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{
"id": "jvasp-103922",
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"structure_string": "Zn1 H10 C7 O4\n1.0\n3.984261 -0.089927 0.998567\n2.263632 3.978225 0.677652\n0.191073 -0.356537 11.654953\nZn H C O\n1 10 7 4\ndirect\n0.820449 0.869417 0.816495 Zn\n0.266747 0.101557 0.430833 H\n0.417003 0.121091 0.200851 H\n0.926301 0.307339 0.202311 H\n0.799469 0.781837 0.323888 H\n0.290810 0.598431 0.320292 H\n0.437768 0.637361 0.102249 H\n0.954643 0.817017 0.099565 H\n0.134685 0.624048 0.534865 H\n0.645169 0.758629 0.556720 H\n0.772635 0.286696 0.438043 H\n0.929760 0.341385 0.659839 C\n0.927569 0.533194 0.544562 C\n0.006289 0.343394 0.433721 C\n0.060364 0.539545 0.320947 C\n0.156448 0.362712 0.204891 C\n0.213252 0.575572 0.098212 C\n0.331328 0.432629 0.975178 C\n0.282866 0.635823 0.888611 O\n0.980338 0.426623 0.750198 O\n0.884807 0.085476 0.661800 O\n0.488807 0.117540 0.964355 O\n",
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{
"id": "jvasp-101925",
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"structure_string": "Zn1 H16 C10 O4\n1.0\n3.876379 0.114344 0.305025\n1.738024 4.387864 0.236757\n-0.359835 0.247440 14.610310\nZn H C O\n1 16 10 4\ndirect\n0.201789 0.945329 0.165914 Zn\n0.263772 0.180822 0.525480 H\n0.407663 0.684388 0.949372 H\n0.919001 0.825865 0.952659 H\n0.313565 0.694544 0.766270 H\n0.831704 0.787131 0.787354 H\n0.175753 0.685212 0.590724 H\n0.704861 0.755017 0.620817 H\n0.014601 0.653843 0.418676 H\n0.553141 0.706819 0.454173 H\n0.462631 0.215035 0.869761 H\n0.981824 0.304689 0.887420 H\n0.386254 0.205575 0.694387 H\n0.915293 0.274226 0.722699 H\n0.127985 0.133160 0.359640 H\n0.684280 0.167611 0.400383 H\n0.801600 0.237191 0.559748 H\n0.171358 0.457808 0.048131 C\n0.172285 0.609816 0.953814 C\n0.187261 0.409832 0.873847 C\n0.106882 0.591314 0.781864 C\n0.104973 0.391476 0.703261 C\n0.839173 0.530410 0.444283 C\n0.979557 0.361188 0.535996 C\n0.842501 0.304729 0.373217 C\n0.674536 0.439207 0.281487 C\n0.986267 0.569398 0.611701 C\n0.054655 0.625341 0.117402 O\n0.721955 0.258243 0.216410 O\n0.476195 0.729771 0.275087 O\n0.278379 0.163561 0.053081 O\n",
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"formula_full": "Zn1 H16 C10 O4",
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{
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"created_at": "2022-09-04T14:38:42.961110Z",
"updated_at": "2022-09-04T14:38:42.961131Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n3.830465 0.155151 0.596362\n1.672586 4.403245 0.175033\n0.700668 -0.136503 14.872215\nZn H C O\n1 16 10 4\ndirect\n0.618993 0.100428 0.169278 Zn\n0.212743 0.865333 0.529066 H\n0.643550 0.355863 0.950651 H\n0.126590 0.219935 0.956499 H\n0.925404 0.347329 0.768510 H\n0.383662 0.259047 0.791483 H\n0.235160 0.359397 0.593978 H\n0.676197 0.290728 0.624710 H\n0.562470 0.392254 0.422320 H\n0.990616 0.338972 0.457714 H\n0.666291 0.827950 0.871826 H\n0.126789 0.742575 0.891626 H\n0.923031 0.839256 