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"structure_string": "Ti1 H10 C6 O4\n1.0\n4.887312 -0.106809 0.032836\n1.889750 5.712987 1.681233\n-0.043366 0.215934 6.771230\nTi H C O\n1 10 6 4\ndirect\n0.656470 0.192550 0.290577 Ti\n0.223785 0.461776 0.708520 H\n0.717833 0.096186 0.910653 H\n0.499918 0.676883 0.841043 H\n0.181178 0.881377 0.869406 H\n0.896467 0.678196 0.702122 H\n0.918157 0.504024 0.394954 H\n0.725832 0.355840 0.590843 H\n0.531893 0.596282 0.369759 H\n0.958556 0.864159 0.118986 H\n0.579638 0.900378 0.109251 H\n0.744815 -0.007173 0.075630 C\n0.727004 0.444997 0.423128 C\n0.077827 0.447664 0.003383 C\n0.268196 0.929481 0.560574 C\n0.277160 0.765748 0.775824 C\n0.109786 0.590394 0.786141 C\n0.851241 0.395811 0.041784 O\n0.051904 0.990560 0.432348 O\n0.485914 0.006642 0.518681 O\n0.295618 0.377118 0.141819 O\n",
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{
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"structure_string": "Na1 Ca2 Be1\n1.0\n-2.684878 2.684878 3.783650\n2.684878 -2.684878 3.783650\n2.684878 2.684878 -3.783650\nNa Ca Be\n1 2 1\ndirect\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.750000 0.250000 0.500000 Be\n",
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{
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"created_at": "2022-09-04T14:37:10.913089Z",
"updated_at": "2022-09-04T14:37:10.913123Z",
"structure_string": "Na1 C1 N1\n1.0\n5.468879 0.124511 0.104537\n2.680332 2.997644 -0.658044\n2.680332 -0.129211 3.066299\nNa C N\n1 1 1\ndirect\n-0.000001 0.015702 0.984299 Na\n0.499999 0.112984 0.887017 C\n0.500000 0.871314 0.128687 N\n",
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{
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"created_at": "2022-09-04T14:36:51.048314Z",
"updated_at": "2022-09-04T14:36:51.048323Z",
"structure_string": "H6 C10 S2 O1\n1.0\n3.889310 -0.024173 -0.071021\n1.318838 5.327402 0.888266\n-0.174356 -0.087545 9.660729\nH C S O\n6 10 2 1\ndirect\n0.094070 0.728959 0.986840 H\n0.500615 0.102886 0.174688 H\n0.509386 0.866375 0.821462 H\n0.752673 0.076486 0.433215 H\n0.254900 0.898136 0.564021 H\n0.719960 0.660780 0.060822 H\n0.992113 0.383615 0.945579 C\n0.996970 0.573554 0.044488 C\n0.783820 0.478827 0.813198 C\n0.534372 0.508633 0.567673 C\n0.202150 0.479024 0.183745 C\n0.427238 0.729573 0.623038 C\n0.566421 0.712538 0.761422 C\n0.434078 0.253394 0.235795 C\n0.568085 0.240403 0.375256 C\n0.445299 0.456713 0.431338 C\n0.810332 0.279252 0.689342 S\n0.158872 0.678384 0.307844 S\n0.161297 0.161238 0.971995 O\n",
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{
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"created_at": "2022-09-04T14:37:36.546891Z",
"updated_at": "2022-09-04T14:37:36.546912Z",
"structure_string": "Zn1 B2 C8 N8\n1.0\n7.498800 -0.000000 -0.000000\n-3.749400 6.494152 -0.000000\n-0.000000 0.000000 5.898013\nZn B C N\n1 2 8 8\ndirect\n0.000000 0.000000 0.500000 Zn\n0.666667 0.333333 0.131697 B\n0.333333 0.666667 0.868303 B\n0.333333 0.666667 0.136606 C\n0.218503 0.437006 0.775864 C\n0.562994 0.781497 0.775864 C\n0.218503 0.781497 0.775864 C\n0.437006 0.218503 0.224136 C\n0.781497 0.218503 0.224136 C\n0.666667 0.333333 0.863393 C\n0.781497 0.562994 0.224136 C\n0.864920 0.135080 0.292998 N\n0.666667 0.333333 0.666513 N\n0.270161 0.135080 0.292998 N\n0.729838 0.864920 0.707001 N\n0.135080 0.864920 0.707001 N\n0.333333 0.666667 0.333487 N\n0.135080 0.270161 0.707001 N\n0.864920 0.729838 0.292998 N\n",
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{
