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{
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{
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{
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"structure_string": "Al4 H12 O12\n1.0\n5.083121 0.000000 0.000000\n0.000000 5.135268 0.000000\n0.000000 0.000000 7.267490\nAl H O\n4 12 12\ndirect\n0.247884 -0.000207 0.499558 Al\n0.252116 0.000207 0.999558 Al\n0.747884 0.500207 0.500442 Al\n0.752116 0.499793 0.000442 Al\n0.965335 0.705541 0.747101 H\n0.918739 0.832687 0.202816 H\n0.715123 0.039654 0.979109 H\n0.581261 0.167314 0.702816 H\n0.534665 0.294460 0.247101 H\n0.784877 0.960347 0.479109 H\n0.418739 0.667314 0.797184 H\n0.284877 0.539654 0.520891 H\n0.215123 0.460346 0.020891 H\n0.081261 0.332687 0.297184 H\n0.034665 0.205540 0.752899 H\n0.465335 0.794460 0.252899 H\n0.868297 0.538473 0.749960 O\n0.631702 0.461528 0.249960 O\n0.585483 0.177404 0.941091 O\n0.572781 0.180938 0.565010 O\n0.427219 0.680938 0.934990 O\n0.131702 0.038472 0.750040 O\n0.368298 0.961528 0.250040 O\n0.085483 0.322596 0.058909 O\n0.072781 0.319062 0.434990 O\n0.914517 0.822596 0.441091 O\n0.414517 0.677405 0.558910 O\n0.927218 0.819062 0.065010 O\n",
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{
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"created_at": "2022-09-04T14:37:17.211498Z",
"updated_at": "2022-09-04T14:37:17.211518Z",
"structure_string": "As4 Cl12\n1.0\n4.086803 0.000000 0.000000\n0.000000 9.462370 0.000000\n0.000000 0.000000 11.400438\nAs Cl\n4 12\ndirect\n-0.005166 0.698036 0.787697 As\n0.494833 0.801964 0.212303 As\n0.005166 0.198036 0.712303 As\n0.505166 0.301964 0.287697 As\n0.254703 0.515135 0.867764 Cl\n0.754702 0.984865 0.132236 Cl\n0.745296 0.015135 0.632236 Cl\n0.245297 0.484865 0.367764 Cl\n0.226779 0.297287 0.120063 Cl\n0.726778 0.202713 0.879937 Cl\n0.773220 0.797287 0.379937 Cl\n0.273221 0.702713 0.620063 Cl\n0.232409 0.132748 0.383313 Cl\n0.732409 0.367252 0.616687 Cl\n0.767590 0.632748 0.116687 Cl\n0.267590 0.867252 0.883313 Cl\n",
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{
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"structure_string": "Ca1 Ga1 H1\n1.0\n4.016158 0.131141 0.000000\n-0.153120 4.693865 0.000000\n0.000000 0.000000 3.569872\nCa Ga H\n1 1 1\ndirect\n0.417217 -0.162445 0.000000 Ca\n-0.082754 0.369516 0.000000 Ga\n-0.082790 0.005698 0.000000 H\n",
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{
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"created_at": "2022-09-04T14:38:11.181603Z",
"updated_at": "2022-09-04T14:38:11.181632Z",
"structure_string": "Na2 Mg1 C2 O6\n1.0\n4.520541 -0.017829 4.145139\n1.812033 4.141515 4.145139\n-0.027380 -0.017829 6.133248\nNa Mg C O\n2 1 2 6\ndirect\n0.197796 0.197797 0.197797 Na\n0.802203 0.802204 0.802204 Na\n0.000000 0.000000 0.000000 Mg\n0.590521 0.590523 0.590523 C\n0.409477 0.409478 0.409478 C\n0.193264 0.700600 0.338603 O\n0.700599 0.338603 0.193265 O\n0.338603 0.193265 0.700600 O\n0.806735 0.299401 0.661398 O\n0.661396 0.806736 0.299401 O\n0.299400 0.661398 0.806736 O\n",
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{
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"created_at": "2022-09-04T14:38:46.001415Z",
"updated_at": "2022-09-04T14:38:46.001439Z",
"structure_string": "Li2 Fe2 P2 H4 O10\n1.0\n4.793963 -0.168261 0.006898\n-0.186947 5.247021 -1.983614\n0.040376 -0.914026 8.851985\nLi Fe P H O\n2 2 2 4 10\ndirect\n0.062821 0.078700 0.370604 Li\n0.581344 0.399713 0.604591 Li\n0.512567 0.511174 0.013062 Fe\n0.011816 -0.013883 0.975367 Fe\n0.589787 0.160288 0.211930 P\n0.082978 0.348118 0.773187 P\n0.007736 0.557365 0.213485 H\n0.493499 0.805475 0.807998 H\n0.657889 -0.021717 0.732486 H\n0.253516 0.630890 0.340164 H\n0.210839 0.643658 0.880936 O\n0.270083 0.153314 0.202042 O\n0.760490 0.332397 0.778318 O\n0.710341 0.263303 0.388734 O\n0.197163 0.241328 0.596882 O\n0.668447 0.817437 0.750979 O\n0.172506 0.688572 0.262572 O\n0.723441 0.326129 0.121556 O\n0.202034 0.202585 0.872867 O\n0.701899 0.875147 0.102237 O\n",