0.697429 H\n0.365571 0.771416 0.726648 H\n0.509167 0.913532 0.363248 H\n0.915179 0.878338 0.403711 H\n0.642604 0.808163 0.563395 H\n0.771125 0.587322 0.051035 C\n0.871242 0.434053 0.956550 C\n0.937549 0.634890 0.876907 C\n0.113984 0.453167 0.785087 C\n0.194961 0.653674 0.706724 C\n0.714518 0.515596 0.447850 C\n0.486189 0.684530 0.539605 C\n0.781298 0.741570 0.376693 C\n0.036862 0.607298 0.284869 C\n0.404156 0.475927 0.615273 C\n0.816375 0.420359 0.120587 O\n0.051882 0.788547 0.219632 O\n0.241026 0.316765 0.278552 O\n0.656115 0.882141 0.055945 O\n",
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{
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"structure_string": "Zn1 H18 C11 O4\n1.0\n3.979411 0.234580 0.101189\n1.661606 4.552957 0.100246\n-0.033999 -0.217981 15.322809\nZn H C O\n1 18 11 4\ndirect\n0.071730 0.096504 0.160286 Zn\n0.845808 0.781521 0.489524 H\n0.168609 0.320918 0.394463 H\n0.997623 0.182658 0.911028 H\n0.765263 0.233530 0.712695 H\n0.194798 0.203883 0.749050 H\n0.955798 0.276488 0.553980 H\n0.389485 0.241559 0.588866 H\n0.273040 0.754414 0.526296 H\n0.588129 0.184029 0.869505 H\n0.229301 0.662503 0.957134 H\n0.646985 0.644659 0.999388 H\n0.453863 0.698739 0.803298 H\n0.880756 0.675837 0.839286 H\n0.657889 0.740385 0.647184 H\n0.091297 0.704731 0.682075 H\n0.021742 0.831461 0.331147 H\n0.419632 0.840731 0.373283 H\n0.593923 0.304597 0.430630 H\n0.487925 0.307348 0.047033 C\n0.508200 0.507497 0.972912 C\n0.718612 0.331952 0.892474 C\n0.733852 0.538360 0.817945 C\n0.916259 0.367350 0.734531 C\n0.309959 0.459051 0.418241 C\n0.110333 0.407202 0.575909 C\n0.126255 0.619080 0.503042 C\n0.303571 0.685475 0.347880 C\n0.516637 0.559935 0.264101 C\n0.936286 0.573921 0.660511 C\n0.765906 0.064189 0.063080 O\n0.471626 0.727977 0.197351 O\n0.752888 0.287681 0.264171 O\n0.190831 0.391157 0.091719 O\n",
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{
"id": "jvasp-112139",
"created_at": "2022-09-04T14:38:45.406115Z",
"updated_at": "2022-09-04T14:38:45.406141Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n4.185558 -0.325759 -0.252381\n-1.513608 4.391157 -0.020677\n-0.017056 0.123099 15.158224\nZn H C O\n1 18 11 4\ndirect\n0.018338 0.843200 0.844584 Zn\n0.251301 0.751483 0.535034 H\n0.715125 0.289858 0.566083 H\n0.053369 0.842178 0.075180 H\n0.049064 0.035078 0.265584 H\n0.369585 -0.078737 0.227396 H\n0.376123 0.154596 0.415567 H\n0.687366 0.030898 0.376420 H\n0.559144 0.625586 0.494622 H\n0.725447 0.935619 0.117679 H\n0.288564 0.374784 0.069046 H\n0.633335 0.338008 0.014023 H\n0.592680 0.494257 0.223915 H\n-0.082116 0.393979 0.181793 H\n0.908495 0.617647 0.379887 H\n0.222711 0.496013 0.340831 H\n0.655198 0.934498 0.690533 H\n0.919511 0.768026 0.641834 H\n0.022871 0.172474 0.520198 H\n0.455357 0.670024 0.958855 C\n0.533811 0.507259 0.038758 C\n0.802222 0.739097 0.105168 C\n0.844168 0.592937 0.193371 C\n0.116923 0.830709 0.257371 C\n0.785115 0.087973 0.556489 C\n0.439979 0.947432 0.408858 C\n0.494405 0.832151 0.501013 C\n0.866924 0.981172 0.646431 C\n0.295358 0.200734 0.768231 C\n0.158182 0.702371 0.348528 C\n0.695798 0.904280 0.926256 O\n0.576786 0.409026 0.794810 O\n0.180991 0.236522 0.684103 O\n0.140635 0.570931 0.927929 O\n",
