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{
"id": "jvasp-95209",
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"structure_string": "Ca4 H16 N24 O8\n1.0\n10.975644 0.000000 -3.422517\n0.000000 6.060509 0.000000\n-0.080163 0.000000 7.888898\nCa H N O\n4 16 24 8\ndirect\n0.512139 0.745941 0.179834 Ca\n0.012139 0.754059 0.679835 Ca\n0.487861 0.254059 0.820166 Ca\n0.987861 0.245941 0.320165 Ca\n0.109353 0.696213 0.379755 H\n0.609353 0.803787 0.879755 H\n0.890647 0.303787 0.620245 H\n0.390647 0.196213 0.120245 H\n0.696175 0.980273 0.007331 H\n0.803825 0.480273 0.492668 H\n0.303825 0.019728 0.992669 H\n0.196175 0.519728 0.507332 H\n0.702656 0.458629 0.112782 H\n0.797343 0.958629 0.387217 H\n0.297344 0.541371 0.887218 H\n0.129016 0.204193 0.703498 H\n0.629016 0.295807 0.203498 H\n0.870984 0.795808 0.296502 H\n0.370984 0.704193 0.796502 H\n0.202657 0.041371 0.612783 H\n0.629762 0.600404 0.610940 N\n0.129762 0.899596 0.110941 N\n0.608451 0.127790 0.623725 N\n0.108451 0.372210 0.123724 N\n0.391549 0.872210 0.376275 N\n0.659433 0.611615 0.480431 N\n0.340567 0.388385 0.519569 N\n0.840566 0.111615 0.019569 N\n0.159434 0.888385 0.980431 N\n0.870238 0.100404 0.889059 N\n0.891549 0.627791 0.876275 N\n0.370238 0.399596 0.389059 N\n0.900107 0.084948 0.758946 N\n0.373151 0.896946 0.512277 N\n0.645868 0.071922 0.348509 N\n0.873150 0.603054 0.012277 N\n0.354132 0.928078 0.651491 N\n0.854132 0.571922 0.151490 N\n0.400107 0.415052 0.258946 N\n0.145868 0.428078 0.848510 N\n0.599893 0.584948 0.741054 N\n0.099893 0.915052 0.241054 N\n0.626849 0.103054 0.487723 N\n0.126850 0.396946 0.987723 N\n0.382073 0.589378 0.892992 O\n0.882072 0.910622 0.392991 O\n0.617927 0.410622 0.107008 O\n0.117927 0.089378 0.607008 O\n0.388434 0.082552 0.025417 O\n0.888434 0.417448 0.525417 O\n0.611566 0.917449 0.974583 O\n0.111566 0.582552 0.474583 O\n",
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{
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"structure_string": "Li2 Mn1 Fe1 B2 O6\n1.0\n5.163435 -0.004354 -0.029034\n-2.563735 4.514180 0.016082\n-2.403981 -1.445578 5.194593\nLi Mn Fe B O\n2 1 1 2 6\ndirect\n0.549800 0.619267 0.315108 Li\n0.451032 0.381055 0.683005 Li\n0.833497 0.248274 0.233708 Mn\n0.161075 0.748269 0.764134 Fe\n0.179748 0.921383 0.258486 B\n0.821176 0.079503 0.742819 B\n0.940865 0.682313 0.306298 O\n0.376092 0.870951 0.179557 O\n0.234259 0.210136 0.297501 O\n0.779317 0.795868 0.706314 O\n0.610418 0.116428 0.811614 O\n0.062713 0.326556 0.701456 O\n",
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{
"id": "jvasp-112220",
"created_at": "2022-09-04T14:38:42.130489Z",
"updated_at": "2022-09-04T14:38:42.130521Z",
"structure_string": "H8 Pb1 C6 S1 O4\n1.0\n4.288427 0.037627 0.319547\n2.096558 4.632684 0.142486\n-0.091975 0.042321 10.161175\nH Pb C S O\n8 1 6 1 4\ndirect\n0.094630 0.616348 0.307750 H\n0.743430 0.599694 0.401963 H\n0.514731 0.196201 0.425300 H\n0.266963 0.496484 0.528357 H\n0.691825 0.197582 0.732994 H\n0.642020 0.497338 0.629642 H\n0.062031 0.600434 0.756275 H\n0.694087 0.617096 0.850360 H\n0.734801 0.932494 0.079155 Pb\n0.153905 0.260495 0.898288 C\n0.933050 0.467017 0.796696 C\n0.823249 0.325692 0.689580 C\n0.989921 0.259829 0.260102 C\n0.005238 0.466282 0.361557 C\n0.255947 0.324905 0.468698 C\n0.164383 0.074441 0.579359 S\n0.156257 0.010328 0.915105 O\n0.236847 0.009744 0.243300 O\n0.331845 0.349375 0.966654 O\n0.723274 0.348761 0.191789 O\n",
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{
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"updated_at": "2022-09-04T14:35:48.014957Z",
