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{
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"structure_string": "Tc2 H8 N2 O8\n1.0\n5.577592 -0.000004 -2.228232\n-0.890169 5.506098 -2.228236\n-0.244490 -0.287187 7.482889\nTc H N O\n2 8 2 8\ndirect\n0.125000 0.375000 0.250000 Tc\n0.875000 0.625000 0.750000 Tc\n0.279558 0.207365 0.650712 H\n0.720442 0.792635 0.349288 H\n0.707365 0.871155 0.150712 H\n0.556652 0.220442 0.849288 H\n0.371154 0.943347 0.650712 H\n0.443347 0.779558 0.150712 H\n0.628845 0.056653 0.349288 H\n0.292635 0.128845 0.849288 H\n0.625000 0.875001 0.250000 N\n0.375000 0.125000 0.750000 N\n0.843150 0.416787 0.090272 O\n0.916786 0.747123 0.590272 O\n0.156850 0.583214 0.909727 O\n0.326514 0.656850 0.409728 O\n0.083214 0.252878 0.409728 O\n0.247122 0.173486 0.090272 O\n0.673486 0.343150 0.590272 O\n0.752877 0.826514 0.909728 O\n",
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"structure_string": "Tc4 S4 O24 F4\n1.0\n6.841974 0.000000 -0.925321\n0.000000 7.986451 0.000000\n-0.044181 0.000000 8.933835\nTc S O F\n4 4 24 4\ndirect\n0.736285 0.344509 0.158067 Tc\n0.736285 0.155491 0.658067 Tc\n0.263714 0.655491 0.841932 Tc\n0.263714 0.844509 0.341933 Tc\n0.903858 0.767120 0.563244 S\n0.096141 0.232879 0.436756 S\n0.903858 0.732879 0.063244 S\n0.096142 0.267121 0.936756 S\n0.752431 0.134572 0.172260 O\n0.162090 0.114130 0.331580 O\n0.563088 0.399472 0.264018 O\n0.036075 0.341003 0.071168 O\n0.964276 0.360039 0.364052 O\n0.035724 0.639961 0.635948 O\n0.436912 0.600528 0.735981 O\n0.247569 0.865427 0.827740 O\n0.837910 0.885870 0.668419 O\n0.162090 0.385870 0.831580 O\n0.837909 0.614130 0.168419 O\n0.752431 0.365427 0.672259 O\n0.637529 0.379963 0.977262 O\n0.963925 0.658997 0.928831 O\n0.362471 0.879963 0.522737 O\n0.362471 0.620037 0.022737 O\n0.436912 0.899472 0.235981 O\n0.963925 0.841003 0.428832 O\n0.964276 0.139961 0.864051 O\n0.036075 0.158997 0.571168 O\n0.637529 0.120037 0.477262 O\n0.035724 0.860039 0.135948 O\n0.563088 0.100528 0.764018 O\n0.247569 0.634572 0.327740 O\n0.283763 0.334273 0.500115 F\n0.283763 0.165727 1.000115 F\n0.716237 0.665727 0.499884 F\n0.716237 0.834273 -0.000116 F\n",
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{
"id": "jvasp-29394",
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"structure_string": "Tc2 Xe2 O8 F10\n1.0\n5.243437 0.000000 -0.000000\n-0.000000 7.169388 -3.493107\n0.000000 -0.024991 9.052624\nTc Xe O F\n2 2 8 10\ndirect\n0.095550 0.597582 0.195163 Tc\n0.595551 0.402418 0.804836 Tc\n0.450495 0.122753 0.245506 Xe\n0.950496 0.877247 0.754493 Xe\n0.574110 0.366729 0.351918 O\n0.309720 0.358482 0.716965 O\n0.074110 0.014811 0.648081 O\n0.574110 0.985190 0.351918 O\n0.809720 0.641518 0.283034 O\n0.074110 0.633271 0.648081 O\n0.290392 0.677996 0.355992 O\n0.790392 0.322004 0.644007 O\n0.758479 0.038371 0.076744 F\n0.114835 0.800388 0.143977 F\n0.258478 0.961629 0.923255 F\n0.118825 0.190706 0.381412 F\n0.614835 0.199612 0.856022 F\n0.417621 0.519209 0.038417 F\n0.614835 0.656411 0.856022 F\n0.114835 0.343590 0.143977 F\n0.917621 0.480791 0.961582 F\n0.618825 0.809294 0.618588 F\n",
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{
