 38.62295466 43.39471338 -0.11186382 -0.09669632 -0.15887087 user19 35.08961595 40.83320873 40.28714575 0.10691964 0.13525052 0.17185113 user19 36.92750228 41.09165899 41.31028444 0.21428573 -0.09985945 0.05497823 user19 37.55875664 42.65315516 40.46102596 0.10578133 -0.15005936 0.15403016 user19 39.06053585 43.48703278 41.27055702 -0.01089666 -0.21529102 0.07650028 user19 37.79244897 39.90591452 42.24040211 0.35068870 -0.12694731 -0.70106139 user19 38.85768689 40.86392192 43.73811109 -0.05765961 -0.05917317 -0.13531375 user19 34.87155921 42.21683034 41.72037656 0.08803411 -0.13827355 -0.13059015 user19 36.07941764 43.62853738 43.76054002 -0.00442163 -0.01392382 -0.01966225 user19 39.58058674 40.47009240 40.01475147 -0.11485620 0.24324595 0.07857618 user19 40.62964544 41.57740899 40.99972409 -0.18303677 -0.12693411 -0.12679129 user19 42.52837836 42.86475563 40.32990703 1.56953781 0.70809496 0.60814362 user19 43.69532007 43.40022123 40.77762618 -1.64727436 -0.76208558 -0.62924977 user19 42.15999289 40.55043665 42.65405928 -0.00781999 -0.03897457 -0.04237254 user19 43.90000955 41.79148458 44.02977647 -0.03206565 -0.01175825 -0.02288856 user19 40.26264156 43.10122793 42.67880888 0.21616551 0.10940050 0.19513694 user19 41.31405200 43.44474050 43.93336103 -0.36887174 -0.13698786 -0.45778349