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{
"id": "jvasp-28912",
"created_at": "2022-09-04T14:37:29.053382Z",
"updated_at": "2022-09-04T14:37:29.053408Z",
"structure_string": "Te2 Mo1 W3 Se6\n1.0\n3.384374 0.000001 -0.000002\n-1.692186 2.930931 -0.000011\n-0.000022 -0.000156 38.358409\nTe Mo W Se\n2 1 3 6\ndirect\n0.333353 0.666709 0.706732 Te\n0.333350 0.666703 0.608256 Te\n0.666690 0.333383 0.281790 Mo\n0.333308 0.666618 0.093924 W\n0.333309 0.666619 0.469625 W\n0.666687 0.333377 0.657563 W\n0.333361 0.666725 0.324919 Se\n0.666640 0.333282 0.050748 Se\n0.666643 0.333287 0.426356 Se\n0.666646 0.333293 0.137216 Se\n0.666643 0.333288 0.512934 Se\n0.333350 0.666703 0.238688 Se\n",
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"structure_string": "K1 In1 P2 S7\n1.0\n6.226366 0.031378 -0.611896\n-0.736457 6.593885 -0.875989\n0.040572 -0.004187 6.692338\nK In P S\n1 1 2 7\ndirect\n0.500000 0.092167 0.907832 K\n-0.000000 0.500581 0.499420 In\n0.090253 0.036504 0.362252 P\n0.909747 0.637748 0.963496 P\n-0.000000 0.962500 0.037501 S\n0.738526 0.530124 0.178350 S\n0.303719 0.287786 0.368850 S\n0.696281 0.631150 0.712214 S\n0.823742 0.110425 0.492134 S\n0.176258 0.507866 0.889575 S\n0.261474 0.821650 0.469876 S\n",
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{
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"updated_at": "2022-09-04T14:37:05.746234Z",
"structure_string": "Ag2 Hg2 As2 S6\n1.0\n6.461802 0.020222 -1.448880\n-3.587431 5.374536 -1.448880\n-0.019786 -0.037136 7.849230\nAg Hg As S\n2 2 2 6\ndirect\n0.016481 0.992314 0.252504 Ag\n0.992312 0.016480 0.752503 Ag\n0.658826 0.307890 0.228219 Hg\n0.307890 0.658826 0.728219 Hg\n0.323534 0.624226 0.209091 As\n0.624225 0.323534 0.709091 As\n0.972454 0.226824 0.051905 S\n0.226824 0.972455 0.551906 S\n0.815706 0.234209 0.513381 S\n0.566428 0.579906 0.577299 S\n0.579906 0.566429 0.077299 S\n0.234210 0.815707 0.013381 S\n",
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{
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"updated_at": "2022-09-04T14:37:30.151429Z",
"structure_string": "Li4 H8 Br4 O4\n1.0\n4.033544 3.958209 0.000000\n-4.033544 3.958209 0.000000\n0.000000 0.000000 7.846255\nLi H Br O\n4 8 4 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.307098 0.307098 0.250000 Li\n0.692902 0.692902 0.750000 Li\n0.789093 0.596213 0.436523 H\n0.403787 0.210907 0.936523 H\n0.403787 0.210907 0.563476 H\n0.789093 0.596213 0.063476 H\n0.596213 0.789093 0.436523 H\n0.596213 0.789093 0.063476 H\n0.210907 0.403787 0.936523 H\n0.210907 0.403787 0.563476 H\n0.270337 0.782539 0.250000 Br\n0.217462 0.729663 0.750000 Br\n0.782539 0.270337 0.250000 Br\n0.729663 0.217462 0.750000 Br\n0.742080 0.742080 0.497555 O\n0.257921 0.257921 -0.002444 O\n0.257921 0.257921 0.502444 O\n0.742080 0.742080 0.002444 O\n",
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{
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"updated_at": "2022-09-04T14:37:07.743900Z",