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{
"id": "jvasp-101922",
"created_at": "2022-09-04T14:36:53.933192Z",
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"structure_string": "Zn1 H14 C9 O4\n1.0\n4.553613 0.095437 0.552346\n2.460388 4.450586 0.845314\n0.545781 0.252527 12.058698\nZn H C O\n1 14 9 4\ndirect\n0.772006 0.889473 0.831032 Zn\n0.708999 0.012416 0.373557 H\n0.813020 0.712775 0.116463 H\n0.147622 0.657501 0.190883 H\n0.528653 0.567300 0.303935 H\n0.858759 0.529172 0.374745 H\n0.021877 -0.015127 0.450950 H\n0.498409 0.057461 0.572846 H\n0.219073 0.309576 0.000066 H\n0.567885 0.236483 0.072924 H\n0.958313 0.168263 0.184877 H\n0.289800 0.114037 0.259769 H\n0.843235 0.278321 0.617283 H\n0.552708 0.638402 0.543332 H\n0.249523 0.407797 0.487467 H\n0.359213 0.653265 0.960544 C\n0.315432 0.413549 0.045071 C\n0.064795 0.540422 0.146868 C\n0.035736 0.287040 0.230228 C\n0.505249 0.254533 0.518655 C\n0.768781 0.144833 0.418272 C\n0.580848 0.422681 0.591891 C\n0.338096 0.493711 0.696472 C\n0.785394 0.401405 0.332881 C\n0.107132 0.889882 0.914971 O\n0.407764 0.307432 0.788231 O\n0.056602 0.745472 0.688894 O\n0.661378 0.610485 0.938679 O\n",
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{
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"structure_string": "Zn1 H12 C8 O4\n1.0\n3.843271 0.171676 0.255119\n1.646673 4.414282 0.172452\n-0.411211 0.202999 12.132880\nZn H C O\n1 12 8 4\ndirect\n0.560341 0.947015 0.187997 Zn\n0.385813 0.660777 0.493966 H\n0.697477 0.696744 0.920672 H\n0.207482 0.821219 0.932570 H\n0.557602 0.692317 0.702785 H\n0.080463 0.769199 0.735164 H\n0.637121 0.189124 0.622337 H\n0.921398 0.714730 0.535443 H\n0.753564 0.215773 0.828819 H\n0.277308 0.290127 0.857794 H\n0.494217 0.138072 0.421993 H\n0.048265 0.173323 0.469995 H\n0.171813 0.246497 0.662070 H\n0.501638 0.460055 0.044956 C\n0.469594 0.610699 0.930871 C\n0.472453 0.404619 0.836698 C\n0.361701 0.579769 0.726118 C\n0.208784 0.537272 0.524024 C\n0.207535 0.310783 0.437996 C\n0.035936 0.442839 0.327569 C\n0.351662 0.370543 0.634399 C\n0.402186 0.629184 0.128402 O\n0.080925 0.260083 0.249293 O\n0.838164 0.732706 0.319561 O\n0.616926 0.165768 0.051615 O\n",
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{
"id": "jvasp-112134",
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"structure_string": "Zn1 H18 C11 O4\n1.0\n4.062418 0.155758 -0.112071\n1.473371 4.258381 0.184904\n-0.295491 0.252942 16.164816\nZn H C O\n1 18 11 4\ndirect\n0.839760 -0.051768 0.155969 Zn\n0.659654 0.264331 0.504009 H\n0.633627 0.777174 0.428703 H\n0.078420 0.767867 0.890820 H\n0.585866 0.697380 0.744893 H\n0.121834 0.822019 0.733058 H\n0.611528 0.738059 0.585974 H\n0.147172 0.865675 0.575047 H\n0.195421 0.393098 0.492562 H\n0.541359 0.656773 0.904482 H\n0.588547 0.129339 