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"structure_string": "Si8 H48 C16\n1.0\n9.210539 0.000000 0.000000\n3.973660 8.626839 0.000000\n1.475093 1.991059 9.642054\nC H Si\n16 48 8\ndirect\n0.204266 0.662353 0.080724 C\n0.451243 0.205132 0.096381 C\n0.848991 0.789534 0.155204 C\n0.299739 0.979344 0.259496 C\n0.628924 0.500463 0.283011 C\n0.825560 0.143271 0.326342 C\n0.330924 0.221465 0.396317 C\n0.120485 0.659271 0.499767 C\n0.879515 0.340729 0.500233 C\n0.669076 0.778535 0.603683 C\n0.174440 0.856729 0.673658 C\n0.371076 0.499537 0.716989 C\n0.700261 0.020656 0.740504 C\n0.151009 0.210466 0.844796 C\n0.548757 0.794868 0.903619 C\n0.795734 0.337647 0.919276 C\n0.563978 0.813523 0.004172 H\n0.307674 0.584024 0.026984 H\n0.189099 0.784590 0.033240 H\n0.456654 0.321857 0.078847 H\n0.840763 0.908202 0.102031 H\n0.567573 0.115264 0.133395 H\n0.731856 0.786921 0.152748 H\n0.280356 0.952359 0.163940 H\n0.594274 0.513784 0.178069 H\n0.233710 0.638744 0.189094 H\n0.797435 0.137519 0.224881 H\n0.871971 0.772824 0.264241 H\n0.621765 0.616085 0.292871 H\n0.419727 0.894912 0.293612 H\n0.211494 0.958721 0.339788 H\n0.939339 0.043371 0.355805 H\n0.539795 0.471526 0.357785 H\n0.323476 0.342200 0.384716 H\n0.731511 0.127182 0.403035 H\n0.452791 0.138398 0.424962 H\n0.220137 0.665238 0.425771 H\n0.011117 0.761231 0.462822 H\n0.247570 0.201805 0.482722 H\n0.105172 0.551004 0.497880 H\n0.894828 0.448996 0.502120 H\n0.752430 0.798195 0.517278 H\n0.988883 0.238769 0.537178 H\n0.779863 0.334762 0.574229 H\n0.547209 0.861602 0.575038 H\n0.268489 0.872818 0.596965 H\n0.676524 0.657800 0.615284 H\n0.460205 0.528474 0.642215 H\n0.060661 0.956629 0.644195 H\n0.788506 0.041279 0.660212 H\n0.580273 0.105088 0.706388 H\n0.378235 0.383915 0.707129 H\n0.128029 0.227176 0.735759 H\n0.202565 0.862481 0.775119 H\n0.766290 0.361256 0.810906 H\n0.405726 0.486216 0.821931 H\n0.719644 0.047641 0.836060 H\n0.268144 0.213079 0.847252 H\n0.432427 0.884736 0.866605 H\n0.159237 0.091798 0.897969 H\n0.543346 0.678143 0.921153 H\n0.810901 0.215410 0.966760 H\n0.692326 0.415976 0.973016 H\n0.436022 0.186477 0.995828 H\n0.015412 0.634475 0.071093 Si\n0.033197 0.372341 0.154202 Si\n0.287935 0.187879 0.229493 Si\n0.833702 0.339730 0.321821 Si\n0.166298 0.660270 0.678179 Si\n0.712065 0.812121 0.770507 Si\n0.966803 0.627659 0.845798 Si\n0.984588 0.365525 0.928907 Si\n",
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{
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"structure_string": "Ca4 Se2\n1.0\n4.524578 2.612266 7.388605\n-4.524578 2.612266 7.388605\n0.000000 -5.224532 7.388605\nCa Se\n4 2\ndirect\n0.625000 0.625000 0.125000 Ca\n0.625000 0.125000 0.625000 Ca\n0.125000 0.625000 0.625000 Ca\n0.625000 0.625000 0.625000 Ca\n0.500001 0.500001 0.500001 Se\n0.750000 0.750000 0.750000 Se\n",
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{
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"structure_string": "Ho2 Be4\n1.0\n4.739251 2.736208 7.739165\n-4.739251 2.736208 7.739165\n0.000000 -5.472416 7.739165\nBe Ho\n4 2\ndirect\n0.625000 0.625000 0.125001 Be\n0.625000 0.125001 0.625000 Be\n0.125001 0.625000 0.625000 Be\n0.625000 0.625000 0.625000 Be\n0.500000 0.500000 0.500000 Ho\n0.750000 0.750000 0.750000 Ho\n",
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{
