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=267279.3571139135 stress="-1231968.0597400698 -450240.4038407333 178622.72299429277 -450240.4038407333 -852904.9616233015 395155.03952515445 178622.72299429277 395155.03952515445 -1177542.0645553013" pbc="F F F" Ir -0.49184092 0.51758502 -0.11465046 7.21063118 6.30878940 7.28008499 Ir 1.48157880 2.17929330 1.66819163 616.09467502 -1142.39662800 2398.74721226 Ir 2.22357930 2.53125645 -0.00938984 1128.19439694 558.15836754 -2821.58666162 Ir 3.83072821 2.90511892 1.64280362 -331545.85372645 212374.33613399 -390917.17956438 Ir 1.84700043 -0.15756779 2.46278977 13.23257981 -25.62690237 11.41332491 Ir 4.00874584 1.47035487 3.96256455 2013.18041102 -4057.32971499 1343.82530019 Ir -0.33926016 2.73472902 1.97439616 -2020.57777428 431.03917532 110.60347907 Ir 0.85221239 3.78391703 3.50755477 296.47937767 -22.67600223 -17.27766181 Ir 4.53873710 -0.16124898 0.04501607 -3.83809459 7.39075409 5.87050463 Ir 6.78869878 1.08704370 1.04232503 -747977.13558212 -601089.18876365 659006.12101934 Ir 7.55253583 1.70180448 0.36797912 747131.30151932 601177.09309052 -659857.67959161 Ir 8.76800104 3.46798096 0.55375344 233.78333925 345.33943653 42.40358615 Ir 7.88878196 0.32735308 2.54698081 -157418.90230932 -187129.28459360 -183662.54889577 Ir 8.56864284 1.13070001 3.34079939 158576.84654818 184942.69639060 182911.75059592 Ir 4.58354510 2.42314223 2.53022712 333090.66312599 -209994.10638380 387399.05559698 Ir 6.68481656 3.31404578 3.45151633 -26770.45899722 -26665.01470613 12608.90658728 Ir -0.05751623 5.89903302 -0.33059627 -4.24903874 0.21549102 -13.50420153 Ir 1.19858436 5.83189377 1.91523464 -12199.42934976 5056.20137505 607.89944585 Ir 2.20870677 8.20878198 0.18731193 -7313.51095759 -3527.17037817 -4791.10877896 Ir 3.54075042 8.84950066 1.06186224 7303.64430331 3514.24790847 4804.82211027 Ir 2.74163829 5.18816413 1.83619558 12202.60568147 -5107.51793826 -657.75183537 Ir 3.73082023 6.36699237 3.75461393 3316.47623617 276.78009158 -4563.23814027 Ir 0.55322838 7.82951771 3.10286731 -69417.22762422 -72615.41610111 -37264.44207199 Ir 1.47814140 8.79794929 3.59994109 69408.60918077 72667.05355696 37294.15943070 Ir 4.34593335 5.29605557 -0.40996684 0.79448525 0.14202620 8.99400351 Ir 6.89646162 6.39060571 1.82337612 8626.22051316 -8141.07356700 -655.27916939 Ir 7.32876198 7.50131497 0.15395874 89.74071278 331.63054459 -801.48277375 Ir 8.62801264 8.96500500 1.30881404 102.31185671 114.55631001 101.26760652 Ir 7.68644509 4.36530479 2.93767484 25880.70126323 27102.65533010 -13300.82963013 Ir 8.66309501 6.43871652 3.70607580 70437.55257753 -47498.60991060 -69893.64106888 Ir 5.63340654 7.49565875 2.00976358 -9053.32262201 7355.92708855 1067.21877995 Ir 6.48197965 9.06650563 3.16873458 197.10473027 358.40347135 269.50016982 Ir -0.09215348 0.19399598 4.39089853 5.92902807 9.39038621 2.71237321 Ir 1.97407884 1.02568973 6.66382700 -10161.43533935 14317.34868089 -15910.56298850 Ir 2.52492398 2.34191140 4.47545345 -4238.05550852 2487.36753510 1496.70504939 Ir 4.13082206 4.22994110 5.85428968 -10139.15400624 -17063.94475803 11644.04675854 Ir 2.70751971 0.04542627 7.69562736 10749.09635548 -14841.12313757 15291.14920008 Ir 4.14755955 1.51549175 8.46339875 -9009.51389571 -10182.79157417 17387.51671361 Ir 0.36458161 1.67598656 7.71126424 -788.37181946 303.54352590 498.08517574 Ir 1.28437926 3.74226507 8.97146347 2.17536146 -7.45964944 28.18773587 Ir 5.18234577 0.29159817 5.02847334 623.15161457 -1320.26749106 378.91733278 Ir 5.87342180 1.83343017 6.25406571 44124.84479091 -17669.33650265 -39277.48012773 Ir 8.12699675 2.50964926 4.56841111 -127.54921875 483.17204643 1480.82064615 Ir 8.88164011 3.76441637 5.92705351 458.67018039 761.97306617 816.71526935 Ir 7.79108482 0.16994761 8.18623738 -3384.56190131 -3217.38227241 -2492.24865290 Ir 8.93607961 1.26270277 9.02931331 3374.24776976 3227.25181633 2484.07094532 Ir 4.81674023 2.27059920 7.20848980 -34762.06156232 28454.42666366 22317.89191142 Ir 6.22494385 3.60869210 8.48750627 -1583.23208255 -3069.24133875 3360.96082530 Ir -0.27185771 5.07545038 4.84747776 -175.31197285 223.26171180 225.05844632 Ir 1.54544581 6.95160811 6.54212443 -396.20759459 4182.19609549 -1445.48991607 Ir 2.32436453 6.58262891 4.83532802 -3592.67991061 23.62424474 1270.77032541 Ir 3.41497053 8.30913977 5.71633644 167.75216374 227.50194906 81.19414228 Ir 2.08276969 5.38612339 7.25327809 1131.76038210 -4383.75218147 1587.09759103 Ir 3.59567234 5.72706273 8.70287163 -431.11617564 -886.33339994 1051.52082292 Ir 0.04985373 7.34746322 7.63126597 -2282.53563577 259.21666495 1226.53344163 Ir 1.28805349 8.64960335 8.79971895 264.41088388 268.39473258 241.22056650 Ir 4.83249116 5.41730353 5.03083793 6901.21916148 12212.71356986 -21154.88802197 Ir 5.41692808 5.94625024 6.52115725 5546.99071064 1405.61373672 6575.22814967 Ir 7.75102158 7.05484454 4.61202798 -70415.29979934 47520.01640142 69902.22521776 Ir 7.85718134 8.84635184 6.35260681 206.78724799 3.70090852 -469.14257770 Ir 6.84219436 4.77998746 7.26085494 2588.87677315 2359.87120289 -2812.79687463 Ir 7.97530513 6.47591306 8.92506757 1.56717705 -0.28336258 2.88929887 Ir 4.69082368 7.04933553 7.72988311 -1392.19617313 4288.31149057 2940.14126009 Ir 7.03086203 8.91441493 8.30084278 -216.43907320 18.25549683 488.66116737