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{
"id": "jvasp-25035",
"created_at": "2022-09-04T14:37:55.024693Z",
"updated_at": "2022-09-04T14:37:55.024702Z",
"structure_string": "Te4 O4 F8\n1.0\n0.000000 5.329418 0.100999\n7.993910 0.000000 0.000000\n0.000000 -0.728147 -5.622764\nTe O F\n4 4 8\ndirect\n0.480402 0.137638 0.645044 Te\n0.884830 0.908660 0.053940 Te\n0.519598 0.637638 0.354955 Te\n0.115169 0.408660 0.946059 Te\n0.302437 0.611872 0.046540 O\n0.622742 0.856619 0.253796 O\n0.697563 0.111872 0.953459 O\n0.377258 0.356619 0.746203 O\n0.362015 0.327670 0.254648 F\n0.637984 0.827670 0.745351 F\n0.030991 0.063124 0.306041 F\n0.221438 0.764171 0.430182 F\n0.969009 0.563124 0.693959 F\n0.808580 0.558746 0.161903 F\n0.778562 0.264171 0.569817 F\n0.191419 0.058746 0.838096 F\n",
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{
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"structure_string": "Te4 O4 F8\n1.0\n5.328748 -0.111635 0.000000\n-0.716227 5.624634 0.000000\n0.000000 0.000000 7.993949\nTe O F\n4 4 8\ndirect\n0.519616 0.354992 0.137652 Te\n0.115199 0.946150 0.908654 Te\n0.480384 0.645008 0.637652 Te\n0.884801 0.053850 0.408654 Te\n0.697521 0.953400 0.611860 O\n0.377245 0.746194 0.856628 O\n0.302479 0.046601 0.111860 O\n0.622755 0.253806 0.356628 O\n0.637870 0.745369 0.327626 F\n0.362130 0.254631 0.827626 F\n0.968995 0.694111 0.063128 F\n0.778558 0.569782 0.764183 F\n0.031005 0.305889 0.563128 F\n0.191332 0.838033 0.558771 F\n0.221441 0.430218 0.264183 F\n0.808668 0.161967 0.058771 F\n",
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{
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"created_at": "2022-09-04T14:35:46.429725Z",
"updated_at": "2022-09-04T14:35:46.429752Z",
"structure_string": "Te4 O12\n1.0\n5.202465 0.000000 0.000000\n0.000000 4.820473 0.000000\n0.000000 0.000000 8.485175\nTe O\n4 12\ndirect\n0.000000 0.000000 0.099427 Te\n0.000000 0.500000 0.414633 Te\n0.500000 0.000000 0.914633 Te\n0.500000 0.500000 0.599428 Te\n0.142836 0.250000 0.257030 O\n0.184880 0.282281 0.580868 O\n0.184880 0.217718 0.933192 O\n0.315120 0.717718 0.433192 O\n0.315120 0.782281 0.080868 O\n0.357165 0.749999 0.757030 O\n0.642836 0.250000 0.757030 O\n0.684881 0.217719 0.080868 O\n0.684880 0.282282 0.433192 O\n0.815121 0.782281 0.933192 O\n0.815121 0.717719 0.580868 O\n0.857165 0.750000 0.257030 O\n",
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"formula_full": "Te4 O12",
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{
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"created_at": "2022-09-04T14:38:13.141271Z",
"updated_at": "2022-09-04T14:38:13.141298Z",
"structure_string": "Te4 O12\n1.0\n5.051404 0.000117 0.000703\n-0.000127 5.257806 0.000738\n-0.001013 -0.001066 7.331881\nTe O\n4 12\ndirect\n0.500015 -0.000021 0.000002 Te\n0.000012 0.499978 0.000004 Te\n-0.000015 0.500018 0.500003 Te\n0.499988 0.000020 0.500002 Te\n0.130848 0.471978 0.749998 O\n0.630849 0.028023 0.250006 O\n0.369152 0.971979 0.750003 O\n0.869150 0.528025 0.249996 O\n0.319531 0.687220 0.435543 O\n0.819549 0.812834 0.564449 O\n0.180457 0.187165 0.064453 O\n0.680466 0.312782 0.935548 O\n0.319584 0.687154 0.064442 O\n0.819574 0.812798 0.935560 O\n0.680409 0.312848 0.564436 O\n0.180428 0.187208 0.435555 O\n",