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"structure_string": "B40 H52 O2\n1.0\n12.157073 -3.494263 0.000000\n12.157073 3.494263 0.000000\n-1.551967 0.000000 9.985066\nB H O\n40 52 2\ndirect\n0.317914 0.927428 0.015533 B\n0.330939 0.787817 0.063533 B\n0.115226 0.054240 0.094742 B\n0.538474 0.699286 0.095524 B\n0.477867 0.888309 0.111452 B\n0.213559 0.118726 0.125067 B\n0.203165 0.890901 0.207405 B\n0.468170 0.687604 0.222084 B\n0.987173 0.617450 0.235184 B\n0.244360 0.436329 0.246943 B\n0.563671 0.755640 0.253057 B\n0.382550 0.012827 0.264816 B\n0.312396 0.531830 0.277916 B\n0.109099 0.796835 0.292595 B\n0.881274 0.786441 0.374933 B\n0.111691 0.522133 0.388548 B\n0.300714 0.461526 0.404476 B\n0.945760 0.884774 0.405258 B\n0.212183 0.669061 0.436467 B\n0.072572 0.682086 0.484467 B\n0.927428 0.317914 0.515533 B\n0.787817 0.330939 0.563533 B\n0.054240 0.115226 0.594742 B\n0.699286 0.538474 0.595524 B\n0.888309 0.477867 0.611452 B\n0.118726 0.213559 0.625067 B\n0.890901 0.203165 0.707405 B\n0.687604 0.468170 0.722084 B\n0.617450 0.987173 0.735184 B\n0.436329 0.244360 0.746943 B\n0.755640 0.563671 0.753057 B\n0.012827 0.382550 0.764816 B\n0.531830 0.312396 0.777916 B\n0.796835 0.109099 0.792595 B\n0.786441 0.881274 0.874933 B\n0.522133 0.111691 0.888548 B\n0.461526 0.300714 0.904476 B\n0.884774 0.945760 0.905258 B\n0.669061 0.212183 0.936467 B\n0.682086 0.072572 0.984467 B\n0.666437 0.292747 0.017863 H\n0.954476 0.173287 0.041581 H\n0.691856 0.539875 0.047133 H\n0.573392 0.866429 0.057512 H\n0.106569 0.275177 0.087515 H\n0.712303 0.041761 0.100839 H\n0.099735 0.570529 0.155903 H\n0.913949 0.603549 0.167277 H\n0.359956 0.280661 0.186457 H\n0.174911 0.662800 0.188938 H\n0.092328 0.079959 0.222087 H\n0.466172 0.428276 0.238269 H\n0.848980 0.811396 0.243712 H\n0.188604 0.151020 0.256288 H\n0.571724 0.533828 0.261731 H\n0.920041 0.907672 0.277913 H\n0.337200 0.825089 0.311062 H\n0.719339 0.640044 0.313543 H\n0.396451 0.086051 0.332723 H\n0.429471 0.900265 0.344097 H\n0.958239 0.287697 0.399161 H\n0.724823 0.893431 0.412485 H\n0.133571 0.426608 0.442488 H\n0.460125 0.308144 0.452867 H\n0.826713 0.045524 0.458419 H\n0.707253 0.333563 0.482137 H\n0.292747 0.666437 0.517863 H\n0.173287 0.954476 0.541581 H\n0.539875 0.691856 0.547133 H\n0.866429 0.573392 0.557512 H\n0.275177 0.106569 0.587515 H\n0.041761 0.712303 0.600839 H\n0.570529 0.099735 0.655903 H\n0.603549 0.913949 0.667277 H\n0.280661 0.359956 0.686457 H\n0.662800 0.174911 0.688938 H\n0.079959 0.092328 0.722087 H\n0.428276 0.466172 0.738269 H\n0.811396 0.848980 0.743712 H\n0.151020 0.188604 0.756288 H\n0.533828 0.571724 0.761731 H\n0.907672 0.920041 0.777913 H\n0.825089 0.337200 0.811062 H\n0.640044 0.719339 0.813543 H\n0.086051 0.396451 0.832723 H\n0.900265 0.429471 0.844097 H\n0.287697 0.958239 0.899161 H\n0.893431 0.724823 0.912485 H\n0.426608 0.133571 0.942488 H\n0.308144 0.460125 0.952867 H\n0.045524 0.826713 0.958419 H\n0.333563 0.707253 0.982137 H\n0.086674 0.913326 0.250000 O\n0.913326 0.086674 0.750000 O\n",
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{