"structure_string": "Mg2 Co2 Si4 O12\n1.0\n4.889059 -0.122626 0.876046\n1.018935 6.397623 0.527523\n-0.211533 -0.020107 6.496225\nMg Co Si O\n2 2 4 12\ndirect\n0.750001 0.271610 0.728388 Mg\n0.250002 0.728388 0.271612 Mg\n0.250000 0.085166 0.914834 Co\n0.750000 0.914835 0.085165 Co\n0.290220 0.208703 0.394102 Si\n0.209781 0.605897 0.791296 Si\n0.790220 0.394102 0.208704 Si\n0.709782 0.791295 0.605897 Si\n0.642422 0.971000 0.777607 O\n0.857580 0.222391 0.028999 O\n0.631342 0.616953 0.144922 O\n0.868660 0.855077 0.383046 O\n0.368659 0.383044 0.855077 O\n-0.089348 0.585044 0.704572 O\n0.089349 0.414955 0.295426 O\n0.410653 0.704572 0.585045 O\n0.357579 0.028998 0.222393 O\n0.589350 0.295427 0.414954 O\n0.131342 0.144921 0.616953 O\n0.142423 0.777608 0.971000 O\n",
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{
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"created_at": "2022-09-04T14:37:28.951981Z",
"updated_at": "2022-09-04T14:37:28.952001Z",
"structure_string": "Rb4 Cu4 Sn2 S8\n1.0\n5.253833 0.000000 1.628506\n2.168148 8.831089 2.294316\n-0.027559 -0.067331 9.378038\nRb Cu Sn S\n4 4 2 8\ndirect\n0.228506 0.376104 0.623896 Rb\n0.728505 0.123896 0.876105 Rb\n0.271494 0.876104 0.123896 Rb\n0.771494 0.623896 0.376105 Rb\n0.250000 0.031457 0.468543 Cu\n0.750000 0.531457 0.968544 Cu\n0.750000 0.968543 0.531458 Cu\n0.250000 0.468543 0.031457 Cu\n0.750000 0.250000 0.250001 Sn\n0.250000 0.750000 0.750001 Sn\n0.415061 0.485655 0.223583 S\n0.624298 0.014345 0.276418 S\n0.875701 0.223582 0.485656 S\n0.084939 0.276418 0.014345 S\n0.375701 0.985655 0.723583 S\n0.584939 0.514345 0.776418 S\n0.124299 0.776418 0.514345 S\n0.915061 0.723583 0.985656 S\n",
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{
"id": "jvasp-57598",
"created_at": "2022-09-04T14:37:29.120385Z",
"updated_at": "2022-09-04T14:37:29.120405Z",
"structure_string": "Ba4 Ho1 Ru3 O12\n1.0\n5.660664 0.002032 8.650442\n2.580313 5.038364 8.650442\n0.003323 0.002032 10.337953\nBa Ho Ru O\n4 1 3 12\ndirect\n0.714126 0.714125 0.714128 Ba\n0.285873 0.285873 0.285874 Ba\n0.129256 0.129255 0.129256 Ba\n0.870743 0.870743 0.870746 Ba\n0.000000 0.000000 0.000000 Ho\n0.413318 0.413318 0.413319 Ru\n0.500000 0.499999 0.500001 Ru\n0.586681 0.586681 0.586683 Ru\n0.386902 0.853169 0.386903 O\n0.780974 0.307815 0.780975 O\n0.219025 0.692183 0.219026 O\n0.692184 0.219025 0.219026 O\n0.780974 0.780973 0.307817 O\n0.613097 0.146829 0.613098 O\n0.613097 0.613097 0.146830 O\n0.853170 0.386902 0.386903 O\n0.146829 0.613097 0.613098 O\n0.219025 0.219025 0.692185 O\n0.386902 0.386902 0.853171 O\n0.307815 0.780973 0.780975 O\n",
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{
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"created_at": "2022-09-04T14:37:34.245954Z",
"updated_at": "2022-09-04T14:37:34.245990Z",
"structure_string": "Cd1 Sb6 S8 I4\n1.0\n7.026764 -0.010127 2.420766\n0.987983 8.865817 -0.022662\n0.049502 -0.168293 8.958589\nCd Sb S I\n1 6 8 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.247185 0.357169 0.847045 Sb\n0.239189 0.066051 0.555436 Sb\n0.752813 0.642832 0.152957 Sb\n0.223607 0.701160 0.209825 Sb\n0.776391 0.298840 0.790176 Sb\n0.760810 0.933949 0.444565 Sb\n0.090949 0.989608 0.276486 S\n0.338285 0.068771 0.807169 S\n0.904122 0.641640 0.390575 S\n0.095877 0.358360 0.609426 S\n0.914263 0.312801 0.022342 S\n0.085736 0.687200 0.977659 S\n0.661713 0.931230 0.192832 S\n0.909050 0.010392 0.723515 S\n0.646938 0.668048 0.845917 I\n0.353061 0.331952 0.154084 I\n0.648918 0.287547 0.463557 I\n0.351080 0.712454 0.536444 I\n",