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{
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"structure_string": "Te4 O10\n1.0\n0.000000 5.479570 0.111187\n4.740387 0.000000 0.000000\n0.000000 -1.962454 -7.721992\nTe O\n4 10\ndirect\n0.856873 0.894766 0.616685 Te\n0.143128 0.394766 0.383314 Te\n0.740223 0.492130 0.985016 Te\n0.259777 0.992130 0.014983 Te\n0.133712 0.046746 0.500749 O\n0.866289 0.546746 0.499251 O\n0.347774 0.176546 0.233425 O\n0.652227 0.676547 0.766574 O\n0.158499 0.783599 0.795921 O\n0.841502 0.283599 0.204078 O\n0.037660 0.729050 0.104784 O\n0.962341 0.229050 0.895215 O\n0.537206 0.728675 0.099863 O\n0.462794 0.228674 0.900136 O\n",
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{
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"created_at": "2022-09-04T14:38:30.367577Z",
"updated_at": "2022-09-04T14:38:30.367604Z",
"structure_string": "Te4 Mo6 S8\n1.0\n1.821522 2.775105 0.000019\n-0.000106 0.000038 -13.601111\n-6.258954 6.093975 0.000029\nTe Mo S\n4 6 8\ndirect\n0.875329 0.613392 0.249326 Te\n0.457992 0.113391 0.084011 Te\n0.458002 0.386608 0.084008 Te\n0.875338 0.886609 0.249324 Te\n0.233710 0.249999 0.532578 Mo\n0.439168 0.750001 0.121676 Mo\n0.894163 0.249999 0.211658 Mo\n0.757981 0.750000 0.484045 Mo\n0.575360 0.249999 0.849290 Mo\n0.099627 0.750001 0.800756 Mo\n0.547565 0.863626 0.904892 S\n0.547556 0.636376 0.904894 S\n0.785773 0.136374 0.428443 S\n0.126605 0.364292 0.746823 S\n0.206743 0.864294 0.586509 S\n0.206734 0.635707 0.586511 S\n0.126596 0.135706 0.746825 S\n0.785781 0.363624 0.428441 S\n",
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"created_at": "2022-09-04T14:37:31.445579Z",
"updated_at": "2022-09-04T14:37:31.445607Z",
"structure_string": "Te4 Mo4 Se4\n1.0\n3.444291 -0.000000 -0.000000\n-1.722146 2.982849 0.000539\n-0.000000 0.006766 36.526088\nTe Mo Se\n4 4 4\ndirect\n0.333347 0.666695 0.327285 Te\n0.666653 0.333306 0.424173 Te\n0.666421 0.332844 0.525990 Te\n0.333578 0.667157 0.225468 Te\n0.333461 0.666922 0.088747 Mo\n0.333202 0.666407 0.475092 Mo\n0.666797 0.333594 0.276366 Mo\n0.666538 0.333079 0.662711 Mo\n0.333090 0.666184 0.707431 Se\n0.666909 0.333817 0.044027 Se\n0.666685 0.333369 0.133556 Se\n0.333315 0.666632 0.617902 Se\n",
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"created_at": "2022-09-04T14:37:45.162063Z",
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"structure_string": "Te4 Mo4 Se4\n1.0\n3.444437 -0.000001 0.000002\n-1.722219 2.982965 -0.000021\n0.000017 -0.000266 36.569479\nTe Mo Se\n4 4 4\ndirect\n0.333348 0.666700 0.332865 Te\n0.333351 0.666702 0.707622 Te\n0.333331 0.666663 0.231190 Te\n0.333355 0.666710 0.605990 Te\n0.333315 0.666626 0.094646 Mo\n0.333325 0.666650 0.469393 Mo\n0.666673 0.333348 0.282026 Mo\n0.666686 0.333372 0.656848 Mo\n0.666645 0.333286 0.049983 Se\n0.666653 0.333304 0.424652 Se\n0.666650 0.333297 0.139401 Se\n0.666664 0.333328 0.514132 Se\n",
