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{
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"structure_string": "Sr4 B16 Ru14\n1.0\n6.473952 0.000000 0.000001\n0.000000 6.473951 0.000000\n0.000001 0.000000 10.199289\nSr B Ru\n4 16 14\ndirect\n0.231142 0.391685 1.000000 Sr\n0.608315 0.231143 0.500000 Sr\n0.391684 0.768857 0.500000 Sr\n0.768856 0.608315 -0.000000 Sr\n0.500000 -0.000000 0.088733 B\n0.224413 0.398382 0.331063 B\n0.224414 0.398381 0.668937 B\n0.000000 0.000000 0.159037 B\n0.000000 -0.000000 0.659038 B\n0.398382 0.775586 0.831063 B\n0.775586 0.601619 0.331063 B\n0.500000 -0.000001 0.911267 B\n0.775586 0.601618 0.668937 B\n0.000000 -0.000000 0.840963 B\n0.999999 0.000000 0.340962 B\n0.601619 0.224413 0.831063 B\n0.398381 0.775587 0.168937 B\n-0.000001 0.500000 0.411267 B\n0.000000 0.500000 0.588733 B\n0.601618 0.224414 0.168937 B\n0.499999 0.500000 0.250000 Ru\n0.893500 0.294025 0.744336 Ru\n0.294026 0.106500 0.755664 Ru\n0.294025 0.106501 0.244336 Ru\n0.212202 0.906730 -0.000000 Ru\n0.787798 0.093269 -0.000000 Ru\n0.893499 0.294026 0.255664 Ru\n0.093269 0.212202 0.500000 Ru\n0.705974 0.893500 0.244336 Ru\n0.906730 0.787798 0.500000 Ru\n0.705975 0.893499 0.755664 Ru\n0.106500 0.705975 0.255664 Ru\n0.106501 0.705974 0.744336 Ru\n0.500000 0.499999 0.750000 Ru\n",
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"structure_string": "Ti1 H18 C11 O4\n1.0\n5.850948 -0.058875 -1.646690\n-0.843690 6.638838 0.019932\n-0.307167 -0.105665 7.862661\nTi H C O\n1 18 11 4\ndirect\n-0.045691 0.508259 0.090264 Ti\n0.593274 0.013455 0.260629 H\n0.039491 0.052734 0.533159 H\n0.593279 0.724360 -0.035360 H\n0.822804 0.829965 0.872504 H\n0.298727 0.073360 0.876936 H\n0.202398 0.287083 0.765854 H\n0.109489 0.184861 0.251642 H\n0.461022 0.415965 0.472420 H\n0.305171 0.122381 0.492182 H\n0.330021 0.289837 0.151742 H\n0.166912 0.739189 0.670253 H\n0.456223 0.819568 0.671537 H\n0.710844 0.786053 0.324328 H\n0.650544 -0.063237 0.486889 H\n0.060477 0.140690 0.016321 H\n0.843393 0.897459 0.100553 H\n0.667629 0.254687 0.466643 H\n0.759102 0.515911 0.506415 H\n0.228679 0.049512 0.588763 C\n0.317824 0.171141 0.769240 C\n0.642434 0.390175 0.533471 C\n0.589187 0.883826 0.345785 C\n0.271739 0.825821 0.596504 C\n0.701588 0.375224 0.731337 C\n0.215502 0.730118 0.412316 C\n0.562545 0.283028 0.831682 C\n0.144028 0.245234 0.131799 C\n0.778965 0.781718 0.991964 C\n0.350353 0.768006 0.298112 C\n0.017141 0.604597 0.339311 O\n0.255279 0.681262 0.135388 O\n0.901988 0.476133 0.830618 O\n0.656859 0.324905 0.005927 O\n",
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{
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"structure_string": "Zn1 H18 C11 O4\n1.0\n4.027538 0.146445 0.456503\n1.492012 4.192500 0.182287\n-0.127115 0.584571 16.412735\nZn H C O\n1 18 11 4\ndirect\n0.692445 0.942495 0.159362 Zn\n0.826155 0.803128 0.497310 H\n0.894050 0.314869 0.418273 H\n0.082329 0.161730 0.898651 H\n0.722266 0.295600 0.733407 H\n0.187701 0.150291 0.737689 H\n0.806985 0.301918 0.576002 H\n0.272660 0.157996 0.579636 H\n0.291304 0.661611 0.501428 H\n0.619724 0.313041 0.890344 H\n0.578667 0.836735 0.955720 