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"structure_string": "Li4 Al2 B10 H76 N12\n1.0\n7.379111 -0.001352 0.000038\n-3.690726 6.389344 0.000036\n0.000078 0.000129 15.122351\nAl B H Li N\n2 10 76 4 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500001 Al\n0.666658 0.333317 0.047257 B\n0.000000 0.379654 0.249995 B\n0.379656 0.000000 0.250001 B\n0.620332 0.620354 0.250004 B\n0.333329 0.666679 0.452743 B\n0.666670 0.333321 0.547257 B\n0.379668 0.379646 0.749996 B\n0.620346 0.000000 0.749998 B\n0.000000 0.620346 0.750005 B\n0.333341 0.666683 0.952743 B\n0.333316 0.666669 0.033762 H\n0.169478 0.777018 0.048720 H\n0.607463 0.830452 0.048722 H\n0.223024 0.392562 0.048742 H\n0.534345 0.161078 0.073790 H\n0.626778 0.465597 0.073797 H\n0.838856 0.373268 0.073797 H\n0.741190 0.060242 0.094256 H\n0.939724 0.680824 0.094258 H\n0.319174 0.258965 0.094262 H\n0.142341 0.889297 0.137247 H\n0.746912 0.857622 0.137253 H\n0.110740 0.253026 0.137260 H\n0.428441 0.907604 0.196543 H\n0.092403 0.520916 0.196549 H\n0.479062 0.571438 0.196577 H\n0.875090 0.219438 0.211577 H\n0.780522 0.655734 0.211583 H\n0.344313 0.124826 0.211597 H\n0.219434 0.875154 0.288406 H\n0.124821 0.344350 0.288416 H\n0.655700 0.780556 0.288421 H\n0.907625 0.428526 0.303423 H\n0.571456 0.479101 0.303447 H\n0.520893 0.092450 0.303459 H\n0.857684 0.746933 0.362738 H\n0.253014 0.110731 0.362742 H\n0.889331 0.142405 0.362761 H\n0.680867 0.939735 0.405731 H\n0.258964 0.319183 0.405746 H\n0.060245 0.741154 0.405748 H\n0.373290 0.838889 0.426201 H\n0.465596 0.626785 0.426202 H\n0.161105 0.534357 0.426211 H\n0.830422 0.607434 0.451262 H\n0.392516 0.223025 0.451269 H\n0.777016 0.169487 0.451287 H\n0.666644 0.333299 0.466238 H\n0.333356 0.666701 0.533762 H\n0.222984 0.830511 0.548713 H\n0.607485 0.776975 0.548732 H\n0.169578 0.392564 0.548739 H\n0.838895 0.465644 0.573789 H\n0.534403 0.373215 0.573797 H\n0.626711 0.161111 0.573798 H\n0.939754 0.258846 0.594252 H\n0.741036 0.680817 0.594255 H\n0.319134 0.060265 0.594269 H\n0.110671 0.857595 0.637240 H\n0.746986 0.889269 0.637259 H\n0.142316 0.253068 0.637263 H\n0.479107 0.907550 0.696540 H\n0.428543 0.520898 0.696553 H\n0.092374 0.571474 0.696576 H\n0.344299 0.219444 0.711578 H\n0.875178 0.655650 0.711583 H\n0.780565 0.124846 0.711594 H\n0.655687 0.875174 0.788403 H\n0.219479 0.344266 0.788416 H\n0.124911 0.780563 0.788422 H\n0.520937 0.428562 0.803423 H\n0.907599 0.479086 0.803450 H\n0.571559 0.092396 0.803457 H\n0.889262 0.746975 0.862741 H\n0.253088 0.142379 0.862746 H\n0.857658 0.110703 0.862753 H\n0.680829 0.741036 0.905738 H\n0.060276 0.319177 0.905741 H\n0.258810 0.939757 0.905743 H\n0.373222 0.534405 0.926202 H\n0.161144 0.626734 0.926203 H\n0.465655 0.838922 0.926209 H\n0.776976 0.607438 0.951257 H\n0.392536 0.169548 0.951277 H\n0.830522 0.222982 0.951280 H\n0.666683 0.333331 0.966238 H\n0.666713 0.333399 0.215590 Li\n0.333376 0.666758 0.284410 Li\n0.666624 0.333242 0.715590 Li\n0.333287 0.666600 0.784411 Li\n0.070840 0.821073 0.078064 N\n0.750237 0.929120 0.078070 N\n0.178906 0.249793 0.078085 N\n0.929104 0.750224 0.421918 N\n0.249792 0.178953 0.421931 N\n0.821104 0.070864 0.421934 N\n0.178895 0.929134 0.578066 N\n0.750206 0.821044 0.578070 N\n0.070895 0.249774 0.578083 N\n0.821092 0.750209 0.921914 N\n0.249764 0.070880 0.921930 N\n0.929160 0.178929 0.921937 N\n",
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{
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