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{
"id": "jvasp-112050",
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"structure_string": "Zn1 H10 C7 O4\n1.0\n4.394879 -0.028929 -0.031519\n-2.071913 4.394709 -0.422681\n0.069396 0.019199 9.579146\nZn H C O\n1 10 7 4\ndirect\n0.643178 0.281117 0.173590 Zn\n0.937388 0.499942 0.490298 H\n0.607772 0.429015 0.714528 H\n0.938965 0.393395 0.802976 H\n0.334814 0.928189 0.748035 H\n-0.002189 0.953751 0.659978 H\n0.529627 0.549543 0.951804 H\n0.741502 0.915521 0.888977 H\n0.279052 0.017220 0.420094 H\n0.625806 0.055221 0.523090 H\n0.289846 0.494242 0.575579 H\n0.548559 0.771489 0.335955 C\n0.405254 0.885595 0.459522 C\n0.173533 0.644564 0.550513 C\n0.098371 0.791293 0.686034 C\n0.845896 0.560106 0.775886 C\n0.767418 0.709596 0.911612 C\n0.046801 0.797450 0.022365 C\n0.284868 0.067378 0.025696 O\n0.727801 0.958345 0.250513 O\n0.497944 0.492427 0.326270 O\n0.049375 0.600660 0.101681 O\n",
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{
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{
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"updated_at": "2022-09-04T14:37:14.686131Z",
"structure_string": "Li1 C6\n1.0\n2.161190 -3.743290 0.000000\n2.161190 3.743290 -0.000000\n-0.000000 0.000000 3.626723\nLi C\n1 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.333661 0.500000 C\n0.333661 0.000000 0.500000 C\n0.666339 0.666339 0.500000 C\n0.000000 0.666339 0.500000 C\n0.666339 0.000000 0.500000 C\n0.333661 0.333661 0.500000 C\n",
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},
{
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"created_at": "2022-09-04T14:38:01.217529Z",
"updated_at": "2022-09-04T14:38:01.217538Z",
"structure_string": "Mn4 Be8\n1.0\n2.073698 -3.591750 0.000000\n2.073698 3.591750 0.000000\n-0.000000 -0.000000 6.752502\nMn Be\n4 8\ndirect\n0.333334 0.666668 0.060939 Mn\n0.666668 0.333334 0.560939 Mn\n0.666668 0.333334 0.939061 Mn\n0.333334 0.666668 0.439061 Mn\n0.000000 0.000000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.830042 0.660081 0.250000 Be\n0.169960 0.830041 0.750000 Be\n0.660081 0.830042 0.750000 Be\n0.339920 0.169959 0.250000 Be\n0.830041 0.169960 0.250000 Be\n0.169959 0.339920 0.750000 Be\n",
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{
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"updated_at": "2022-09-04T14:35:40.985645Z",
"structure_string": "Ca2 Cu1 B2 H12 O12\n1.0\n-5.666363 -0.029947 0.002197\n-0.048046 -5.675248 0.053410\n2.687787 0.930102 7.548789\nCa Cu B H O\n2 1 2 12 12\ndirect\n0.777064 0.502947 0.760496 Ca\n0.222936 0.497054 0.239504 Ca\n0.000000 0.000000 0.000000 Cu\n0.249112 0.280522 0.590742 B\n0.750888 0.719480 0.409259 B\n0.517240 0.011753 0.386642 H\n0.957762 0.959068 0.631484 H\n0.792620 0.775178 0.170836 H\n0.308638 0.707553 0.956998 H\n0.190138 0.639247 0.619436 H\n0.556472 0.941055 0.894184 H\n0.691361 0.292449 0.043003 H\n0.207380 0.224824 0.829165 H\n0.443528 0.058946 0.105817 H\n0.042238 0.040933 0.368516 H\n0.482759 -0.011752 0.613359 H\n0.809862 0.360754 0.380564 H\n0.901839 0.789076 0.596547 O\n0.678898 0.823318 0.946191 O\n0.149456 0.691154 0.978467 O\n0.324055 0.532897 0.604462 O\n0.675945 0.467105 0.395538 O\n0.098161 0.210925 0.403454 O\n0.321102 0.176684 0.053810 O\n0.096817 0.239809 0.704561 O\n0.489946 0.158538 0.649434 O\n0.903183 0.760192 0.295439 O\n0.850544 0.308847 0.021535 O\n0.510054 0.841464 0.350567 O\n",
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{
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"updated_at": "2022-09-04T14:35:47.865005Z",
"structure_string": "Cr2 B2\n1.0\n2.913133 -0.000000 -0.000000\n-0.000000 2.742686 -1.036274\n0.000000 0.015417 4.188449\nCr B\n2 2\ndirect\n0.749999 0.145975 0.291948 Cr\n0.250000 0.854028 0.708053 Cr\n0.749999 0.436074 0.872145 B\n0.250000 0.563929 0.127857 B\n",
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{
"id": "jvasp-7999",
"created_at": "2022-09-04T14:37:04.528149Z",
"updated_at": "2022-09-04T14:37:04.528165Z",