0.975963 H\n0.128441 0.235953 0.959704 H\n0.618702 0.183276 0.819026 H\n0.156154 0.299904 0.805310 H\n0.640250 0.225698 0.661311 H\n0.176357 0.350987 0.649857 H\n0.690675 0.295340 0.347017 H\n0.220813 0.433097 0.332569 H\n0.169189 0.901576 0.415519 H\n0.274082 0.486516 0.051453 C\n0.338463 0.334284 0.969525 C\n0.329177 0.561367 0.895015 C\n0.370215 0.393929 0.813993 C\n0.367241 0.608531 0.737443 C\n0.414445 0.688845 0.421755 C\n0.391244 0.650854 0.579454 C\n0.416107 0.479709 0.499319 C\n0.447236 0.508522 0.342469 C\n0.453767 0.716286 0.266715 C\n0.395264 0.439819 0.656827 C\n0.029496 0.763601 0.050884 O\n0.738782 0.637016 0.229663 O\n0.183017 0.966811 0.244421 O\n0.443644 0.343033 0.118574 O\n",
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{
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"created_at": "2022-09-04T14:38:45.117419Z",
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"structure_string": "Zn1 H20 C12 O4\n1.0\n3.983200 -0.246057 -0.122974\n-1.628679 4.459806 0.303924\n0.365134 1.535071 16.730411\nZn H C O\n1 20 12 4\ndirect\n0.750278 0.952725 0.153803 Zn\n0.172287 0.396382 0.470728 H\n0.042673 0.056819 0.360902 H\n0.259272 0.215904 0.968504 H\n0.137166 0.473058 0.800222 H\n0.507693 0.371868 0.826937 H\n0.415389 0.635224 0.649395 H\n-0.218449 0.534965 0.680854 H\n0.717872 0.841509 0.503423 H\n0.075385 0.729527 0.534438 H\n-0.081297 0.361042 0.963489 H\n0.397253 -0.054620 0.394216 H\n0.344620 0.873463 0.894636 H\n0.725268 0.785494 0.916995 H\n0.577991 0.016669 0.747800 H\n-0.051921 -0.078089 0.778134 H\n0.865647 0.192073 0.609418 H\n0.226088 0.084224 0.639743 H\n0.493034 0.613155 0.327499 H\n0.843558 0.513015 0.367929 H\n0.527923 0.284014 0.502174 H\n0.309820 0.518701 0.052564 C\n0.215349 0.429790 0.969200 C\n0.437043 0.682229 0.900814 C\n0.420749 0.566628 0.819850 C\n0.669608 0.824898 0.755673 C\n0.690088 0.727258 0.673647 C\n0.306660 0.136887 0.389953 C\n-0.012301 -0.076761 0.530172 C\n0.259862 0.202522 0.474595 C\n0.583408 0.421852 0.337273 C\n0.685036 0.367489 0.255967 C\n-0.046705 -0.002026 0.614347 C\n0.213932 0.308859 0.113673 O\n0.859625 0.595984 0.202348 O\n0.603484 0.084829 0.247125 O\n0.498762 0.806418 0.056915 O\n",
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{
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"created_at": "2022-09-04T14:38:43.296868Z",
"updated_at": "2022-09-04T14:38:43.296897Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n3.881028 -0.084298 -0.019486\n2.105076 4.163457 1.063290\n-0.724149 0.042506 15.012832\nZn H C O\n1 16 10 4\ndirect\n0.018128 0.130206 0.842259 Zn\n0.093231 0.664363 0.464362 H\n0.951663 0.673405 0.077819 H\n0.323290 0.746320 0.035593 H\n0.292243 0.441022 0.237169 H\n0.665706 0.531630 0.201719 H\n0.606376 0.239882 0.400399 H\n0.981756 0.335837 0.369767 H\n0.876029 0.047378 0.565289 H\n0.252936 0.149762 0.543678 H\n0.407415 0.080345 0.130443 H\n0.783221 0.167881 0.093929 H\n0.769177 0.863598 0.297345 H\n0.142495 0.961636 0.265331 H\n0.391589 0.460407 