504 Lattice="16.453942358050384 0.0 0.0 0.0 11.634694218629999 0.0 0.0 0.0 38.39253216878425" Properties=species:S:1:pos:R:3:forces:R:3 energy=-14858.782911332502 stress="-239.14456462149522 1.654159535041666e-11 -0.036926851518350866 1.654159535041666e-11 257.55151659498176 3.3348724545675945e-06 -0.036926851518350866 3.3348724545675945e-06 -2.0585843846622834e-09" pbc="T T F" Ir 0.00613617 0.00654077 -0.05427789 -0.00000939 -0.00000005 0.00000003 Ir 2.74845989 0.00654077 -0.05427789 -0.00000941 -0.00000005 -0.00000003 Ir 1.37729779 1.94565648 1.36388128 -0.00000936 0.00000019 -0.00000004 Ir 4.11962151 1.94565648 1.36388128 -0.00000920 0.00000019 0.00000004 Ir 2.74845920 0.00654078 2.74041058 -0.00000897 -0.00000036 0.00000014 Ir 5.49078292 0.00654078 2.74041058 -0.00000913 -0.00000036 -0.00000014 Ir 4.11962037 1.94565648 4.11599962 -0.00000892 0.00000056 -0.00000012 Ir 6.86194409 1.94565648 4.11599962 -0.00000848 0.00000056 0.00000012 Ir 5.49078133 0.00654078 5.48743384 -0.00000808 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5.82388788 15.08600578 -0.00000330 0.00000176 -0.00000037 Ir 1.37728460 5.82388788 15.08600578 -0.00000191 0.00000176 0.00000036 Ir 0.00612070 3.88477219 16.45716727 -0.00000120 -0.00000182 0.00000070 Ir 2.74844443 3.88477219 16.45716728 -0.00000196 -0.00000182 -0.00000071 Ir 1.37728050 5.82388788 17.82832932 -0.00000126 0.00000185 -0.00000038 Ir 4.11960422 5.82388788 17.82832932 0.00000020 0.00000185 0.00000038 Ir 2.74844027 3.88477219 19.19949107 0.00000091 -0.00000184 0.00000072 Ir 5.49076400 3.88477219 19.19949108 0.00000014 -0.00000185 -0.00000071 Ir 4.11960006 5.82388788 20.57065312 0.00000086 0.00000182 -0.00000038 Ir 6.86192379 5.82388788 20.57065312 0.00000229 0.00000182 0.00000037 Ir 5.49075989 3.88477219 21.94181462 0.00000298 -0.00000177 0.00000069 Ir 8.23308362 3.88477219 21.94181462 0.00000224 -0.00000176 -0.00000069 Ir 6.86191979 5.82388788 23.31297744 0.00000294 0.00000168 -0.00000035 Ir 9.60424351 5.82388788 23.31297744 0.00000427 0.00000169 0.00000034 Ir 8.23307977 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5.49078133 7.76300359 5.48743384 -0.00000808 -0.00000076 0.00000029 Ir 8.23310505 7.76300359 5.48743384 -0.00000841 -0.00000076 -0.00000029 Ir 6.86194208 9.70211929 6.85906233 -0.00000806 0.00000096 -0.00000020 Ir 9.60426581 9.70211929 6.85906233 -0.00000730 0.00000096 0.00000020 Ir 8.23310264 7.76300359 8.23016205 -0.00000678 -0.00000114 0.00000044 Ir 10.97542637 7.76300359 8.23016205 -0.00000726 -0.00000114 -0.00000044 Ir 9.60426303 9.70211929 9.60136628 -0.00000678 0.00000131 -0.00000027 Ir 12.34658676 9.70211929 9.60136628 -0.00000577 0.00000130 0.00000027 Ir 10.97542326 7.76300359 10.97251534 -0.00000514 -0.00000145 0.00000056 Ir 13.71774699 7.76300359 10.97251534 -0.00000576 -0.00000145 -0.00000056 Ir 12.34658336 9.70211929 12.34368333 -0.00000518 0.00000158 -0.00000033 Ir 15.08890708 9.70211929 12.34368333 -0.00000393 0.00000158 0.00000033 Ir 13.71774334 7.76300359 13.71484296 -0.00000325 -0.00000168 0.00000065 Ir 0.00612471 7.76300359 13.71484296 -0.00000396 -0.00000169 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32.91182077 0.00000881 -0.00000056 0.00000023 Ir 13.71771903 0.00654078 32.91182077 0.00000858 -0.00000056 -0.00000023 Ir 12.34655648 1.94565648 34.28740981 0.00000890 0.00000036 -0.00000007 Ir 15.08888020 1.94565648 34.28740981 0.00000920 0.00000036 0.00000007 Ir 13.71771789 0.00654078 35.66393911 0.00000932 -0.00000019 0.00000008 Ir 0.00609926 0.00654078 35.66393911 0.00000924 -0.00000019 -0.00000008 Ir 15.08887951 1.94565648 37.08209829 0.00000938 0.00000005 -0.00000001 Ir 1.37726087 1.94565648 37.08209829 0.00000943 0.00000005 0.00000001 Ir 10.97543107 3.88477218 -0.05427789 -0.00000939 -0.00000005 0.00000003 Ir 13.71775480 3.88477218 -0.05427789 -0.00000942 -0.00000005 -0.00000003 Ir 12.34659269 5.82388788 1.36388128 -0.00000936 0.00000019 -0.00000004 Ir 15.08891642 5.82388788 1.36388128 -0.00000920 0.00000019 0.00000004 Ir 13.71775410 3.88477218 2.74041058 -0.00000897 -0.00000036 0.00000014 Ir 0.00613547 3.88477218 2.74041058 -0.00000913 -0.00000036 -0.00000014 Ir 15.08891527 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