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{
"id": "jvasp-103901",
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"structure_string": "Al1 H6 C5 Cl1 O4\n1.0\n5.118396 0.046620 1.105424\n-0.075029 5.295854 2.726600\n-0.085888 -0.227230 6.285874\nAl H C Cl O\n1 6 5 1 4\ndirect\n0.238677 0.900178 0.529172 Al\n0.750984 0.557572 0.502027 H\n0.803664 0.283918 0.456094 H\n0.119549 0.551619 0.060661 H\n0.970441 0.812529 0.103490 H\n0.525580 0.612411 0.153305 H\n0.703126 0.399435 0.055950 H\n0.891279 0.460197 0.416338 C\n0.941804 0.617482 0.142988 C\n0.140379 0.408731 0.515021 C\n0.692299 0.760790 0.792124 C\n0.708681 0.589109 0.045147 C\n0.351882 0.071631 0.141215 Cl\n0.257742 0.200241 0.558727 O\n0.472537 0.778966 0.730055 O\n0.889809 0.878159 0.643055 O\n0.244466 0.574453 0.547504 O\n",
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{
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"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n5.032582 -0.030513 0.212828\n0.800615 6.453481 1.987840\n0.146263 -0.043028 9.148401\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.002348 0.682355 0.914988 Al\n0.771364 0.365385 0.380037 H\n0.486947 0.597098 0.490371 H\n0.649524 0.410852 0.644520 H\n0.226415 0.222171 0.697692 H\n0.075821 0.416045 0.544958 H\n0.731122 0.809320 0.248900 H\n0.448187 0.946493 0.310883 H\n0.440462 0.317646 0.366156 H\n0.866636 0.787577 0.490466 H\n0.810886 0.056488 0.621977 H\n0.497728 0.995354 0.580378 H\n0.361676 0.090729 0.017187 H\n0.579631 0.273539 0.908113 H\n0.612686 0.283573 0.163360 H\n0.914072 0.151747 0.117517 H\n0.013567 0.008431 0.383307 H\n0.569787 0.125321 0.996165 C\n0.699679 0.138678 0.141957 C\n0.675879 0.070418 0.527794 C\n0.819145 0.949415 0.421966 C\n0.663395 0.952086 0.280916 C\n0.502584 0.432647 0.555427 C\n0.598324 0.300635 0.448229 C\n0.135634 0.510006 0.738713 C\n0.728697 0.961171 0.940695 C\n0.230746 0.385546 0.631800 C\n0.145444 0.530825 0.139300 Cl\n0.251673 0.663395 0.752094 O\n0.980462 0.968756 0.901166 O\n0.639517 0.791201 0.940744 O\n0.929669 0.469955 0.828617 O\n",
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{
"id": "jvasp-103898",
"created_at": "2022-09-04T14:37:02.015206Z",
"updated_at": "2022-09-04T14:37:02.015223Z",
"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n4.757365 -0.013961 0.833531\n0.641731 6.436852 2.552180\n0.043223 -0.203279 9.248469\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.143802 0.746251 0.902399 Al\n0.349397 0.276375 0.390406 H\n0.502815 0.512411 0.495959 H\n0.532435 0.319064 0.676522 H\n-0.008337 0.299158 0.707497 H\n0.982992 0.524957 0.542660 H\n0.824079 0.201320 0.174403 H\n0.926281 0.951417 0.163428 H\n0.301984 0.084134 0.574583 H\n0.638808 0.836929 0.456684 H\n0.872384 0.243181 0.411572 H\n0.812642 0.048030 0.593593 H\n0.241290 0.169215 0.980086 H\n0.572670 0.272219 0.955398 H\n0.421579 0.875493 0.220928 H\n0.315029 0.123813 0.234569 H\n0.001376 0.875271 0.414049 H\n0.462594 0.131299 0.000795 C\n0.478863 0.035143 0.178758 C\n0.739033 0.117604 0.478715 C\n0.788168 0.954553 0.397500 C\n0.768229 0.040960 0.221530 C\n0.407880 0.374745 0.578615 C\n0.432626 0.208810 0.502205 C\n0.090804 0.562942 0.742392 C\n0.601587 0.983329 0.918768 C\n0.102316 0.435801 0.639897 C\n0.175300 0.561151 0.141909 Cl\n0.274941 0.695094 0.714141 O\n0.875399 0.959750 0.897593 O\n0.460534 0.882262 0.872217 O\n0.916846 0.545714 0.866384 O\n",
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{
"id": "jvasp-103899",
"created_at": "2022-09-04T14:36:57.743264Z",
"updated_at": "2022-09-04T14:36:57.743289Z",