0.629260 H\n0.740618 0.600603 0.622164 H\n0.464881 0.773163 0.439563 H\n0.094994 0.521065 0.957988 C\n0.219817 0.562675 0.049712 C\n0.509405 0.265619 0.120366 C\n0.570738 0.341363 0.212460 C\n0.858629 0.057018 0.287609 C\n0.171210 0.953186 0.549440 C\n0.172285 0.863326 0.457342 C\n0.435618 0.673530 0.628892 C\n0.383482 0.732996 0.723840 C\n0.893005 0.142028 0.379431 C\n-0.101825 0.767086 0.893170 O\n0.505188 0.497588 0.793639 O\n0.204129 0.022214 0.728815 O\n0.179474 0.237724 0.951443 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7998635565212349,
"density_atomic": 0.1264904279658548,
"volume": 245.07783314930543,
"volume_molar": 4.760945833486811,
"formula_full": "Zn1 H16 C10 O4",
"formula_reduced": "ZnH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.5384924,
"spacegroup": 1
},
{
"id": "jvasp-101905",
"created_at": "2022-09-04T14:36:43.072043Z",
"updated_at": "2022-09-04T14:36:43.072061Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.379511 -0.260156 0.668462\n-0.295583 4.470626 0.644040\n0.974557 0.483211 8.154409\nZn H C O\n1 4 4 4\ndirect\n0.265212 0.017298 0.248396 Zn\n0.823935 -0.038086 0.654235 H\n0.304674 0.972278 0.723359 H\n0.680448 0.407811 0.823532 H\n0.157582 0.388458 0.867472 H\n0.463330 0.719847 0.533395 C\n0.522615 0.815168 0.691174 C\n0.440537 0.547412 0.847806 C\n0.386659 0.640124 0.018573 C\n0.650598 0.932679 0.379910 O\n0.228374 0.488153 0.542943 O\n0.420273 0.464461 0.152495 O\n0.306251 0.907512 0.024598 O\n",
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],
"chemical_system": "C-H-O-Zn",
"density": 2.5462911994495925,
"density_atomic": 0.1098425932015972,
"volume": 118.35117526896633,
"volume_molar": 5.482518742931893,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.959383415384616,
"spacegroup": 1
},
{
"id": "jvasp-103909",
"created_at": "2022-09-04T14:36:59.404452Z",
"updated_at": "2022-09-04T14:36:59.404462Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n3.843174 0.252421 0.097928\n1.229012 4.364785 0.373578\n-0.705440 0.145444 8.480967\nZn H C O\n1 6 5 4\ndirect\n0.833778 0.840366 0.757269 Zn\n-0.099136 0.486251 0.375732 H\n0.357707 0.464774 0.431433 H\n0.154544 0.019022 0.216905 H\n0.006786 0.582719 0.093543 H\n0.608438 0.004910 0.273419 H\n0.465973 0.548147 0.138935 H\n0.214819 0.100660 0.541174 C\n0.186877 0.324030 0.396777 C\n0.321350 0.163609 0.248865 C\n0.287268 0.409884 0.111326 C\n0.394151 0.291805 0.953713 C\n-0.044982 0.174673 0.631933 O\n0.500497 0.850966 0.568060 O\n0.617525 0.010525 0.952799 O\n0.279147 0.476179 0.827048 O\n",
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"elements": [
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],
"chemical_system": "C-H-O-Zn",
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"density_atomic": 0.11454940226052814,
"volume": 139.67772580436537,
"volume_molar": 5.257243286441078,
"formula_full": "Zn1 H6 C5 O4",
"formula_reduced": "ZnH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.145718399999999,
"spacegroup": 1
}
]
}