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"structure_string": "Te4 As4 H4 O20\n1.0\n0.000000 7.430024 0.057140\n6.047882 0.000000 0.000000\n0.000000 -2.034874 -9.149161\nTe As H O\n4 4 4 20\ndirect\n0.380819 0.126593 0.591637 Te\n0.619181 0.626593 0.908363 Te\n0.619181 0.873407 0.408363 Te\n0.380819 0.373407 0.091637 Te\n0.802974 0.366034 0.586006 As\n0.197027 0.866034 0.913994 As\n0.197026 0.633966 0.413994 As\n0.802973 0.133966 0.086006 As\n0.932811 0.163057 0.332694 H\n0.067189 0.663057 0.167306 H\n0.932812 0.336943 0.832694 H\n0.067189 0.836943 0.667305 H\n0.401935 0.643707 0.352358 O\n0.018714 0.865582 0.757774 O\n0.981286 0.365582 0.742226 O\n0.824677 0.357184 0.977198 O\n0.175323 0.857184 0.522802 O\n0.175323 0.642816 0.022802 O\n0.824677 0.142816 0.477198 O\n0.598065 0.143707 0.147642 O\n0.401935 0.856292 0.852358 O\n0.419763 0.381497 0.893331 O\n0.812926 0.896095 0.990219 O\n0.187074 0.396096 0.509781 O\n0.187074 0.103904 0.009781 O\n0.812926 0.603904 0.490219 O\n0.018714 0.634418 0.257774 O\n0.580237 0.881497 0.606669 O\n0.580237 0.618503 0.106669 O\n0.419763 0.118503 0.393331 O\n0.598065 0.356293 0.647642 O\n0.981286 0.134418 0.242226 O\n",
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{
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"created_at": "2022-09-04T14:36:38.356050Z",
"updated_at": "2022-09-04T14:36:38.356075Z",
"structure_string": "Te4 As2 I2 O1\n1.0\n6.372047 -0.041632 1.623164\n2.896022 5.926282 2.186182\n0.391081 -0.160198 8.011147\nTe As I O\n4 2 2 1\ndirect\n0.888875 0.217332 0.225454 Te\n0.068703 0.762582 0.726403 Te\n0.318598 0.085041 0.835272 Te\n0.713206 0.446478 0.758732 Te\n0.321781 0.409194 0.953651 As\n0.694167 0.717211 0.944823 As\n0.728343 0.877123 0.289202 I\n0.407025 0.508435 0.359548 I\n0.020203 0.137502 0.424212 O\n",
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{
"id": "jvasp-98791",
"created_at": "2022-09-04T14:36:07.735863Z",
"updated_at": "2022-09-04T14:36:07.735879Z",
"structure_string": "Te2 C8 Cl4 F12\n1.0\n6.912290 0.032679 -1.330658\n-1.038431 6.833922 -1.330658\n0.041449 0.048454 8.952861\nTe C Cl F\n2 8 4 12\ndirect\n0.428496 0.571504 0.750000 Te\n0.571504 0.428496 0.250000 Te\n0.571088 0.977752 0.702581 C\n0.153764 0.586662 0.817205 C\n0.413337 0.846236 0.682794 C\n0.977753 0.571088 0.202581 C\n0.428912 0.022247 0.297419 C\n0.846237 0.413337 0.182794 C\n0.022247 0.428911 0.797419 C\n0.586663 0.153763 0.317205 C\n0.241069 0.416413 0.475820 Cl\n0.758931 0.583586 0.524179 Cl\n0.583587 0.758931 0.024179 Cl\n0.416413 0.241068 0.975820 Cl\n0.144362 0.567573 0.151672 F\n0.748594 0.959234 0.773936 F\n0.251406 0.040765 0.226063 F\n0.040766 0.251406 0.726063 F\n0.959235 0.748594 0.273937 F\n0.880051 0.237725 0.109360 F\n0.432427 0.855638 0.348328 F\n0.567573 0.144361 0.651671 F\n0.237725 0.880051 0.609360 F\n0.762275 0.119949 0.390639 F\n0.855639 0.432426 0.848328 F\n0.119949 0.762274 0.890639 F\n",
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"structure_string": "Te4 H4 O6 F8\n1.0\n10.612514 0.025370 5.321965\n9.691711 4.307797 0.901267\n0.006706 -0.031188 6.223231\nTe H O F\n4 4 6 8\ndirect\n0.692235 0.410027 0.082759 Te\n0.814978 0.082758 0.410026 Te\n0.839973 0.557764 0.435022 Te\n0.167241 0.435022 0.557764 Te\n0.437965 0.761113 0.806788 H\n0.994133 0.806788 0.761113 H\n0.488886 0.812036 0.255867 H\n0.443212 0.255866 0.812035 H\n0.526875 0.207421 0.604536 O\n0.661166 0.604537 0.207422 O\n0.042578 0.723125 0.588833 O\n0.645463 0.588833 0.723125 O\n0.537109 0.462891 0.462890 O\n0.787109 0.712891 0.712890 O\n0.565148 0.355088 0.847971 F\n0.231793 0.847972 0.355088 F\n0.894911 0.684852 0.018207 F\n0.402028 0.018206 0.684851 F\n0.211029 0.153191 0.359113 F\n0.276667 0.359114 0.153191 F\n0.096810 0.038970 0.973332 F\n0.890885 0.973334 0.038971 F\n",