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{
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"structure_string": "Si4 O8\n1.0\n0.000000 4.330307 -0.002258\n4.254087 0.000000 0.000000\n0.000000 -0.518344 -7.930356\nSi O\n4 8\ndirect\n0.554106 0.417150 0.805349 Si\n0.862326 0.010323 0.321456 Si\n0.137675 0.010323 0.678544 Si\n0.445896 0.417150 0.194652 Si\n0.500000 0.329569 0.000000 O\n0.372380 0.771070 0.793909 O\n0.000000 0.850586 0.500000 O\n0.891372 0.225266 0.785461 O\n0.375088 0.282955 0.633676 O\n0.624914 0.282955 0.366325 O\n0.627622 0.771070 0.206092 O\n0.108629 0.225266 0.214540 O\n",
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{
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"structure_string": "Na12 Co4 O12\n1.0\n7.750498 -0.000000 -2.740215\n-3.875249 6.712128 -2.740215\n-0.000000 -0.000000 8.220644\nNa Co O\n12 4 12\ndirect\n0.508477 0.000000 0.273594 Na\n0.508477 0.273593 0.000001 Na\n0.765117 0.491523 0.491524 Na\n0.726407 0.234884 0.726407 Na\n0.273593 0.508477 0.000001 Na\n0.726407 0.726407 0.234884 Na\n0.273593 0.000000 0.508477 Na\n0.491523 0.491523 0.765117 Na\n0.491523 0.765117 0.491524 Na\n0.000000 0.273593 0.508477 Na\n0.000000 0.508477 0.273594 Na\n0.234884 0.726407 0.726407 Na\n0.000000 0.000000 0.633984 Co\n0.000000 0.633984 0.000000 Co\n0.366016 0.366016 0.366016 Co\n0.633984 0.000000 0.000000 Co\n0.749488 0.227391 0.227391 O\n0.772609 0.000000 0.522097 O\n0.772609 0.522096 0.000001 O\n0.477904 0.250513 0.477905 O\n0.477904 0.477904 0.250513 O\n0.522096 0.772609 0.000001 O\n0.522096 0.000000 0.772609 O\n0.250513 0.477904 0.477905 O\n0.227391 0.749488 0.227391 O\n0.227391 0.227391 0.749487 O\n0.000000 0.772609 0.522096 O\n0.000000 0.522096 0.772609 O\n",
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"structure_string": "Mg6 Al1 Sb1\n1.0\n6.285063 -0.081230 0.000000\n-3.212880 5.564869 0.000000\n0.000000 0.000000 5.157326\nMg Al Sb\n6 1 1\ndirect\n0.668606 0.332507 0.250000 Mg\n0.668606 0.836097 0.250000 Mg\n0.333065 0.176393 0.750001 Mg\n0.333065 0.656675 0.750001 Mg\n0.836829 0.168416 0.750001 Mg\n0.830100 0.665051 0.750001 Mg\n0.163980 0.331991 0.250000 Al\n0.165743 0.832872 0.250000 Sb\n",
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{
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"created_at": "2022-09-04T14:38:43.641476Z",
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"structure_string": "Sn1 H6 C4 O6\n1.0\n4.875641 -0.138950 0.468789\n0.761131 5.066481 0.859974\n-0.097953 0.150295 6.598123\nSn H C O\n1 6 4 6\ndirect\n0.012998 0.821169 0.692724 Sn\n0.344401 0.176693 0.069534 H\n0.230277 0.485503 0.142181 H\n0.681567 0.465628 0.315973 H\n0.795731 0.156842 0.243296 H\n-0.023436 0.157789 0.917400 H\n0.049449 0.484558 0.468045 H\n0.416354 0.355495 0.103959 C\n0.609639 0.286828 0.281522 C\n0.543346 0.493726 0.905567 C\n0.482633 0.148564 0.479893 C\n0.042345 0.968256 0.944370 O\n0.983654 0.674086 0.441073 O\n0.627430 0.062526 0.636217 O\n0.222656 0.128563 0.490563 O\n0.803320 0.513740 0.894870 O\n0.398516 0.579710 0.749251 O\n",
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"structure_string": "Tm1 H9 C5 N2 O8\n1.0\n6.358996 0.099236 1.768384\n2.407522 5.886469 1.768384\n0.116592 0.079608 6.485290\nTm H C N O\n1 9 5 2 8\ndirect\n0.545945 0.454056 -0.000001 Tm\n0.749011 0.805266 0.599649 H\n0.194734 0.250989 0.400349 H\n0.044633 0.703382 0.472588 H\n0.296618 0.955367 0.527411 H\n0.997273 -0.017703 0.176385 H\n0.017703 0.002728 0.823614 H\n0.353849 0.012615 0.113089 H\n-0.012616 0.646152 0.886910 H\n0.634951 0.365050 0.499999 H\n0.478587 0.521413 0.499999 C\n0.006877 0.519386 0.041793 C\n0.480614 0.993123 0.958206 C\n0.019428 0.158821 0.703847 C\n0.841179 0.980572 0.296151 C\n0.878848 0.815714 0.469508 N\n0.184287 0.121152 0.530491 N\n0.397947 0.612370 0.669929 O\n0.387631 0.602053 0.330070 O\n0.531627 0.816702 0.879365 O\n0.183299 0.468373 0.120634 O\n0.645976 0.126713 0.264133 O\n0.873288 0.354025 0.735865 O\n0.857092 0.436106 0.129414 O\n0.563894 0.142909 0.870584 O\n",
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}