"structure_string": "Dy4 V4 B16\n1.0\n3.467071 0.000000 0.000000\n0.000000 5.998979 0.000000\n0.000000 0.000000 11.609702\nDy V B\n4 4 16\ndirect\n0.000000 0.123748 0.848555 Dy\n0.000000 0.876252 0.151445 Dy\n0.000000 0.376252 0.348555 Dy\n0.000000 0.623748 0.651445 Dy\n0.000000 0.126718 0.582717 V\n0.000000 0.873282 0.417283 V\n0.000000 0.373282 0.082717 V\n0.000000 0.626718 0.917283 V\n0.500000 0.523467 0.192159 B\n0.500000 0.476534 0.807841 B\n0.500000 0.885307 0.547377 B\n0.500000 0.114694 0.452623 B\n0.500000 0.614694 0.047377 B\n0.500000 0.385307 0.952623 B\n0.500000 0.864197 0.967559 B\n0.500000 0.785897 0.814312 B\n0.500000 0.635804 0.467559 B\n0.500000 0.364197 0.532440 B\n0.500000 0.023467 0.307841 B\n0.500000 0.214103 0.185688 B\n0.500000 0.714103 0.314312 B\n0.500000 0.285897 0.685688 B\n0.500000 0.135803 0.032440 B\n0.500000 0.976534 0.692159 B\n",
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{
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"created_at": "2022-09-04T14:37:08.964951Z",
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"structure_string": "Ti1 Co5 O12\n1.0\n2.447273 4.251021 0.462481\n-2.474420 4.254448 0.231241\n0.409047 0.710533 8.729970\nTi Co O\n1 5 12\ndirect\n0.000000 0.000000 0.000000 Ti\n0.166514 0.666972 0.500000 Co\n0.666663 0.666671 -0.000000 Co\n0.333336 0.333330 -0.000000 Co\n0.833485 0.333028 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n0.037657 0.347827 0.886570 O\n0.310174 0.000000 0.113433 O\n0.614515 0.347828 0.113429 O\n0.798246 0.666695 0.605668 O\n0.131008 -0.000001 0.607293 O\n0.201754 0.333305 0.394332 O\n0.535058 0.666695 0.394332 O\n0.689826 -0.000001 0.886566 O\n0.385484 0.652172 0.886570 O\n-0.037657 0.652173 0.113429 O\n0.464942 0.333305 0.605668 O\n0.868991 0.000000 0.392707 O\n",
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{
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"created_at": "2022-09-04T14:38:05.873279Z",
"updated_at": "2022-09-04T14:38:05.873302Z",
"structure_string": "Pu2 H6\n1.0\n1.865478 -3.231104 0.000000\n1.865478 3.231104 0.000000\n-0.000000 -0.000000 6.677242\nPu H\n2 6\ndirect\n0.333334 0.666667 0.250000 Pu\n0.666667 0.333334 0.750000 Pu\n0.666667 0.333334 0.092936 H\n0.333334 0.666667 0.592936 H\n0.000000 0.000000 0.750000 H\n0.000000 0.000000 0.250000 H\n0.666667 0.333334 0.407064 H\n0.333334 0.666667 0.907064 H\n",
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{
"id": "jvasp-104012",
"created_at": "2022-09-04T14:36:52.195431Z",
"updated_at": "2022-09-04T14:36:52.195451Z",
"structure_string": "H8 Pb1 C6 S1 O4\n1.0\n4.289546 0.014421 0.315049\n2.121241 4.621675 0.170634\n-0.080894 -0.018050 10.160896\nH Pb C S O\n8 1 6 1 4\ndirect\n0.055210 0.694850 0.318612 H\n0.703966 0.678411 0.412849 H\n0.475216 0.274781 0.436342 H\n0.227514 0.575186 0.539257 H\n0.652090 0.276799 0.744027 H\n0.602532 0.576403 0.640542 H\n0.022312 0.679453 0.767225 H\n0.654391 0.696163 0.861301 H\n0.695248 0.011380 0.090180 Pb\n0.114229 0.339530 0.909318 C\n0.893349 0.546079 0.807676 C\n0.783618 0.404773 0.700585 C\n0.950414 0.338439 0.271127 C\n0.965764 0.544908 0.372496 C\n0.216451 0.403587 0.479693 C\n0.124845 0.153341 0.590513 S\n0.116604 0.089402 0.926203 O\n0.197388 0.088403 0.254357 O\n0.292211 0.428336 0.977648 O\n0.683688 0.427356 0.202836 O\n",
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{