"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n4.948689 0.016146 0.309410\n0.754949 6.650198 2.483113\n0.003477 -0.080972 8.847301\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.965412 0.710590 0.907961 Al\n0.300684 0.217264 0.418245 H\n0.465010 0.520317 0.443348 H\n0.552985 0.387679 0.644786 H\n0.030034 0.300492 0.665980 H\n-0.011260 0.524536 0.501607 H\n0.631186 0.821641 0.247080 H\n0.362576 0.973116 0.303230 H\n0.364662 0.081697 0.622045 H\n0.664090 0.816119 0.530679 H\n0.811343 0.247081 0.374180 H\n0.859930 0.095856 0.576091 H\n0.317193 0.122407 0.987747 H\n0.561013 0.291509 0.884269 H\n0.563895 0.281758 0.154533 H\n0.870580 0.146250 0.119212 H\n0.957414 0.886537 0.408513 H\n0.532849 0.146017 0.974927 C\n0.649018 0.142079 0.134574 C\n0.727189 0.127015 0.473203 C\n0.741951 0.936045 0.428357 C\n0.583595 0.959816 0.277870 C\n0.411333 0.397542 0.551286 C\n0.438555 0.199283 0.516233 C\n0.066475 0.553811 0.721795 C\n0.691327 0.984905 0.924725 C\n0.117021 0.441670 0.606367 C\n0.111873 0.550115 0.144742 Cl\n0.205521 0.690310 0.732151 O\n0.948761 -0.012202 0.884981 O\n0.597086 0.822314 0.931425 O\n0.865713 0.517161 0.824244 O\n",
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{
"id": "jvasp-33066",
"created_at": "2022-09-04T14:37:05.844149Z",
"updated_at": "2022-09-04T14:37:05.844173Z",
"structure_string": "Al2 H4 Pb2 O4 F6\n1.0\n6.030958 -0.019018 -1.932715\n-1.849636 6.645838 -0.074849\n-0.028829 -0.002904 5.038718\nAl H Pb O F\n2 4 2 4 6\ndirect\n0.189398 0.672751 0.160066 Al\n0.810602 0.327249 0.839935 Al\n0.182748 0.468853 0.727372 H\n0.817252 0.531147 0.272629 H\n0.145196 0.858280 0.723652 H\n0.854803 0.141721 0.276349 H\n0.688089 0.806866 0.795987 Pb\n0.311911 0.193134 0.204014 Pb\n0.895407 0.142367 0.101460 O\n0.104593 0.857633 0.898541 O\n0.134350 0.447622 0.896871 O\n0.865650 0.552378 0.103130 O\n0.492710 0.766375 0.189878 F\n0.215636 0.864965 0.432093 F\n0.784364 0.135036 0.567909 F\n0.264858 0.511134 0.445821 F\n0.735141 0.488866 0.554180 F\n0.507289 0.233625 0.810123 F\n",
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{
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"created_at": "2022-09-04T14:37:08.124027Z",
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"structure_string": "Al2 Zn2 H8 O4 F10\n1.0\n5.658254 -0.000000 2.998557\n1.772758 5.996645 3.492639\n-0.170962 0.005293 7.160425\nAl Zn H O F\n2 2 8 4 10\ndirect\n0.500000 0.500000 0.000001 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 -0.000000 0.000000 Zn\n0.000001 0.499999 0.500000 Zn\n0.285318 0.700923 0.482371 H\n0.031389 0.982370 0.200924 H\n0.968611 0.017628 0.799077 H\n0.968611 0.799076 0.017630 H\n0.714682 0.299076 0.517629 H\n0.285318 0.482370 0.700923 H\n0.031389 0.200923 0.982371 H\n0.714682 0.517628 0.299077 H\n0.862463 0.931072 0.931074 O\n0.775390 0.431073 0.431074 O\n0.224611 0.568926 0.568926 O\n0.137537 0.068926 0.068926 O\n0.819012 0.410667 0.845307 F\n0.180988 0.589331 0.154693 F\n0.180988 0.154692 0.589332 F\n0.574987 0.089331 0.654693 F\n0.574987 0.654692 0.089332 F\n0.425013 0.910667 0.345307 F\n0.557327 0.250000 0.250000 F\n0.442674 0.749999 0.750000 F\n0.425013 0.345306 0.910668 F\n0.819012 0.845306 0.410669 F\n",
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{
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"structure_string": "As2 C2 S6 N4 F22\n1.0\n5.673704 -0.132580 -0.519699\n-1.878526 7.079632 -0.897658\n0.353097 -0.362402 12.491954\nAs C S N F\n2 2 6 4 22\ndirect\n0.514396 0.776121 0.817783 As\n0.485603 0.223879 0.182216 As\n0.045868 0.744981 0.271492 C\n0.954132 0.255019 0.728507 C\n0.180876 0.747369 0.409718 S\n0.819124 0.252631 0.590281 S\n0.834086 0.832129 0.121305 S\n0.917180 0.417730 0.839273 S\n0.165913 0.167871 0.878695 S\n0.082820 0.582270 0.160726 S\n0.922379 0.861665 0.250725 N\n0.060059 0.339688 0.927707 N\n0.077620 0.138335 0.749274 N\n0.939940 0.660312 0.072292 