"structure_string": "Li6 N2\n1.0\n1.759176 -3.046982 -0.000000\n1.759176 3.046982 0.000000\n-0.000000 -0.000000 6.251740\nLi N\n6 2\ndirect\n0.000000 0.000000 0.750000 Li\n0.000000 0.000000 0.250000 Li\n0.333334 0.666668 0.423189 Li\n0.666668 0.333334 0.923189 Li\n0.666668 0.333334 0.576811 Li\n0.333334 0.666668 0.076811 Li\n0.333334 0.666668 0.750000 N\n0.666668 0.333334 0.250000 N\n",
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{
"id": "jvasp-104033",
"created_at": "2022-09-04T14:36:38.800231Z",
"updated_at": "2022-09-04T14:36:38.800254Z",
"structure_string": "H24 C20 O6\n1.0\n7.433632 0.000000 -2.878943\n0.000000 5.193980 0.000000\n0.210151 0.000000 10.766756\nH C O\n24 20 6\ndirect\n0.143107 0.837875 0.286749 H\n0.489280 0.201955 0.653815 H\n0.510719 0.701955 0.346186 H\n0.606918 0.340708 0.807650 H\n0.393081 0.840708 0.192351 H\n0.371635 0.703084 0.750866 H\n0.628365 0.203084 0.249135 H\n0.140500 0.061500 0.674025 H\n0.029626 0.835507 0.831666 H\n0.970374 0.335507 0.168334 H\n0.099356 0.002461 0.060793 H\n0.900643 0.502461 0.939208 H\n0.859499 0.561500 0.325976 H\n0.709504 0.894868 0.867671 H\n0.290496 0.394868 0.132330 H\n0.269017 0.807536 0.456357 H\n0.730982 0.307536 0.543644 H\n0.905762 0.053557 0.408611 H\n0.094238 0.553557 0.591390 H\n0.856893 0.337875 0.713251 H\n0.827587 0.763015 0.532274 H\n0.597876 0.120725 0.027027 H\n0.402124 0.620725 0.972974 H\n0.172413 0.263015 0.467726 H\n0.176129 0.132847 0.775100 C\n0.778618 0.448324 0.625262 C\n0.221381 0.948324 0.374738 C\n0.617240 0.564780 0.646841 C\n0.382760 0.064780 0.353159 C\n0.515523 0.386713 0.707212 C\n0.484476 0.886713 0.292789 C\n0.344327 0.502207 0.716519 C\n0.655672 0.002207 0.283482 C\n0.823871 0.632847 0.224900 C\n0.720433 0.856024 0.186754 C\n0.887599 0.506068 0.135662 C\n0.153103 0.099730 0.992893 C\n0.846896 0.599730 0.007107 C\n0.258967 0.319715 0.032382 C\n0.741032 0.819715 0.967618 C\n0.321673 0.446887 0.942873 C\n0.678326 0.946887 0.057127 C\n0.279566 0.356024 0.813246 C\n0.112401 0.006068 0.864339 C\n0.787477 0.003239 0.414816 O\n0.423722 0.291449 0.380546 O\n0.576278 0.791449 0.619455 O\n0.105293 0.135930 0.398859 O\n0.894706 0.635930 0.601142 O\n0.212523 0.503239 0.585184 O\n",
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"structure_string": "Mn1 Cr1 B2\n1.0\n4.130699 0.004456 0.000000\n-3.069118 2.764637 0.000000\n0.000000 0.000000 2.930375\nMn Cr B\n1 1 2\ndirect\n0.856933 0.143069 0.000000 Mn\n0.144396 0.855606 0.500001 Cr\n0.432881 0.567121 0.500001 B\n0.565793 0.434209 0.000000 B\n",
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{
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{
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"created_at": "2022-09-04T14:38:43.130181Z",
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"structure_string": "Ti1 H24 C13 O4\n1.0\n4.892578 0.018107 0.447287\n0.107315 6.342959 1.737824\n0.310317 0.350223 11.456363\nTi H C O\n1 24 13 4\ndirect\n0.943160 0.943092 0.843950 Ti\n0.542461 0.493762 0.170733 H\n0.482956 0.360270 0.064602 H\n0.708789 0.248836 0.503259 H\n0.972553 0.420013 0.106060 H\n0.407679 0.409381 0.509004 H\n0.294183 0.215673 0.326096 H\n0.934638 0.219820 0.345018 H\n0.838552 0.333970 0.864894 H\n0.183621 0.059392 0.135114 H\n0.235961 0.895300 0.281355 H\n0.066033 0.603706 0.769513 H\n0.036887 0.561459 0.208525 H\n0.669371 0.064076 0.211474 H\n0.806114 0.822441 0.194113 H\n0.843076 0.136722 0.010975 H\n0.926684 0.428224 0.632473 H\n0.642818 0.604715 0.628137 H\n0.069103 0.741424 0.476046 H\n0.159545 0.257637 0.927577 H\n0.116650 0.835371 0.637902 H\n0.642994 0.935523 0.434831 H\n0.512024 0.737539 0.383171 H\n0.378848 0.751354 0.739248 H\n0.997639 0.559039 0.397952 H\n0.398577 0.485519 0.105427 C\n0.811130 0.933410 0.249455 C\n0.112368 0.430281 0.172045 C\n0.112701 0.220596 0.276877 C\n0.102138 0.021315 0.232531 C\n0.702432 0.819192 0.383560 C\n0.427445 0.691797 0.002263 C\n0.766665 0.509785 0.576331 C\n0.584349 0.339643 0.557694 C\n0.480953 0.181348 0.677900 C\n0.157597 0.762590 0.733593 C\n0.957252 0.202206 0.919697 C\n0.901205 0.656905 0.455260 C\n0.676507 0.744312 0.958430 O\n0.667114 0.067289 0.741096 O\n0.221198 0.801067 0.964555 O\n0.230395 0.161849 0.712535 O\n",
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}