64 Lattice="5.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 5.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=85.3344250856 stress="-2.3882312866174846 0.04417325653326395 0.08173665177678648 0.04417325653326395 -2.0923640856410586 -0.13257279734392038 0.08173665177678648 -0.13257279734392038 -1.9791352250189198" pbc="F F F" H 0.28435500 0.48616346 -0.05228330 -3.89603385 -4.85285708 -9.80026554 H 0.53551063 0.68918477 0.87471651 -21.63021842 7.46916826 -3.97545733 H 0.35737556 1.09037753 -0.35420251 -0.49196153 4.10132355 -6.35214936 H 1.69961244 1.67489673 1.09326160 8.77970536 7.04671422 -10.09682505 H 0.95774313 0.43348244 1.04459957 20.97873046 -23.03938935 9.51755011 H 1.57884109 1.09934521 1.46410862 3.61206812 -8.48068810 8.75207097 H -0.38712584 1.09807888 1.20517899 -7.34403866 -0.11445582 0.69500097 H 0.51164823 1.76466917 1.53410470 -23.27394256 -12.79600811 -7.40106033 H 2.51134536 -0.15906987 -0.32187177 -0.24244561 -0.56447697 -0.75844341 H 2.85642533 0.69044699 1.00850073 3.95444697 -26.54941013 -14.90635789 H 4.04574357 1.13418315 0.20055288 2.28298566 -0.71587332 -6.79736860 H 4.67214913 1.86791084 0.02047540 1.16209372 -1.05237206 -2.25523690 H 3.30403308 0.12092295 1.26882052 6.20579437 -11.83725066 3.05278943 H 4.41931516 1.19403365 1.76022647 4.14144234 -1.16848548 3.35936497 H 2.70609579 1.17647898 1.17162521 -7.78857168 26.92568824 3.98966208 H 2.94155864 1.65656831 1.95395218 1.49744542 4.02755443 5.00247077 H -0.36851284 3.12860362 -0.20742290 -0.04029321 -0.45024982 -0.68516128 H 0.84062791 2.72196809 0.77699409 -0.81514672 4.17932181 -8.84654862 H 0.91068129 3.77718821 0.46522721 5.03944966 0.99283893 -6.91788661 H 1.74764067 4.42885490 0.15345710 0.26394467 -0.44715366 0.28031405 H 1.00667591 2.10320685 1.44277975 15.76272175 16.43739880 -3.71515578 H 1.08617626 3.27181451 1.68563465 4.15709618 3.14472025 3.14811544 H -0.07989989 4.13089054 1.29913202 -128.59217452 -41.35961220 -31.28025517 H 0.22081236 4.23854409 1.37703356 119.41636595 49.12552860 33.92028873 H 3.10663782 2.05223585 -0.36090414 -0.51509784 -0.67317979 -1.47229356 H 3.72964430 3.54523347 0.07304992 -32.19749723 5.18793034 29.26074351 H 3.95283950 3.46939310 -0.30670620 23.49964614 -9.35828320 -50.56885333 H 4.16660716 3.75720317 0.65477943 10.47606592 5.93398049 16.81464122 H 4.09774410 1.58988220 1.11230136 3.18838631 3.66191422 2.30842793 H 4.23600835 3.23658592 1.60104480 1.06378948 0.08107012 1.47124054 H 2.90639395 4.21241780 1.05592293 -2.59747376 1.81065226 1.31764551 H 3.63775801 4.64109447 2.18890298 0.65157847 1.62235565 1.55976481 H 0.23643774 0.20825999 3.00964331 -2.15854725 -2.56878526 -1.08276181 H 0.78224730 0.74444526 3.23854080 -0.62276891 -2.94711761 -0.98043764 H 0.61526029 1.92728478 2.34018430 11.72356147 -6.76232877 11.54893043 H 2.06803421 2.02034291 3.18034914 -3.72661387 -5.98260192 -5.69364366 H 1.52476794 0.33401109 3.93944238 -2.88630936 -5.21907942 0.32543433 H 2.38382922 0.90801330 4.31546025 -26.82927056 -37.82007858 33.16666683 H 0.03640482 1.15579246 4.04635981 -2.82595955 -1.11948755 2.24309924 H 0.86864830 2.26590109 4.43300575 -15.90529893 1.28811554 21.56429339 H 2.12948728 -0.22839972 2.42827617 0.43032807 -1.17486709 0.89485094 H 2.84469657 0.62380483 3.83633577 8.40871881 -16.35071580 -16.27476248 H 3.29262288 1.01700784 2.74014761 1.34729703 -1.62257152 -1.83112032 H 4.33395876 2.22338244 2.78483348 4.90415191 -2.74984745 -3.92264612 H 3.71851863 0.00932276 3.81754574 5.03895815 -8.53976748 -2.99517914 H 3.81617330 0.52784988 4.22463807 8.78682172 1.48364035 5.62190760 H 2.54096041 1.31399505 4.14752299 12.38786967 48.14468443 -9.41128944 H 2.63636288 2.25734525 4.32135628 1.66822071 5.39604165 6.80626762 H 0.15051504 2.18308876 2.51423779 -21.96055039 10.59987340 10.21908128 H 0.99958466 2.75713332 3.58406900 -27.74691036 8.14674092 -12.60241428 H 0.54616753 3.84129173 2.70387703 0.04818580 0.95934598 0.68446432 H 1.99836003 4.32147845 3.58340693 -20.52829098 -1.47529236 1.74973765 H 1.25842636 2.05991366 4.04763519 7.99034237 -19.57507552 2.32445083 H 1.53493399 2.86460379 3.65467864 24.20477357 16.51504625 -0.36866577 H -0.25121178 4.48255876 4.12054360 3.07224926 -2.03095881 2.16492798 H 0.59045013 3.91078513 4.63369630 -5.57880421 5.29594480 1.22289676 H 2.61410742 2.36449471 2.96030487 2.84270624 3.41962628 -8.51201319 H 3.58866766 2.77264578 3.41868674 -12.32775541 3.26863954 -22.99063272 H 3.52046324 3.26725030 2.56538150 0.66472389 3.37825909 -7.96410564 H 3.82341371 4.74342364 3.33489132 2.61553756 2.29297760 -2.85777414 H 3.91611730 2.49400789 3.85374949 14.11025331 -28.32175016 19.28404858 H 4.12359303 3.09263961 3.99143570 16.98224280 19.20736061 13.86503144 H 3.08738458 3.31574899 3.79207516 -7.86185481 8.56188047 6.48364377 H 2.51082216 4.43817802 3.52804521 17.02313089 8.01373395 -1.30305892