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{
"id": "jvasp-101913",
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"updated_at": "2022-09-04T14:36:45.364061Z",
"structure_string": "Zn1 H8 C6 O4\n1.0\n3.956991 -0.042765 -0.233880\n-1.868331 4.535635 -0.268097\n-0.126911 0.024906 9.244768\nZn H C O\n1 8 6 4\ndirect\n0.431675 0.214595 0.785033 Zn\n0.657164 0.542204 0.469729 H\n0.268694 0.567133 0.542323 H\n0.691060 0.986197 0.321003 H\n0.411299 0.462281 0.211251 H\n0.410093 0.925273 0.076652 H\n0.929092 0.781505 0.094758 H\n0.267068 0.954462 0.380920 H\n0.978202 0.428006 0.262595 H\n0.106432 0.502328 0.962513 C\n0.170184 0.724082 0.090743 C\n0.239910 0.588748 0.231859 C\n0.765891 0.930309 0.610479 C\n0.524059 0.695394 0.494133 C\n0.434046 0.826723 0.356539 C\n0.816433 0.262653 0.950512 O\n0.002082 0.872460 0.691125 O\n0.729405 0.178363 0.623018 O\n0.360640 0.556791 0.876902 O\n",
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{
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"structure_string": "Zn1 H8 C6 O4\n1.0\n4.022180 -0.029251 0.630223\n1.945798 4.049325 0.650372\n-0.230859 -0.229248 9.914951\nZn H C O\n1 8 6 4\ndirect\n0.243229 0.085911 0.213176 Zn\n0.588322 0.225457 0.362519 H\n0.080216 0.240197 0.543389 H\n0.457847 0.748575 0.641383 H\n0.885724 0.300946 0.791176 H\n0.372108 0.777598 0.908183 H\n0.639241 -0.005479 0.890385 H\n0.736422 0.959713 0.627903 H\n0.173168 0.500147 0.778822 H\n0.806469 0.590001 0.036610 C\n0.658854 0.743888 0.901070 C\n0.884202 0.545587 0.779454 C\n0.101769 0.618190 0.409462 C\n0.985620 0.504827 0.528047 C\n0.744753 0.712283 0.641544 C\n0.027092 0.284396 0.041772 O\n0.001641 0.929690 0.365347 O\n0.364220 0.390345 0.316606 O\n0.724425 0.756354 0.141415 O\n",
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{
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"created_at": "2022-09-04T14:38:41.935612Z",
"updated_at": "2022-09-04T14:38:41.935639Z",
"structure_string": "Zn1 H8 C6 O4\n1.0\n4.057300 0.235281 0.158963\n1.441686 4.134755 0.902341\n0.308391 0.207759 10.236466\nZn H C O\n1 8 6 4\ndirect\n0.812364 0.031039 0.223845 Zn\n0.468331 0.620007 0.528730 H\n-0.001392 0.745477 0.518969 H\n0.516257 0.035910 0.641526 H\n0.504948 0.433326 0.780247 H\n0.528036 0.845794 0.885763 H\n0.066898 0.014725 0.908935 H\n0.047459 0.176837 0.643423 H\n0.036583 0.577356 0.785660 H\n0.394958 0.118149 0.032300 C\n0.305316 0.074601 0.899222 C\n0.277922 0.357810 0.778502 C\n0.299086 0.412345 0.393417 C\n0.251205 0.533169 0.522929 C\n0.272874 0.254866 0.646363 C\n0.603367 0.269490 0.035332 O\n0.059996 0.536534 0.301663 O\n0.595955 0.172070 0.386113 O\n0.307531 0.966804 0.143239 O\n",
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"formula_full": "Zn1 H8 C6 O4",
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{
"id": "jvasp-103914",
"created_at": "2022-09-04T14:36:39.940491Z",
"updated_at": "2022-09-04T14:36:39.940507Z",
"structure_string": "Zn1 H8 C6 O4\n1.0\n3.589873 0.089541 -0.091210\n1.465503 4.300707 0.081731\n0.313855 0.098992 9.794848\nZn H C O\n1 8 6 4\ndirect\n0.007379 0.776940 0.202439 Zn\n0.814945 0.547226 0.547970 H\n0.318347 0.629683 0.509670 H\n0.874401 0.014198 0.648525 H\n0.644204 0.476864 0.802485 H\n0.708602 0.925035 0.895583 H\n0.212487 0.006543 0.856861 H\n0.382337 0.077644 0.602745 H\n0.152139 0.540235 0.756661 H\n0.310029 0.250850 0.023631 C\n0.425772 0.120428 0.883297 C\n0.444457 0.355767 0.770516 C\n0.714831 0.303183 0.381423 C\n0.600874 0.433891 0.521810 C\n0.582136 0.198737 0.634673 C\n0.137099 0.546426 0.030889 O\n0.637656 0.495654 0.277747 O\n0.886563 0.007482 0.374143 O\n0.386071 0.058230 0.127252 O\n",
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{
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"structure_string": "Zn2 H16 C8 O16\n1.0\n4.354798 6.734920 -0.699570\n-4.354798 6.734920 0.699570\n0.022317 0.000000 6.599075\nZn H C O\n2 16 8 16\ndirect\n0.500000 -0.000000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Zn\n0.488115 0.759853 0.253876 H\n0.759853 0.488114 0.246124 H\n0.511886 0.240146 0.746123 H\n0.240147 0.511885 0.753876 H\n0.712004 0.417062 0.045557 H\n0.417062 0.712004 0.454443 H\n0.287996 0.582938 0.954442 H\n0.582939 0.287996 0.545557 H\n0.151136 0.350991 0.389769 H\n0.649009 0.848864 0.889769 H\n0.848864 0.649008 0.610230 H\n0.553375 0.145053 0.122383 H\n0.145053 0.553375 0.377617 H\n0.446625 0.854947 0.877616 H\n0.854947 