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"structure_string": "Li3 V1 F6\n1.0\n2.439937 4.225848 -0.007323\n-2.439937 4.225848 0.007323\n0.013487 0.000000 4.879504\nLi V F\n3 1 6\ndirect\n0.666683 0.666698 0.499997 Li\n0.333302 0.333318 0.499997 Li\n-0.000008 0.000008 0.500001 Li\n-0.000005 0.000005 -0.000003 V\n0.310521 -0.000008 0.259963 F\n0.000007 0.689480 0.259962 F\n0.310488 0.689512 0.740156 F\n0.689487 0.310514 0.259847 F\n-0.000029 0.310543 0.740036 F\n0.689458 0.000029 0.740037 F\n",
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{
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"structure_string": "Be4 P4 O14\n1.0\n3.373145 3.882118 -0.085485\n-3.373145 3.882118 0.085485\n-3.556331 0.000000 8.542766\nBe P O\n4 4 14\ndirect\n0.444975 0.339021 0.934987 Be\n0.339022 0.444974 0.565013 Be\n0.660979 0.555026 0.434987 Be\n0.555026 0.660979 0.065013 Be\n0.240909 0.871712 0.709740 P\n0.128289 0.759091 0.209740 P\n0.871712 0.240909 0.790261 P\n0.759091 0.128288 0.290261 P\n0.546873 0.314121 0.126307 O\n0.038415 0.038415 0.250000 O\n0.325257 0.130449 0.635685 O\n0.691939 0.180505 0.894645 O\n0.685880 0.453127 0.626307 O\n0.314121 0.546873 0.373694 O\n0.453128 0.685879 0.873694 O\n0.674744 0.869551 0.364316 O\n0.961586 0.961586 0.750000 O\n0.819495 0.308062 0.394645 O\n0.180505 0.691938 0.605356 O\n0.130449 0.325256 0.864316 O\n0.308062 0.819495 0.105356 O\n0.869552 0.674744 0.135684 O\n",
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"structure_string": "Zn3 Ni20 B6\n1.0\n6.447678 0.000000 3.722569\n2.149226 6.078929 3.722569\n0.000000 0.000000 7.445137\nZn Ni B\n3 20 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750001 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n0.383212 0.383212 0.850365 Ni\n0.850365 0.383212 0.383212 Ni\n0.383212 0.850365 0.383212 Ni\n0.149635 0.616788 0.616788 Ni\n0.616789 0.616788 0.149635 Ni\n0.383212 0.383212 0.383212 Ni\n0.661882 -0.000000 -0.000000 Ni\n0.616789 0.149635 0.616789 Ni\n0.661882 -0.000000 0.338119 Ni\n0.000000 0.661881 -0.000000 Ni\n0.661882 0.338119 -0.000000 Ni\n-0.000000 -0.000000 0.661882 Ni\n0.338119 -0.000000 0.661882 Ni\n0.000000 0.338119 0.661881 Ni\n0.338119 0.661881 -0.000000 Ni\n-0.000000 -0.000000 0.338119 Ni\n0.338119 -0.000000 -0.000000 Ni\n0.616789 0.616788 0.616788 Ni\n0.000000 0.661881 0.338119 Ni\n0.000000 0.338119 -0.000000 Ni\n0.724895 0.275106 0.275106 B\n0.724895 0.724895 0.275105 B\n0.275106 0.275106 0.724895 B\n0.724895 0.275106 0.724895 B\n0.275106 0.724895 0.275105 B\n0.275106 0.724895 0.724895 B\n",
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{
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"structure_string": "H4 S2 O8\n1.0\n3.718881 2.278998 -1.754772\n-3.718881 2.278998 1.754772\n-0.516208 0.000000 8.554645\nH S O\n4 2 8\ndirect\n0.714413 0.541016 0.616596 H\n0.458985 0.285588 0.116596 H\n0.293171 0.762886 0.895901 H\n0.237115 0.706830 0.395901 H\n0.885752 0.933787 0.747637 S\n0.066214 0.114249 0.247637 S\n0.734263 0.715841 0.894571 O\n0.684423 0.756174 0.588448 O\n0.243827 0.315578 0.088448 O\n0.284160 0.265738 0.394571 O\n0.258908 0.963127 0.799100 O\n0.917354 0.281301 0.671133 O\n0.718700 0.082646 0.171134 O\n0.036875 0.741092 0.299101 O\n",
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{
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"structure_string": "Fe2 Cu2 O4\n1.0\n2.832870 0.000000 -0.000000\n-1.416436 2.453338 0.000000\n-0.000000 -0.000000 11.583291\nFe Cu O\n2 2 4\ndirect\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333335 0.750000 Cu\n0.333332 0.666666 0.250000 Cu\n0.333332 0.666666 0.411258 O\n0.666667 0.333335 0.911258 O\n0.666667 0.333335 0.588742 O\n0.333332 0.666666 0.088742 O\n",
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}
]
}