64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=3635.7907160958125 stress="-13516.480713443972 4864.94709303476 -15157.34416797569 4864.94709303476 -8754.100372070898 8058.458022269864 -15157.34416797569 8058.458022269864 -21742.41961853899" pbc="F F F" Xe 0.22977238 -0.29974925 -0.03772708 -0.23757821 -0.54254798 -0.26097764 Xe 1.13108905 1.62867899 0.93763193 -14.32566480 -12.32640616 9.39192250 Xe 2.46054773 2.48946322 0.01210115 16.60344892 10.76643487 -11.56182672 Xe 4.73164331 3.63511267 0.58173818 -66.81345332 -87.41689268 57.06231371 Xe 2.53304393 -0.00492569 2.49015461 -267.24671052 -607.34297380 -286.89658825 Xe 3.05592675 1.18319977 3.05147606 267.51660097 607.00804027 284.73029714 Xe 0.01674626 2.77656279 2.27525646 -5.41410705 -0.50717670 -1.76491933 Xe 1.14361042 3.66286303 3.70017010 2.32418766 1.15658043 4.53270869 Xe 4.81731326 -0.24114613 0.28586722 -0.66782748 -0.30034896 -0.35437994 Xe 6.58355281 0.72032706 1.42598366 0.57488693 7.57295454 -10.06308353 Xe 8.13314026 2.70364586 -0.30299353 -0.11218186 -0.07894254 -0.07401264 Xe 9.04488679 4.13302818 1.59432341 0.54903810 -0.40374225 -0.26899742 Xe 6.64678785 -0.42095722 2.96230314 0.73452066 -7.78638251 9.90771357 Xe 8.85777459 1.35174799 3.82464557 32.43425147 -40.41400889 -56.11525186 Xe 5.26480793 2.50782251 2.20133361 0.26599609 -3.11714826 3.22600065 Xe 6.33554114 3.60469419 3.81187567 2.62164866 -1.59593359 -0.26267095 Xe 0.65329365 5.14567977 -0.38135970 -0.39605653 -0.56001608 -0.67245545 Xe 1.57740611 6.32416286 1.36213068 -13.10714029 -8.31350569 20.13449452 Xe 2.52839561 6.96166010 -0.05471882 13.17935734 8.71991350 -19.91441655 Xe 3.30537158 8.05203554 1.98082614 0.19319107 0.42834442 0.01100214 Xe 2.75996938 4.91362440 2.93889653 -2159.77530012 -1647.89618077 -1339.34876186 Xe 3.66398892 5.60323386 3.49886526 2152.77129413 1652.56385428 1331.37035537 Xe 0.33399238 8.16626191 2.94595418 -136.15040215 -21.18906585 -76.44285114 Xe 1.70639273 8.38010649 3.71602970 -14654.65942560 11982.56205718 -21958.82084120 Xe 5.56299223 4.78102691 -0.19313576 65.51506117 90.28148314 -61.02349871 Xe 6.93739171 6.75468955 1.39142763 83.45490261 -133.56337467 646.56947592 Xe 6.91226710 7.04041703 0.00167197 -12.03989722 139.31797076 -677.55241952 Xe 8.85158954 8.71644155 1.01264523 -0.00782262 -0.01554041 0.03706416 Xe 7.55845422 5.49855324 2.71620817 -2.00880805 -13.40791063 3.58854515 Xe 8.63163377 6.81434146 3.68639193 6.40452192 6.06861460 3.82276218 Xe 5.33653676 6.79438473 1.87896985 -74.76332361 1.57490290 23.01116535 Xe 5.94800292 9.04168353 3.49892508 -0.12283893 0.11519637 -0.17972078 Xe -0.05395434 -0.22865358 4.80345302 -3.66251364 -6.57242712 -5.87698947 Xe 0.70417058 1.12061979 5.99954769 4.09474614 -0.46964422 3.04931860 Xe 2.80104626 1.56021268 5.16958327 -0.44759399 4.57830403 -2.62397215 Xe 3.48462876 3.63424463 6.45241424 -5.50222418 2.76620069 -4.81305545 Xe 3.11483939 0.19938482 6.63074063 0.94428897 -4.07720089 4.17757769 Xe 3.86652387 0.49351263 8.99714264 0.08091770 0.07967728 0.16676119 Xe 0.38476101 2.91056916 6.80001375 -1.07172758 6.54915396 3.38427009 Xe 2.08005863 2.90877088 8.85473879 0.07781147 -0.06326612 0.00516215 Xe 5.21955133 0.42794637 4.65989419 -0.30140787 0.24559577 0.36885037 Xe 6.73819575 1.86994806 6.49990786 -3.94793044 -1.75047569 2.44174357 Xe 8.14429807 2.23920618 5.05601704 -29.08888805 40.73957774 51.71422129 Xe 8.26201933 3.41845079 7.00133186 1.06620329 -39.20668869 -11.82013414 Xe 7.22280949 0.02752378 7.88214271 -86.57109384 -24.74522974 -51.03790284 Xe 8.59346065 0.41173078 8.69476045 86.64575876 24.33284082 51.35071726 Xe 4.92971864 2.85132722 7.55875990 -26.78823983 -27.72013920 -27.25765911 Xe 5.99818116 3.68312385 8.63092835 31.96500611 24.90772741 32.02204275 Xe -0.13998165 4.70959624 5.35241021 -1.00197779 0.17976717 -0.02901104 Xe 1.42574122 6.35037568 5.82954522 4.18879217 -6.52238439 -4.10366775 Xe 2.24772845 7.94231301 4.52254381 14791.10683151 -11960.32420551 22034.71952545 Xe 3.76401400 9.10333552 6.38726486 -11.43802192 7.75524946 -10.99216233 Xe 2.43738206 5.28320952 7.71701343 -171.87576993 -191.94132605 -117.22974323 Xe 3.35734987 6.31334172 8.34883157 171.72143339 192.26908632 117.89722108 Xe 0.46322923 7.70213884 6.88390748 -4.36031339 6.01496001 4.61757653 Xe 1.17894718 9.09806020 8.87359251 0.07782181 0.06790732 0.10655260 Xe 5.04122109 5.00848521 4.70237650 6.39883147 -1.60557192 8.74734208 Xe 6.60752305 6.06464026 6.25407848 -4.68479166 -15.79128113 14.82234620 Xe 6.95535328 7.38553784 5.02598198 2.84371155 16.12348272 -14.20579898 Xe 8.53954117 8.84991550 6.06022883 0.27290026 0.23940240 0.20289026 Xe 8.25995394 5.08676985 7.53504810 -316.02478329 -827.59376557 -889.04432946 Xe 8.59153142 5.99599761 8.48044613 316.48833039 868.00520959 902.49463635 Xe 4.97420766 8.27958655 7.55115761 -2303.44256223 732.38223662 -1252.35309442 Xe 6.05368838 7.93442896 8.14025260 2314.94208527 -740.21102192 1263.28061723