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{
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{
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"structure_string": "Ca2 H20 C14 O8\n1.0\n4.252396 0.028267 -0.008549\n-0.055122 7.534757 -1.391907\n0.020488 0.117712 11.221208\nCa H C O\n2 20 14 8\ndirect\n0.008189 0.516459 0.810391 Ca\n0.008189 0.016459 0.810391 Ca\n0.153349 0.128624 0.396902 H\n0.171616 0.857578 0.453114 H\n0.171616 0.357578 0.453114 H\n0.698346 0.817709 0.547371 H\n0.698346 0.317709 0.547372 H\n0.687043 0.090374 0.492737 H\n0.687042 0.590374 0.492736 H\n0.667288 0.652203 0.284947 H\n0.667287 0.152204 0.284947 H\n0.153350 0.628625 0.396902 H\n0.666270 0.381300 0.335983 H\n0.666271 0.881300 0.335982 H\n0.699007 0.715784 0.073465 H\n0.686293 0.943034 0.128260 H\n0.686291 0.443033 0.128260 H\n0.699005 0.215784 0.073465 H\n0.152456 0.903363 0.223660 H\n0.172577 0.174477 0.167461 H\n0.172578 0.674478 0.167461 H\n0.152454 0.403362 0.223660 H\n0.535876 0.827510 0.097682 C\n0.535874 0.327509 0.097682 C\n0.317579 0.792371 0.199169 C\n0.317577 0.292370 0.199169 C\n0.509160 0.766507 0.310407 C\n0.509159 0.266507 0.310407 C\n0.317565 0.740099 0.421511 C\n0.535925 0.705582 0.523154 C\n0.535926 0.205582 0.523154 C\n0.385530 0.853036 0.979635 C\n0.385529 0.353036 0.979635 C\n0.385529 0.679973 0.641170 C\n0.385529 0.179973 0.641171 C\n0.317564 0.240099 0.421511 C\n0.523303 0.082740 0.706643 O\n0.121851 0.254133 0.673794 O\n0.121851 0.754133 0.673794 O\n0.523358 0.450303 0.914184 O\n0.523359 0.950302 0.914184 O\n0.121817 0.278818 0.946977 O\n0.121817 0.778818 0.946977 O\n0.523304 0.582739 0.706643 O\n",
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{
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"structure_string": "Si16 O32\n1.0\n8.494149 0.000003 -3.447558\n-1.399221 8.378276 -3.447593\n0.026904 0.031718 12.254574\nSi O\n16 32\ndirect\n0.764673 0.508156 0.866891 Si\n0.897789 0.491852 0.133108 Si\n0.858735 0.102210 0.366890 Si\n0.897783 0.141266 0.133107 Si\n0.141264 0.897790 0.633110 Si\n0.764673 0.858738 0.866895 Si\n0.235327 0.491844 0.133108 Si\n0.491849 0.235323 0.633111 Si\n0.858739 0.764677 0.366892 Si\n0.102211 0.508149 0.866891 Si\n0.102217 0.858734 0.866893 Si\n0.508150 0.764677 0.366889 Si\n0.235327 0.141263 0.133105 Si\n0.141261 0.235324 0.633107 Si\n0.508143 0.102204 0.366889 Si\n0.491857 0.897796 0.633111 Si\n0.147740 0.852260 0.750000 O\n0.397754 0.602245 0.250002 O\n0.308944 0.237928 0.617887 O\n0.120044 0.691051 0.882109 O\n0.500004 0.775415 0.500001 O\n0.308951 0.879972 0.617894 O\n0.879955 0.308950 0.117891 O\n0.000005 0.775399 0.499999 O\n0.762062 0.691059 0.882119 O\n0.691049 0.120029 0.382106 O\n0.602246 0.397756 0.749998 O\n-0.000005 0.224602 0.500001 O\n0.397744 0.147752 0.250004 O\n0.499996 0.224585 0.499999 O\n0.224610 -0.000006 0.000002 O\n0.147748 0.397744 0.750001 O\n0.691055 0.762072 0.382113 O\n0.892361 0.918857 0.337719 O\n0.224597 0.499998 0.000000 O\n0.775390 0.000006 -0.000002 O\n0.081140 0.107645 0.162275 O\n0.852252 0.602256 0.249998 O\n0.918860 0.892355 0.837725 O\n0.554666 0.081154 0.662297 O\n0.852259 0.147740 0.250000 O\n0.081149 0.554651 0.162288 O\n0.237937 0.308941 0.117880 O\n0.107638 0.081143 0.662281 O\n0.918850 0.445349 0.837712 O\n0.445334 0.918846 0.337703 O\n0.602255 0.852248 0.749996 O\n0.775404 0.500002 -0.000000 O\n",
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{
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"structure_string": "K2 S1\n1.0\n4.515935 0.000000 2.607277\n1.505311 4.257665 2.607277\n-0.000000 -0.000000 5.214553\nK S\n2 1\ndirect\n0.750001 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 S\n",
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{
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"structure_string": "Ti1 H8 C5 O4\n1.0\n4.503296 0.150732 0.421744\n0.240391 5.762707 2.347312\n0.208634 0.195833 6.411518\nTi H C O\n1 8 5 4\ndirect\n0.606594 0.104352 0.080555 Ti\n0.080180 0.001746 0.803152 H\n0.885512 0.745483 0.991592 H\n0.565592 0.472396 0.195793 H\n0.711083 0.965222 0.752243 H\n0.872406 0.285580 0.343269 H\n0.453816 0.530926 0.550557 H\n0.336084 0.731692 0.668738 H\n0.495200 0.198371 0.434897 H\n0.653225 0.290570 0.285265 C\n0.862514 0.934583 0.885121 C\n0.083477 0.432003 0.796423 C\n0.119721 0.781562 0.379060 C\n0.249674 0.618085 0.598502 C\n0.324839 0.856682 0.209918 O\n0.811425 0.398653 0.806046 O\n0.242991 0.302353 0.959931 O\n0.849406 0.846647 0.361134 O\n",
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