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"structure_string": "Ti1 H14 C9 O6\n1.0\n5.616824 -0.417991 -1.441161\n-0.526860 5.803068 0.329291\n-0.471263 0.175434 7.913137\nTi H C O\n1 14 9 6\ndirect\n-0.020237 0.516768 0.091448 Ti\n0.006401 -0.088946 0.618507 H\n0.152359 0.129336 0.502007 H\n0.297185 0.007927 0.903579 H\n0.157795 0.244541 0.801248 H\n0.476228 0.266814 0.474950 H\n0.553351 0.567689 0.492655 H\n0.604476 0.125653 0.230425 H\n0.534545 0.899466 0.635481 H\n0.767916 0.887366 0.284553 H\n0.703400 0.021328 0.454587 H\n0.961445 0.064080 0.097459 H\n0.632935 0.762252 0.016445 H\n0.784828 0.412134 0.491092 H\n0.315647 0.674481 0.683752 H\n0.185629 0.006989 0.616898 C\n0.289733 0.134758 0.791441 C\n0.626226 0.399464 0.540563 C\n0.632054 0.969693 0.317482 C\n0.399554 0.808130 0.285649 C\n0.265785 0.741857 0.408662 C\n0.535049 0.288764 0.840965 C\n0.696880 0.386752 0.733704 C\n0.338992 0.826528 0.593866 C\n0.067282 0.587864 0.351704 O\n0.808977 0.785101 0.033009 O\n0.052821 0.220649 0.139464 O\n0.305842 0.709677 0.129210 O\n0.912465 0.487556 0.822575 O\n0.619954 0.342963 0.003946 O\n",
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"formula_full": "H3 C3 S2 N1",
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{
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"created_at": "2022-09-04T14:36:48.638212Z",
"updated_at": "2022-09-04T14:36:48.638235Z",
"structure_string": "Ca2 Mg2\n1.0\n5.569026 0.000000 -0.000000\n0.000000 3.932860 0.000000\n0.000000 0.000000 5.568914\nCa Mg\n2 2\ndirect\n0.750001 0.500000 0.250040 Ca\n0.250000 0.500000 0.749959 Ca\n0.750001 0.000000 0.750093 Mg\n0.250000 0.000000 0.249907 Mg\n",
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{
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"created_at": "2022-09-04T14:37:51.014508Z",
"updated_at": "2022-09-04T14:37:51.014541Z",
"structure_string": "Rb3 Ca1\n1.0\n-3.669498 3.669498 5.213275\n3.669498 -3.669498 5.213275\n3.669498 3.669498 -5.213275\nRb Ca\n3 1\ndirect\n0.749999 0.250000 0.499999 Rb\n0.250000 0.749999 0.499999 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ca\n",
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{
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"updated_at": "2022-09-04T14:36:15.254947Z",
"structure_string": "Li9 S3 N1\n1.0\n5.467999 -0.000000 0.000000\n-0.000000 5.467999 -0.000000\n-0.000000 -0.000000 5.467999\nLi S N\n9 3 1\ndirect\n0.783461 0.216539 0.783461 Li\n0.216539 0.216539 0.216539 Li\n0.783461 0.783461 0.783461 Li\n0.216539 0.783461 0.216539 Li\n0.783461 0.216539 0.216539 Li\n0.783461 0.783461 0.216539 Li\n0.500000 0.500000 0.500000 Li\n0.216539 0.783461 0.783461 Li\n0.216539 0.216539 0.783461 Li\n0.500000 0.500000 0.000000 S\n0.000000 0.500000 0.500000 S\n0.500000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 N\n",
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"created_at": "2022-09-04T14:38:15.529521Z",
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"structure_string": "Rb3 Mg3\n1.0\n0.000000 0.000000 5.327265\n5.794760 5.050076 0.000000\n0.000000 10.100157 0.000000\nRb Mg\n3 3\ndirect\n0.500000 0.333335 0.105450 Rb\n0.000000 0.713158 0.570081 Rb\n0.000000 0.953508 0.949905 Rb\n0.500000 0.600080 0.342769 Mg\n0.000000 0.333335 0.422282 Mg\n0.500000 0.066587 0.609515 Mg\n",
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{
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"updated_at": "2022-09-04T14:38:51.779758Z",
"structure_string": "Na1 B1 H2\n1.0\n2.776335 0.000000 0.000000\n0.000000 2.776335 -0.000000\n0.000000 0.000000 4.398952\nNa B H\n1 1 2\ndirect\n0.500001 0.500001 0.589879 Na\n0.000000 0.000000 0.038513 B\n0.000000 0.000000 0.320250 H\n0.500001 0.500001 0.061359 H\n",
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{
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"created_at": "2022-09-04T14:36:53.533514Z",
"updated_at": "2022-09-04T14:36:53.533525Z",
"structure_string": "H4 C6 S2 O1\n1.0\n4.521639 0.026144 -0.953430\n-1.544618 4.798238 -1.383614\n0.056134 -0.008288 6.794891\nH C S O\n4 6 2 1\ndirect\n0.985860 0.608107 0.852786 H\n0.332393 0.061570 0.216026 H\n0.293457 0.404020 0.566582 H\n0.295034 0.493063 0.971198 H\n0.182431 0.003339 0.311949 C\n0.159771 0.184668 0.499095 C\n0.952472 0.058759 0.595022 C\n0.991767 0.734611 0.267612 C\n0.042639 0.457556 0.929240 C\n0.873885 0.159668 0.785615 C\n0.779530 0.705612 0.448776 S\n0.605903 0.953607 0.854104 S\n0.939475 0.491420 0.118448 O\n",
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"structure_string": "Mg1 H12 S1 O9\n1.0\n5.864494 -0.019795 -0.662975\n-0.739937 5.817661 -0.662975\n-0.017495 -0.019795 5.901824\nMg H S O\n1 12 1 9\ndirect\n0.989417 0.989420 0.989417 Mg\n0.183728 0.795430 0.366025 H\n0.016066 0.528729 0.943067 H\n0.943067 0.016069 0.528727 H\n0.619190 0.729481 0.131849 H\n0.131849 0.619191 0.729479 H\n0.528727 0.943068 0.016066 H\n0.401066 0.270050 0.064160 H\n0.064160 0.401066 0.270049 H\n0.270050 0.064161 0.401066 H\n0.366026 0.183730 0.795428 H\n0.795428 0.366027 0.183728 H\n0.729480 0.131851 0.619190 H\n0.501921 0.501923 0.501921 S\n0.137232 0.945773 0.326619 O\n0.945772 0.326621 0.137232 O\n0.326619 0.137234 0.945771 O\n0.872422 0.065850 0.667824 O\n0.065848 0.667826 0.872422 O\n0.667824 0.872424 0.065847 O\n0.478755 0.249626 0.556129 O\n0.249624 0.556130 0.478755 O\n0.556129 0.478756 0.249624 O\n",
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"structure_string": "Li1 Ca2 Al1\n1.0\n-0.000000 3.779002 3.779002\n3.779002 -0.000000 3.779002\n3.779002 3.779002 0.000000\nLi Ca Al\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.249999 0.249999 0.249999 Al\n",
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{
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"structure_string": "H2 S1\n1.0\n3.770616 0.209849 -0.301589\n0.118747 -2.373086 -0.163781\n1.140109 -2.072196 -3.820759\nH S\n2 1\ndirect\n0.586119 0.773487 0.480883 H\n0.377772 0.565649 0.689029 H\n0.981931 0.169624 0.084895 S\n",
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