0.446624 0.622382 H\n0.350991 0.151136 0.110231 H\n0.132617 0.900872 0.003336 C\n0.867383 0.099128 0.996663 C\n0.099128 0.867382 0.503336 C\n0.900872 0.132617 0.496663 C\n0.900352 0.949046 0.504425 C\n0.050954 0.099648 0.004425 C\n0.099648 0.050954 0.495574 C\n0.949047 0.900351 0.995574 C\n0.216660 0.705603 0.505924 O\n0.294397 0.783340 0.005924 O\n0.783340 0.294397 0.494076 O\n0.880487 0.784382 0.989654 O\n0.784383 0.880486 0.510345 O\n0.119514 0.215618 0.010345 O\n0.215618 0.119513 0.489654 O\n0.514057 0.746751 0.403884 O\n0.253249 0.485943 0.903884 O\n0.485943 0.253248 0.596115 O\n0.098985 0.473371 0.307558 O\n0.473372 0.098985 0.192442 O\n0.901015 0.526628 0.692442 O\n0.526629 0.901015 0.807557 O\n0.746752 0.514057 0.096116 O\n0.705603 0.216660 0.994075 O\n",
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"formula_full": "Zn2 H16 C8 O16",
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"spacegroup": 15
},
{
"id": "jvasp-33028",
"created_at": "2022-09-04T14:37:32.497883Z",
"updated_at": "2022-09-04T14:37:32.497905Z",
"structure_string": "Zn1 H8 N4 Cl2\n1.0\n4.320118 3.963358 -1.230077\n-4.320118 3.963358 1.230077\n-0.021841 0.000000 4.138302\nZn H N Cl\n1 8 4 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.003350 0.323952 0.452048 H\n0.676048 0.996651 0.452048 H\n0.996651 0.676048 0.547952 H\n0.323952 0.003350 0.547952 H\n0.255375 0.364030 0.709244 H\n0.635970 0.744625 0.709244 H\n0.744625 0.635970 0.290756 H\n0.364030 0.255375 0.290756 H\n0.139975 0.242898 0.606578 N\n0.757102 0.860025 0.606578 N\n0.860025 0.757102 0.393421 N\n0.242898 0.139975 0.393421 N\n0.708730 0.291271 0.978195 Cl\n0.291271 0.708730 0.021805 Cl\n",
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"elements": [
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"N",
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],
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{
"id": "jvasp-114696",
"created_at": "2022-09-04T14:38:42.960790Z",
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"structure_string": "Zn1 H1 C1\n1.0\n3.473288 0.000000 -0.000000\n-1.736644 3.007955 0.000000\n-0.000000 0.000000 2.770536\nZn H C\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Zn\n0.333334 0.666668 0.000000 H\n0.000000 0.000000 0.000000 C\n",
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{
"id": "jvasp-114694",
"created_at": "2022-09-04T14:38:42.740808Z",
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"structure_string": "Zn1 H1 C2\n1.0\n3.035866 -0.000000 -0.000000\n-0.000000 3.035866 -0.000000\n-0.000000 -0.000000 3.831722\nZn H C\n1 1 2\ndirect\n0.500001 0.500001 0.383968 Zn\n0.000000 0.000000 0.015637 H\n0.000000 0.000000 0.732290 C\n0.500001 0.500001 0.878104 C\n",
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{
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"structure_string": "Zn2 H2 Cl2\n1.0\n3.604224 -0.000000 -0.000000\n-1.802112 3.121349 0.000000\n0.000000 0.000000 10.289467\nZn H Cl\n2 2 2\ndirect\n0.333332 0.666667 0.725689 Zn\n0.666665 0.333333 0.274312 Zn\n0.333332 0.666667 0.577415 H\n0.666665 0.333333 0.422586 H\n0.333332 0.666667 0.147709 Cl\n0.666665 0.333333 0.852292 Cl\n",
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{
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"structure_string": "Zn2 H2 Cl2\n1.0\n3.253048 0.000000 -0.000000\n0.000000 3.253048 0.000000\n-0.000000 -0.000000 7.824261\nZn H Cl\n2 2 2\ndirect\n0.000000 0.500000 0.852596 Zn\n0.500000 0.000000 0.147404 Zn\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.500000 0.000000 0.681466 Cl\n0.000000 0.500000 0.318535 Cl\n",
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},
{
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"structure_string": "Zn1 H1 Cl1\n1.0\n4.234911 -0.000000 -0.000000\n-2.117456 3.667541 0.000000\n0.000000 -0.000000 3.579814\nZn H Cl\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Zn\n0.333334 0.666667 0.000000 H\n0.000000 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-39555",
"created_at": "2022-09-04T14:37:51.182899Z",
"updated_at": "2022-09-04T14:37:51.182920Z",
"structure_string": "Zn1 Hg3\n1.0\n-2.136321 2.136321 5.402962\n2.136321 -2.136321 5.402962\n2.136321 2.136321 -5.402962\nZn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250001 0.500000 Hg\n0.250001 0.750000 0.500000 Hg\n0.499999 0.499999 0.000000 Hg\n",
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}
]
}