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"structure_string": "Sr2 Ni1 N6 O12\n1.0\n6.105254 -0.000000 3.524870\n2.035084 5.756088 3.524870\n0.000000 0.000000 7.049740\nSr Ni N O\n2 1 6 12\ndirect\n0.250000 0.250001 0.250000 Sr\n0.749999 0.750001 0.750000 Sr\n0.000000 0.000000 0.000000 Ni\n0.202425 0.202425 0.797575 N\n0.202426 0.797575 0.797574 N\n0.797574 0.202425 0.202427 N\n0.797574 0.202425 0.797575 N\n0.202426 0.797575 0.202426 N\n0.797573 0.797575 0.202426 N\n0.607997 -0.000000 0.999999 O\n-0.000000 -0.000000 0.607998 O\n0.607997 -0.000000 0.392003 O\n0.392002 0.000000 0.000001 O\n0.392004 0.607997 0.000000 O\n0.999998 0.392003 0.607997 O\n-0.000000 0.607997 0.392004 O\n0.999998 0.392003 0.000001 O\n0.392002 -0.000000 0.607997 O\n0.607996 0.392003 0.000000 O\n-0.000000 -0.000000 0.392003 O\n-0.000000 0.607997 0.000000 O\n",
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"structure_string": "Ce2 Al1 N1 O3\n1.0\n3.720107 -0.000000 -0.000000\n-0.000000 3.720107 -0.000000\n-1.860054 -1.860054 6.254606\nCe Al N O\n2 1 1 3\ndirect\n0.516789 0.516789 0.033577 Ce\n0.812462 0.812462 0.624921 Ce\n0.159239 0.159239 0.318476 Al\n0.996628 0.996628 0.993253 N\n0.169134 0.669134 0.338267 O\n0.669134 0.169134 0.338267 O\n0.329321 0.329321 0.658642 O\n",
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{
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"created_at": "2022-09-04T14:37:29.630668Z",
"updated_at": "2022-09-04T14:37:29.630684Z",
"structure_string": "Tl4 Cu2 As2 O8\n1.0\n0.000000 5.721594 -0.203465\n5.590490 0.000000 0.000000\n0.000000 -1.079996 -8.673729\nTl Cu As O\n4 2 2 8\ndirect\n0.248613 0.002610 0.192410 Tl\n0.265965 0.487842 0.503344 Tl\n0.751385 0.502610 0.807590 Tl\n0.734033 -0.012158 0.496657 Tl\n0.294905 0.448231 0.991671 Cu\n0.705094 0.948231 0.008329 Cu\n0.255782 0.012806 0.781739 As\n0.744217 0.512806 0.218261 As\n0.822329 0.814860 0.199509 O\n0.827176 0.435140 0.405646 O\n0.562716 0.009334 0.809070 O\n0.437282 0.509334 0.190931 O\n0.130175 0.836577 0.913381 O\n0.177670 0.314860 0.800491 O\n0.172823 0.935140 0.594355 O\n0.869823 0.336577 0.086620 O\n",
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{
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"created_at": "2022-09-04T14:37:34.294527Z",
"updated_at": "2022-09-04T14:37:34.294553Z",
"structure_string": "Rb4 Ti2 Si6 O18\n1.0\n3.465199 -6.001901 -0.000000\n3.465199 6.001901 0.000000\n0.000000 0.000000 10.084069\nRb Ti Si O\n4 2 6 18\ndirect\n0.666667 0.333333 0.558456 Rb\n0.333333 0.666667 0.058456 Rb\n0.333333 0.666667 0.441544 Rb\n0.666667 0.333333 0.941544 Rb\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.134291 0.757248 0.750000 Si\n0.757248 0.622957 0.250000 Si\n0.377043 0.134291 0.250000 Si\n0.242752 0.377043 0.750000 Si\n0.865709 0.242752 0.250000 Si\n0.622957 0.865709 0.750000 Si\n0.245385 0.030081 0.387293 O\n0.506515 0.589617 0.750000 O\n0.493485 0.410383 0.250000 O\n0.916897 0.506515 0.250000 O\n0.410383 0.916897 0.750000 O\n0.030082 0.784697 0.887293 O\n0.784697 0.754616 0.387293 O\n0.754616 0.969919 0.887293 O\n0.245385 0.030081 0.112707 O\n0.969919 0.215303 0.387293 O\n0.969919 0.215303 0.112707 O\n0.215303 0.245385 0.612707 O\n0.754616 0.969919 0.612707 O\n0.083103 0.493485 0.750000 O\n0.784697 0.754616 0.112707 O\n0.030082 0.784697 0.612707 O\n0.215303 0.245385 0.887293 O\n0.589617 0.083104 0.250000 O\n",
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]
}