N\n0.701359 0.257028 0.472635 F\n0.187819 0.966065 0.447668 F\n0.652009 0.781995 0.696759 F\n0.534254 0.477120 0.200426 F\n0.452281 0.814422 0.370529 F\n0.616497 0.230868 0.056892 F\n0.298641 0.742972 0.527365 F\n0.820505 0.473493 0.628400 F\n0.547718 0.185578 0.629470 F\n0.777966 0.255026 0.249958 F\n0.222033 0.744974 0.750041 F\n0.347991 0.218004 0.303240 F\n0.432028 0.970558 0.161644 F\n0.806679 0.811159 0.892190 F\n0.909646 0.678019 0.446734 F\n0.179494 0.526507 0.371600 F\n0.465745 0.522880 0.799574 F\n0.567971 0.029442 0.838355 F\n0.383503 0.769132 0.943108 F\n0.193320 0.188840 0.107809 F\n0.812180 0.033935 0.552331 F\n0.090353 0.321981 0.553265 F\n",
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{
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"structure_string": "As2 H10 C2 O2 F12\n1.0\n4.729865 0.000000 -0.639310\n0.000000 7.124299 0.000000\n0.073481 0.000000 8.464742\nAs H C O F\n2 10 2 2 12\ndirect\n0.933144 0.750000 0.700243 As\n0.066855 0.250000 0.299756 As\n0.608715 0.376493 0.925901 H\n0.583357 0.366925 0.646802 H\n0.583357 0.133075 0.646802 H\n0.416642 0.866925 0.353198 H\n0.091353 0.750000 0.132693 H\n0.416642 0.633075 0.353198 H\n0.608715 0.123507 0.925901 H\n0.391284 0.876493 0.074099 H\n0.908646 0.250000 0.867307 H\n0.391284 0.623507 0.074099 H\n0.679871 0.250000 0.870010 C\n0.320127 0.750000 0.129989 C\n0.534924 0.250000 0.704346 O\n0.465075 0.750000 0.295654 O\n0.159678 0.929866 0.781806 F\n0.090401 0.750000 0.523334 F\n0.159678 0.570134 0.781806 F\n0.757885 0.750000 0.871937 F\n0.840321 0.070134 0.218194 F\n0.314960 0.422409 0.388585 F\n0.909598 0.250000 0.476666 F\n0.685038 0.577591 0.611415 F\n0.242114 0.250000 0.128062 F\n0.840321 0.429866 0.218194 F\n0.685038 0.922409 0.611415 F\n0.314960 0.077591 0.388585 F\n",
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{
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"updated_at": "2022-09-04T14:36:35.589610Z",
"structure_string": "As4 Pb8 S12 I2 Cl2\n1.0\n6.723105 0.000000 0.000000\n0.000000 9.505021 0.000000\n0.000000 0.000000 11.668810\nAs Pb S I Cl\n4 8 12 2 2\ndirect\n0.500000 0.951416 0.172848 As\n0.000000 0.451416 0.827152 As\n0.500000 0.521620 0.671820 As\n0.000000 0.021620 0.328180 As\n0.500000 0.177987 0.874240 Pb\n0.000000 0.272787 0.570737 Pb\n0.500000 0.717167 0.915363 Pb\n0.000000 0.791781 0.624607 Pb\n0.500000 0.772787 0.429263 Pb\n0.000000 0.677987 0.125760 Pb\n0.500000 0.291782 0.375393 Pb\n0.000000 0.217168 0.084637 Pb\n0.248759 0.905830 0.046284 S\n0.000000 0.784669 0.349659 S\n0.751142 0.070396 0.455991 S\n0.500000 0.284669 0.650341 S\n0.500000 0.189353 0.151361 S\n0.251241 0.405830 0.953716 S\n0.248859 0.070396 0.455991 S\n0.000000 0.689353 0.848639 S\n0.748859 0.570396 0.544009 S\n0.251141 0.570396 0.544009 S\n0.748759 0.405830 0.953716 S\n0.751242 0.905830 0.046284 S\n0.000000 0.083049 0.794799 I\n0.500000 0.583049 0.205201 I\n0.500000 0.876027 0.709066 Cl\n0.000000 0.376027 0.290934 Cl\n",
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{
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"structure_string": "B1 H6 C1 N3 F4\n1.0\n5.119907 -0.125189 -0.125387\n-0.133231 5.119703 -0.125387\n-0.133231 -0.133441 5.119498\nB H C N F\n1 6 1 3 4\ndirect\n0.421270 0.421269 0.421270 B\n0.744384 0.979407 0.297426 H\n0.979411 0.744382 0.297426 H\n0.297427 0.979405 0.744382 H\n0.979411 0.297425 0.744382 H\n0.297427 0.744384 0.979406 H\n0.744384 0.297428 0.979406 H\n0.008719 0.008719 0.008721 C\n0.905145 0.905143 0.217278 N\n0.905145 0.217278 0.905143 N\n0.217280 0.905143 0.905143 N\n0.465992 0.465992 0.154736 F\n0.465991 0.154736 0.465990 F\n0.154737 0.465992 0.465990 F\n0.587285 0.587286 0.587284 F\n",
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