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{
"id": "jvasp-47638",
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"structure_string": "Li3 Cr1 Co2 O6\n1.0\n2.821266 0.004722 -0.002137\n-0.009592 5.765965 0.026837\n-1.403437 -1.514530 6.077420\nLi Cr Co O\n3 1 2 6\ndirect\n0.001622 0.495364 0.007761 Li\n0.331454 0.165199 0.667307 Li\n0.661312 0.835049 0.326854 Li\n0.331472 0.665190 0.667291 Cr\n0.998132 0.000154 0.000621 Co\n0.664790 0.330229 0.333961 Co\n0.492532 0.764608 0.989421 O\n0.826438 0.420759 0.657222 O\n0.156238 0.097688 0.316841 O\n0.836503 0.909628 0.677357 O\n0.170392 0.565776 0.345161 O\n0.506678 0.232693 0.017738 O\n",
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{
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"updated_at": "2022-09-04T14:37:06.288970Z",
"structure_string": "H10 C2 N2 O4\n1.0\n3.676312 0.000000 -0.023144\n0.000000 4.682964 0.000000\n0.131135 0.000000 9.080268\nH C N O\n10 2 2 4\ndirect\n0.826134 0.963787 0.586726 H\n0.488939 0.438813 0.271239 H\n0.158114 0.261841 0.020400 H\n0.850948 0.107199 0.901462 H\n0.488938 0.561186 0.771239 H\n0.173029 0.901488 0.989875 H\n0.173029 0.098511 0.489875 H\n0.850948 0.892800 0.401462 H\n0.158113 0.738158 0.520400 H\n0.826135 0.036213 0.086727 H\n0.496424 0.620018 0.191496 C\n0.496423 0.379981 0.691496 C\n0.002081 0.078534 0.998103 N\n0.002081 0.921465 0.498103 N\n0.404245 0.569795 0.059694 O\n0.597379 0.861805 0.239509 O\n0.597379 0.138194 0.739509 O\n0.404245 0.430204 0.559694 O\n",
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{
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"created_at": "2022-09-04T14:36:54.763893Z",
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"structure_string": "La2 Ge4 Pd2 Rh2\n1.0\n4.423552 -0.000000 0.000000\n0.000000 4.423552 0.000000\n-0.000000 -0.000000 9.909768\nLa Ge Pd Rh\n2 4 2 2\ndirect\n-0.000000 0.500000 0.255276 La\n0.500000 0.000000 0.744725 La\n-0.000000 0.500000 0.867702 Ge\n0.500000 0.000000 0.132298 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.500000 Ge\n0.500000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n-0.000000 0.500000 0.621134 Rh\n0.500000 0.000000 0.378866 Rh\n",
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{
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"structure_string": "K1 Na2 Sc1 F6\n1.0\n5.458840 -0.000000 3.151662\n1.819613 5.146643 3.151662\n-0.000000 -0.000000 6.303324\nK Na Sc F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sc\n0.774237 0.225763 0.225763 F\n0.225763 0.225763 0.774236 F\n0.225763 0.774237 0.774236 F\n0.225763 0.774237 0.225763 F\n0.774237 0.225763 0.774236 F\n0.774237 0.774237 0.225763 F\n",
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{
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"created_at": "2022-09-04T14:37:07.768578Z",
"updated_at": "2022-09-04T14:37:07.768598Z",
"structure_string": "H12 C12 S2 O2\n1.0\n5.634312 -0.096339 1.126032\n0.299914 6.939423 2.038735\n-0.077969 -0.046931 7.495953\nH C S O\n12 12 2 2\ndirect\n0.672919 0.037573 0.794543 H\n0.235380 0.246518 0.427980 H\n0.400974 0.125525 0.088380 H\n0.565298 0.053390 0.431010 H\n0.749747 0.316428 0.359996 H\n0.831053 0.249832 0.942855 H\n0.309512 0.225343 0.800862 H\n0.058321 0.570691 0.814978 H\n0.070114 0.385240 0.572602 H\n0.152175 0.301199 0.113690 H\n0.984153 0.942703 0.747450 H\n0.974210 0.641971 0.268192 H\n0.647844 0.773221 0.383333 C\n0.246439 0.318793 0.537694 C\n0.339652 0.275966 0.065168 C\n0.709726 0.966574 0.367878 C\n0.796267 0.914539 0.799449 C\n0.721890 0.732336 0.864144 C\n0.667443 0.450359 0.384908 C\n0.497275 0.418559 0.992436 C\n0.789203 0.622678 0.336070 C\n0.867983 0.559496 0.865050 C\n0.749916 0.393417 0.931098 C\n0.431340 0.469474 0.466415 C\n0.424839 0.666382 0.959780 S\n0.363385 0.699177 0.483168 S\n0.905307 0.036423 0.293388 O\n0.301358 0.168726 0.696505 O\n",