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"created_at": "2022-09-04T14:37:39.971864Z",
"updated_at": "2022-09-04T14:37:39.971892Z",
"structure_string": "Te2 Mo4 Se2 S4\n1.0\n3.312547 0.000004 0.000013\n-1.656270 2.868749 -0.000013\n0.000212 -0.000062 35.388472\nTe Mo Se S\n2 4 2 4\ndirect\n0.666657 0.333315 0.410701 Te\n0.666635 0.333302 0.519051 Te\n0.333390 0.666727 0.101015 Mo\n0.333312 0.666643 0.464904 Mo\n0.666693 0.333354 0.274336 Mo\n0.666602 0.333270 0.662695 Mo\n0.333273 0.666621 0.710076 Se\n0.333273 0.666600 0.615230 Se\n0.333356 0.666688 0.317523 S\n0.666725 0.333389 0.057843 S\n0.666715 0.333387 0.144217 S\n0.333372 0.666702 0.231158 S\n",
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"created_at": "2022-09-04T14:37:32.603950Z",
"updated_at": "2022-09-04T14:37:32.603971Z",
"structure_string": "Te2 Mo4 Se2 S4\n1.0\n3.313725 0.000000 0.000000\n-1.656863 2.869745 -0.010054\n0.000000 0.095525 26.239072\nTe Mo Se S\n2 4 2 4\ndirect\n0.333858 0.667714 0.819053 Te\n0.333977 0.667952 0.672905 Te\n0.332858 0.665714 0.012774 Mo\n0.333751 0.667501 0.488960 Mo\n0.666143 0.332285 0.255186 Mo\n0.667251 0.334498 0.745996 Mo\n0.666238 0.332473 0.948814 Se\n0.666145 0.332288 0.076748 Se\n0.332775 0.665550 0.313419 S\n0.667110 0.334216 0.430745 S\n0.667063 0.334123 0.547196 S\n0.332844 0.665687 0.196950 S\n",
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{
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"created_at": "2022-09-04T14:37:45.531689Z",
"updated_at": "2022-09-04T14:37:45.531719Z",
"structure_string": "Te2 Mo4 Se4 S2\n1.0\n3.348235 -0.000000 -0.000000\n-1.674117 2.899663 0.000020\n-0.000000 -0.000169 35.920483\nTe Mo Se S\n2 4 4 2\ndirect\n0.666640 0.333278 0.415293 Te\n0.666631 0.333260 0.521120 Te\n0.333355 0.666710 0.098259 Mo\n0.333301 0.666602 0.468223 Mo\n0.666680 0.333361 0.274524 Mo\n0.666661 0.333321 0.661943 Mo\n0.333346 0.666693 0.320909 Se\n0.333326 0.666655 0.708282 Se\n0.333347 0.666695 0.228121 Se\n0.333327 0.666655 0.615523 Se\n0.666694 0.333384 0.056026 S\n0.666690 0.333376 0.140525 S\n",
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{
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"created_at": "2022-09-04T14:38:36.206256Z",
"updated_at": "2022-09-04T14:38:36.206275Z",
"structure_string": "Te2 Mo4 Se2 S4\n1.0\n3.312663 0.000000 0.000000\n-1.656331 2.868847 -0.000061\n0.000000 -0.000995 35.876017\nTe Mo Se S\n2 4 2 4\ndirect\n0.666649 0.333299 0.417142 Te\n0.666712 0.333425 0.524057 Te\n0.333280 0.666560 0.098212 Mo\n0.333348 0.666696 0.470588 Mo\n0.666616 0.333234 0.275496 Mo\n0.666755 0.333509 0.658622 Mo\n0.333289 0.666579 0.322284 Se\n0.333280 0.666559 0.228699 Se\n0.333426 0.666853 0.701172 S\n0.666609 0.333216 0.055638 S\n0.666619 0.333236 0.140819 S\n0.333415 0.666831 0.616018 S\n",
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{
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"created_at": "2022-09-04T14:38:06.182350Z",
"updated_at": "2022-09-04T14:38:06.182376Z",
"structure_string": "Te2 Mo3 Se2 S2\n1.0\n3.358007 -0.000003 -0.000001\n-1.679006 2.896094 0.265089\n-0.000003 2.039330 20.427738\nTe Mo Se S\n2 3 2 2\ndirect\n0.726616 0.453230 0.592017 Te\n0.600607 0.201214 0.780268 Te\n0.439592 0.879186 0.020606 Mo\n0.330309 0.660617 0.686129 Mo\n0.563397 0.126793 0.334248 Mo\n0.174876 0.349754 0.416697 Se\n0.285338 0.570677 0.251693 Se\n0.823228 0.646455 -0.054544 S\n0.722638 0.445274 0.095727 S\n",
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]
}