H\n0.031314 0.656378 0.970639 H\n0.665264 0.794744 0.806690 H\n0.128950 0.642877 0.813008 H\n0.746417 0.792193 0.653171 H\n0.211717 0.647207 0.657039 H\n-0.085775 0.821635 0.340039 H\n0.381172 0.676444 0.346029 H\n0.359731 0.173510 0.422663 H\n0.700806 0.465068 0.047911 C\n0.791880 0.600408 0.964898 C\n0.849835 0.387125 0.891806 C\n0.899270 0.567667 0.811352 C\n0.949423 0.374478 0.734669 C\n0.119133 0.395077 0.421122 C\n0.033261 0.381720 0.577674 C\n0.066392 0.580159 0.499372 C\n0.152462 0.601187 0.343850 C\n0.217362 0.417988 0.266017 C\n0.984979 0.567800 0.655563 C\n0.817971 0.157142 0.058875 O\n0.022737 0.520693 0.207237 O\n0.483151 0.146135 0.263178 O\n0.511857 0.659578 0.102465 O\n",
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{
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"created_at": "2022-09-04T14:38:42.728773Z",
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"structure_string": "Cd1 H18 C11 O4\n1.0\n3.983606 0.101715 0.447062\n1.088914 4.288569 0.573912\n0.230135 -0.074990 15.660498\nCd H C O\n1 18 11 4\ndirect\n0.042472 0.940553 0.144939 Cd\n0.907798 0.670362 0.485841 H\n0.183625 0.216676 0.397842 H\n0.933116 0.283720 0.883779 H\n0.213563 0.363004 0.741124 H\n0.100165 0.728307 0.679572 H\n0.950822 0.109023 0.548441 H\n0.322429 0.107114 0.597956 H\n0.313136 0.637461 0.523623 H\n0.536042 0.290224 0.845530 H\n0.211054 0.719369 0.937506 H\n0.608494 0.760359 0.964456 H\n0.495693 0.831607 0.770662 H\n0.866518 0.839814 0.818958 H\n0.720862 0.217998 0.688502 H\n0.609144 0.583328 0.626998 H\n0.166225 0.771427 0.333984 H\n0.570148 0.732199 0.370562 H\n0.591848 0.178717 0.435702 H\n0.484078 0.356692 0.027112 C\n0.482052 0.588843 0.947400 C\n0.680177 0.440009 0.866365 C\n0.745989 0.682704 0.792558 C\n0.991556 0.543783 0.715423 C\n0.343349 0.349017 0.420623 C\n0.075397 0.261423 0.575624 C\n0.155660 0.500059 0.502286 C\n0.410964 0.596051 0.348803 C\n0.605106 0.481121 0.264563 C\n0.830630 0.401799 0.652638 C\n0.236181 0.416809 0.088013 O\n0.575002 0.683436 0.196911 O\n0.800367 0.203442 0.264465 O\n0.736866 0.107466 0.030218 O\n",
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{
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"created_at": "2022-09-04T14:38:36.737720Z",
"updated_at": "2022-09-04T14:38:36.737737Z",
"structure_string": "Ta18 Fe4 S12\n1.0\n5.195937 -8.999626 0.000000\n5.195937 8.999626 -0.000000\n-0.000000 -0.000000 6.615771\nTa Fe S\n18 4 12\ndirect\n0.473501 0.216186 0.000000 Ta\n0.000000 0.541450 0.753467 Ta\n0.541450 0.000000 0.246533 Ta\n0.541450 0.000000 0.753467 Ta\n0.458550 0.458550 0.753467 Ta\n0.000000 0.541450 0.246533 Ta\n0.265499 0.809046 0.500000 Ta\n0.190955 0.456454 0.500000 Ta\n0.543546 0.734501 0.500000 Ta\n0.458550 0.458550 0.246533 Ta\n0.456454 0.190955 0.500000 Ta\n0.809046 0.265499 0.500000 Ta\n0.257315 0.783815 0.000000 Ta\n0.216186 0.473501 0.000000 Ta\n0.526499 0.742685 0.000000 Ta\n0.742685 0.526499 0.000000 Ta\n0.734501 0.543546 0.500000 Ta\n0.783815 0.257315 0.000000 Ta\n0.333333 0.666667 0.281894 Fe\n0.333333 0.666667 0.718106 Fe\n0.666667 0.333333 0.718106 Fe\n0.666667 0.333333 0.281894 Fe\n0.274020 0.274020 0.000000 S\n0.000000 0.297443 0.234955 S\n0.702557 0.702557 0.765045 S\n0.297443 0.000000 0.765045 S\n0.297443 0.000000 0.234955 S\n0.702557 0.702557 0.234955 S\n0.000000 0.297443 0.765045 S\n0.723406 0.000000 0.500000 S\n0.276595 0.276595 0.500000 S\n0.000000 0.723406 0.500000 S\n0.725980 0.000000 0.000000 S\n0.000000 0.725980 0.000000 S\n",