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{
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"created_at": "2022-09-04T14:37:07.705344Z",
"updated_at": "2022-09-04T14:37:07.705361Z",
"structure_string": "Rb4 Nb2 Cu2 S8\n1.0\n5.453414 -0.000000 1.279318\n2.726707 6.716190 0.639660\n0.025505 -0.000000 12.154208\nRb Nb Cu S\n4 2 2 8\ndirect\n0.803300 0.750000 0.393400 Rb\n0.446700 0.750000 0.106601 Rb\n0.196699 0.250000 0.606601 Rb\n0.553299 0.250000 0.893400 Rb\n0.375000 0.250000 0.250000 Nb\n0.624999 0.750000 0.750000 Nb\n0.874999 0.250000 0.250000 Cu\n0.125000 0.750000 0.750000 Cu\n0.227525 0.947946 0.860443 S\n0.535914 0.552054 0.639557 S\n0.824528 0.947946 0.639557 S\n0.912030 0.552054 0.860443 S\n0.087969 0.447946 0.139557 S\n0.464085 0.447946 0.360443 S\n0.175471 0.052054 0.360443 S\n0.772474 0.052054 0.139557 S\n",
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{
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"created_at": "2022-09-04T14:37:07.261614Z",
"updated_at": "2022-09-04T14:37:07.261642Z",
"structure_string": "Ca3 Mn2 Ga2 O10\n1.0\n5.342267 -0.027068 0.010486\n-0.075295 5.621336 0.007361\n-2.513770 -2.605527 6.944345\nCa Mn Ga O\n3 2 2 10\ndirect\n0.399431 0.875620 0.811208 Ca\n0.102038 0.566393 0.218457 Ca\n0.886335 0.428981 0.770354 Ca\n0.989277 -0.001589 0.012811 Mn\n0.493365 0.486180 0.009990 Mn\n0.296205 0.169408 0.494465 Ga\n0.780585 0.838693 0.489823 Ga\n0.198877 0.229948 0.957531 O\n0.228141 0.762853 0.024689 O\n0.083337 0.195537 0.267397 O\n0.810292 0.805188 0.725938 O\n0.142619 0.869590 0.504948 O\n0.320997 0.433710 0.720822 O\n0.713234 0.244940 0.957772 O\n0.637822 0.133237 0.491998 O\n0.583841 0.562901 0.272141 O\n0.748763 0.742636 0.031539 O\n",
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{
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{
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"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.387679 0.000001 0.000000\n-1.693839 2.933795 -0.000011\n-0.000003 -0.000148 38.313212\nTe Mo W Se\n2 2 2 6\ndirect\n0.666641 0.333282 0.420479 Te\n0.666648 0.333294 0.518816 Te\n0.333314 0.666628 0.469660 Mo\n0.666683 0.333364 0.281743 Mo\n0.333311 0.666620 0.093939 W\n0.666692 0.333382 0.657558 W\n0.333354 0.666708 0.324978 Se\n0.333368 0.666734 0.700771 Se\n0.666639 0.333278 0.050720 Se\n0.666643 0.333285 0.137357 Se\n0.333349 0.666698 0.238574 Se\n0.333357 0.666714 0.614155 Se\n",
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{
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"created_at": "2022-09-04T14:36:55.491499Z",
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"structure_string": "Sn1 H4 C3 O6\n1.0\n4.732252 0.076801 -0.250544\n-0.059077 5.380664 -1.591464\n0.016835 -0.204433 5.712492\nSn H C O\n1 4 3 6\ndirect\n0.294138 0.932431 0.074665 Sn\n0.765029 0.192556 0.729938 H\n0.468678 0.367452 0.657935 H\n0.397574 0.608250 0.289400 H\n0.245008 0.950670 0.645629 H\n0.844039 0.574608 0.821756 C\n0.787980 0.256591 0.388118 C\n0.697927 0.344043 0.652765 C\n0.355632 0.789372 0.352456 O\n0.191281 0.069389 0.808443 O\n0.113037 0.578815 0.839328 O\n0.705135 0.761793 0.953658 O\n0.596323 0.238966 0.216701 O\n0.045233 0.201966 0.347565 O\n",
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}