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"structure_string": "Mg4 Cu2 Sb2 O12\n1.0\n0.000000 5.405380 -0.019144\n7.373995 0.000000 0.000000\n0.000000 -1.019975 -5.393248\nMg Cu Sb O\n4 2 2 12\ndirect\n0.465950 0.750000 0.419532 Mg\n0.534049 0.250000 0.580468 Mg\n0.935564 0.750000 0.972154 Mg\n0.064436 0.250000 0.027846 Mg\n0.500000 0.500000 -0.000000 Cu\n0.500000 0.000000 -0.000000 Cu\n-0.000000 0.500000 0.500000 Sb\n-0.000000 0.000000 0.500000 Sb\n0.354449 0.554698 0.673360 O\n0.596996 0.750000 0.080079 O\n0.645550 0.054698 0.326640 O\n0.127463 0.250000 0.410393 O\n0.135107 0.927243 0.207742 O\n0.864892 0.072758 0.792258 O\n0.135107 0.572758 0.207742 O\n0.354449 0.945303 0.673360 O\n0.872536 0.750000 0.589607 O\n0.645550 0.445303 0.326640 O\n0.864892 0.427242 0.792258 O\n0.403003 0.250000 0.919921 O\n",
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{
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{
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"structure_string": "Ba2 Tm4 O8\n1.0\n3.393052 0.000000 0.000000\n-1.696526 5.579194 -0.000000\n0.000000 0.000000 11.365577\nBa Tm O\n2 4 8\ndirect\n0.113013 0.226026 0.250000 Ba\n0.886985 0.773973 0.750000 Ba\n0.365525 0.731054 0.429857 Tm\n0.365525 0.731054 0.070143 Tm\n0.634473 0.268946 0.570143 Tm\n0.634473 0.268946 0.929857 Tm\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.433171 0.866345 0.250000 O\n0.260088 0.520179 0.600776 O\n0.260088 0.520179 0.899225 O\n0.566827 0.133654 0.750000 O\n0.739910 0.479820 0.399224 O\n0.739910 0.479820 0.100776 O\n",
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"created_at": "2022-09-04T14:36:18.127029Z",
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"structure_string": "Ba4 Si1 Rh1\n1.0\n0.000000 4.756000 4.756000\n4.756000 0.000000 4.756000\n4.756000 4.756000 -0.000000\nBa Si Rh\n4 1 1\ndirect\n0.124925 0.625025 0.625025 Ba\n0.625025 0.625025 0.625025 Ba\n0.625025 0.124925 0.625025 Ba\n0.625025 0.625025 0.124925 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Rh\n",
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{
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"created_at": "2022-09-04T14:36:49.171279Z",
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"structure_string": "U5 P4 S1\n1.0\n3.922189 0.002389 15.616543\n1.933123 3.412713 15.616543\n0.004096 0.002389 16.101552\nU P S\n5 4 1\ndirect\n0.599308 0.599307 0.599307 U\n0.400693 0.400693 0.400692 U\n0.000000 0.000000 0.000000 U\n0.199343 0.199343 0.199342 U\n0.800658 0.800657 0.800657 U\n0.100867 0.100867 0.100867 P\n0.700332 0.700331 0.700331 P\n0.299669 0.299669 0.299668 P\n0.899134 0.899133 0.899133 P\n0.500000 0.500000 0.500000 S\n",
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{
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"created_at": "2022-09-04T14:36:58.163684Z",
"updated_at": "2022-09-04T14:36:58.163694Z",
"structure_string": "In1 Ga1 Ag2 Se4\n1.0\n5.523892 0.000161 -4.653176\n-1.195025 5.393079 -4.653176\n-0.000129 -0.000161 7.222563\nIn Ga Ag Se\n1 1 2 4\ndirect\n0.499999 0.500000 -0.000001 In\n0.749999 0.250000 0.499999 Ga\n0.249999 0.750000 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n0.104811 0.134475 0.501520 Se\n0.632954 0.603291 0.498478 Se\n0.396708 0.895189 0.029662 Se\n0.865524 0.367046 0.970335 Se\n",
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"structure_string": "Li1 Sb1 Te3 O12\n1.0\n0.000000 4.815987 -0.009497\n8.538039 0.000000 0.000000\n0.000000 -0.031960 -5.232938\nLi Sb Te O\n1 1 3 12\ndirect\n0.500000 0.793482 0.500000 Li\n0.000000 0.902577 0.000000 Sb\n0.500000 0.583777 0.000000 Te\n0.500000 0.397961 0.500000 Te\n-0.000000 0.086759 0.500000 Te\n0.783268 0.070171 0.806575 O\n0.246234 0.248293 0.645407 O\n0.222217 0.922140 0.676783 O\n0.289145 0.572892 0.677940 O\n0.710856 0.572892 0.322061 O\n0.753767 0.248293 0.354594 O\n0.738824 0.741913 0.851224 O\n0.216732 0.070171 0.193426 O\n0.261176 0.741913 0.148777 O\n0.284503 0.418673 0.183241 O\n0.777784 0.922140 0.323218 O\n0.715497 0.418673 0.816760 O\n",
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{
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"structure_string": "Ti1 H12 C7 O4\n1.0\n4.779045 -0.081388 0.619585\n0.025747 5.721700 1.116901\n-0.091476 0.196992 7.896530\nTi H C O\n1 12 7 4\ndirect\n0.958172 0.780676 0.771630 Ti\n0.277888 0.557771 0.537795 H\n-0.055330 0.418033 0.619649 H\n0.031214 0.923988 0.051228 H\n-0.026715 0.180004 0.885298 H\n0.317929 0.062256 0.897458 H\n0.967078 0.680908 0.449352 H\n0.717404 0.329947 0.382239 H\n0.346684 0.003231 0.250340 H\n0.638075 0.128993 0.107684 H\n0.321668 0.493816 0.255226 H\n0.103918 0.340933 0.151056 H\n0.853971 0.058279 0.359898 H\n0.322091 0.380309 0.160067 C\n0.490765 0.154878 0.218237 C\n0.655924 0.151604 0.373318 C\n0.503712 0.034249 0.548345 C\n0.054183 0.588211 0.567984 C\n0.095064 0.018790 0.915388 C\n0.439626 0.524815 0.984759 C\n0.705078 0.570812 0.958560 O\n0.661482 0.957910 0.672255 O\n0.244511 0.009051 0.570086 O\n0.281048 0.594407 0.868612 O\n",
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"structure_string": "Ti2 Br6\n1.0\n5.721277 0.040831 4.375675\n2.185106 5.287719 4.375676\n0.060583 0.040829 7.202490\nTi Br\n2 6\ndirect\n0.333368 0.333368 0.333368 Ti\n0.666633 0.666632 0.666632 Ti\n0.740778 0.421471 0.080647 Br\n0.919353 0.259223 0.578530 Br\n0.259223 0.578529 0.919353 Br\n0.421471 0.080647 0.740777 Br\n0.578530 0.919353 0.259223 Br\n0.080648 0.740777 0.421471 Br\n",
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}