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"created_at": "2022-09-04T14:37:09.171999Z",
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"structure_string": "Te4 Mo4 Se4\n1.0\n3.444453 -0.000000 -0.000001\n-1.722227 2.982974 -0.000010\n-0.000010 -0.000140 35.655793\nTe Mo Se\n4 4 4\ndirect\n0.333348 0.666688 0.710749 Te\n0.666650 0.333311 0.040709 Te\n0.666652 0.333314 0.144937 Te\n0.333346 0.666685 0.606521 Te\n0.333316 0.666643 0.092778 Mo\n0.333355 0.666716 0.466461 Mo\n0.666642 0.333283 0.284997 Mo\n0.666681 0.333356 0.658680 Mo\n0.333316 0.666629 0.330855 Se\n0.666682 0.333368 0.420603 Se\n0.666690 0.333383 0.512354 Se\n0.333308 0.666615 0.239104 Se\n",
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"created_at": "2022-09-04T14:37:36.187991Z",
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"structure_string": "Te4 Mo4 Se2 S2\n1.0\n3.407850 0.000000 0.000000\n-1.703924 2.951152 0.005223\n-0.000000 -0.050083 27.130330\nTe Mo Se S\n4 4 2 2\ndirect\n0.332878 0.665756 0.812388 Te\n0.666909 0.333815 -0.056389 Te\n0.666959 0.333914 0.081919 Te\n0.332844 0.665685 0.674126 Te\n0.333588 0.667176 0.012734 Mo\n0.333715 0.667428 0.489118 Mo\n0.666492 0.332982 0.257802 Mo\n0.666205 0.332409 0.743259 Mo\n0.667043 0.334083 0.428407 Se\n0.667070 0.334138 0.549821 Se\n0.333164 0.666328 0.313089 S\n0.333142 0.666285 0.202475 S\n",
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"created_at": "2022-09-04T14:37:54.035364Z",
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"structure_string": "Te4 Mo4 Se2 S2\n1.0\n3.406218 0.000000 0.000000\n-1.703108 2.949880 0.000053\n0.000000 0.000408 37.220349\nTe Mo Se S\n4 4 2 2\ndirect\n0.333322 0.666645 0.326357 Te\n0.666648 0.333296 0.421883 Te\n0.666632 0.333262 0.522661 Te\n0.333343 0.666689 0.225512 Te\n0.333392 0.666784 0.097201 Mo\n0.333303 0.666606 0.472290 Mo\n0.666669 0.333339 0.275964 Mo\n0.666637 0.333274 0.657503 Mo\n0.333293 0.666587 0.701713 Se\n0.333307 0.666615 0.613214 Se\n0.666733 0.333466 0.056886 S\n0.666721 0.333440 0.137564 S\n",
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{
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"created_at": "2022-09-04T14:38:36.591622Z",
"updated_at": "2022-09-04T14:38:36.591658Z",
"structure_string": "Te4 Mo4 S4\n1.0\n1.852073 2.816569 0.000009\n0.000112 -0.000002 -14.047810\n-4.819575 3.169188 0.000140\nTe Mo S\n4 4 4\ndirect\n0.499992 0.610819 0.900316 Te\n0.500010 0.110822 0.099662 Te\n0.000008 0.389182 0.599683 Te\n-0.000010 0.889177 0.400338 Te\n0.499996 0.750509 0.232458 Mo\n0.500004 0.250512 0.767536 Mo\n0.999996 0.749486 0.732462 Mo\n0.000004 0.249493 0.267549 Mo\n0.500000 0.353057 0.101273 S\n0.499998 0.853055 0.898757 S\n0.000000 0.646942 0.398727 S\n0.000001 0.146943 0.601249 S\n",
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}