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"created_at": "2022-09-04T14:38:42.521184Z",
"updated_at": "2022-09-04T14:38:42.521209Z",
"structure_string": "Al1 H6 C5 Cl1 O4\n1.0\n4.677305 -0.025715 1.238956\n0.260252 5.906839 0.338095\n-0.034912 -0.213391 6.762421\nAl H C Cl O\n1 6 5 1 4\ndirect\n0.074651 0.687940 0.440232 Al\n0.517413 0.267184 0.574967 H\n0.802016 0.101539 0.634754 H\n0.423508 0.893664 0.908390 H\n0.157274 0.076371 0.844546 H\n0.512761 0.399437 0.898937 H\n0.619861 0.194485 0.056191 H\n0.576338 0.101072 0.632849 C\n0.382232 0.064052 0.850288 C\n0.534609 0.928245 0.488041 C\n0.194312 0.324403 0.159880 C\n0.441672 0.246623 0.988212 C\n0.015944 0.555692 0.743212 Cl\n0.728632 0.778429 0.409177 O\n0.252055 0.515001 0.241203 O\n0.967859 0.229558 0.220320 O\n0.288799 0.926134 0.448217 O\n",
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{
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"created_at": "2022-09-04T14:36:10.056121Z",
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"structure_string": "Ca6 Mg2\n1.0\n7.374897 0.000000 -0.000000\n-3.687448 6.386848 -0.000000\n-0.000000 0.000000 5.974995\nCa Mg\n6 2\ndirect\n0.169880 0.830121 0.749999 Ca\n0.660241 0.830121 0.749999 Ca\n0.169880 0.339759 0.749999 Ca\n0.830121 0.169880 0.250000 Ca\n0.830121 0.660241 0.250000 Ca\n0.339760 0.169880 0.250000 Ca\n0.666667 0.333333 0.749999 Mg\n0.333333 0.666667 0.250000 Mg\n",
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{
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"structure_string": "C60\n1.0\n8.637989 -0.000000 4.987144\n2.879329 8.143973 4.987144\n-0.000000 -0.000000 9.974290\nC\n60\ndirect\n0.704306 0.398485 0.927644 C\n0.197122 0.969178 0.601058 C\n0.197545 0.802455 0.703198 C\n0.197122 0.232642 0.969178 C\n0.295694 0.601515 0.072355 C\n0.703198 0.197545 0.802454 C\n0.767358 0.398942 0.030821 C\n0.969179 0.197122 0.232641 C\n0.802878 0.398942 0.767358 C\n0.927645 0.969564 0.704305 C\n0.802878 0.030822 0.398942 C\n0.802455 0.197545 0.296801 C\n0.969179 0.601058 0.197121 C\n0.030822 0.398942 0.802878 C\n0.197545 0.296802 0.802455 C\n0.704307 0.969564 0.398485 C\n0.927645 0.398485 0.969563 C\n0.232642 0.969178 0.197121 C\n0.802455 0.703198 0.197544 C\n0.197545 0.703198 0.296802 C\n0.072355 0.030436 0.295694 C\n0.601515 0.072355 0.295693 C\n0.802878 0.767358 0.030821 C\n0.030822 0.767358 0.398942 C\n0.969564 0.704306 0.927644 C\n0.232642 0.197122 0.601058 C\n0.296802 0.802455 0.197545 C\n0.197122 0.601058 0.232641 C\n0.030822 0.802878 0.767358 C\n0.295694 0.072355 0.030436 C\n0.398942 0.767358 0.802878 C\n0.030436 0.072355 0.601515 C\n0.767359 0.802878 0.398941 C\n0.398485 0.927644 0.704306 C\n0.030436 0.295694 0.072355 C\n0.601058 0.969178 0.232641 C\n0.927645 0.704306 0.398484 C\n0.601058 0.232642 0.197122 C\n0.703198 0.296802 0.197545 C\n0.601058 0.197122 0.969178 C\n0.030436 0.601515 0.295693 C\n0.398942 0.802878 0.030821 C\n0.703198 0.802455 0.296801 C\n0.072356 0.601515 0.030436 C\n0.704307 0.927644 0.969563 C\n0.072356 0.295694 0.601515 C\n0.232642 0.601058 0.969178 C\n0.398485 0.969564 0.927644 C\n0.601515 0.030436 0.072355 C\n0.601515 0.295694 0.030436 C\n0.767358 0.030822 0.802878 C\n0.295694 0.030436 0.601515 C\n0.296802 0.197545 0.703198 C\n0.969179 0.232642 0.601057 C\n0.398942 0.030822 0.767358 C\n0.969564 0.398485 0.704306 C\n0.969564 0.927644 0.398484 C\n0.296802 0.703198 0.802455 C\n0.398485 0.704306 0.969563 C\n0.802455 0.296802 0.703198 C\n",
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{
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}