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{
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"structure_string": "H14 C16 N2 O2\n1.0\n5.734309 0.014971 -1.588896\n-2.954681 6.860161 -1.761097\n-0.042366 0.041812 7.388674\nH C N O\n14 16 2 2\ndirect\n0.848955 0.029792 0.218771 H\n0.242617 0.174129 0.358119 H\n0.509380 0.249855 0.577060 H\n0.721597 0.505805 0.865052 H\n0.937117 0.315611 0.809248 H\n0.733932 0.453090 0.467020 H\n0.848841 0.529809 0.218440 H\n0.063362 0.326776 0.161939 H\n0.509512 0.749868 0.577415 H\n0.721724 0.005832 0.865396 H\n0.063485 0.826758 0.162267 H\n0.937244 0.815636 0.809596 H\n0.734057 0.953068 0.467350 H\n0.242739 0.674117 0.358473 H\n0.137044 0.363287 0.900385 C\n0.238677 0.381594 0.597863 C\n0.576131 0.466957 0.929016 C\n0.649600 0.482089 0.127456 C\n0.387530 0.302483 0.483600 C\n0.317963 0.407687 0.810438 C\n0.466193 0.426692 0.214287 C\n0.206934 0.368035 0.096891 C\n0.466315 0.926676 0.214618 C\n0.576253 0.966974 0.929354 C\n0.649719 0.982083 0.127786 C\n0.387656 0.802482 0.483940 C\n0.318088 0.907711 0.810775 C\n0.137171 0.863300 0.900723 C\n0.207058 0.868026 0.097220 C\n0.238802 0.881608 0.598193 C\n0.546865 0.931605 0.409360 N\n0.546740 0.431615 0.409026 N\n0.045220 0.901587 0.503630 O\n0.045091 0.401579 0.503312 O\n",
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{
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{
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"updated_at": "2022-09-04T14:36:22.410468Z",
"structure_string": "K6 Au2 Se26\n1.0\n4.872687 0.000000 0.000000\n0.000000 13.577186 -0.971772\n0.000000 -0.050937 14.957530\nK Au Se\n6 2 26\ndirect\n0.804252 0.841483 0.724140 K\n0.804252 0.658518 0.275860 K\n0.828403 0.750000 0.000000 K\n0.171598 0.250000 0.000000 K\n0.195748 0.158518 0.275860 K\n0.195748 0.341482 0.724140 K\n0.000000 0.500000 0.500000 Au\n0.000000 -0.000000 0.500000 Au\n0.629876 0.917105 0.265181 Se\n0.683240 0.049881 0.379012 Se\n0.325431 0.917864 0.932730 Se\n0.316760 0.950119 0.620988 Se\n0.316760 0.549881 0.379012 Se\n0.591100 0.250000 0.500000 Se\n0.408901 0.750000 0.500000 Se\n0.108720 0.840166 0.409557 Se\n0.108720 0.659834 0.590443 Se\n0.891280 0.159834 0.590443 Se\n0.891280 0.340166 0.409557 Se\n0.692715 0.238054 0.152019 Se\n0.692715 0.261946 0.847981 Se\n0.307285 0.761946 0.847981 Se\n0.307285 0.738054 0.152019 Se\n0.674570 0.082136 0.067270 Se\n0.683240 0.450119 0.620988 Se\n0.370125 0.082895 0.734819 Se\n0.325431 0.582136 0.067270 Se\n0.927220 0.960900 0.143979 Se\n0.927220 0.539100 0.856021 Se\n0.072781 0.039100 0.856021 Se\n0.072781 0.460900 0.143979 Se\n0.629876 0.582895 0.734819 Se\n0.370125 0.417105 0.265181 Se\n0.674570 0.417864 0.932730 Se\n",
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{
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