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{
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"structure_string": "Ni5 Se4 Br2 O12\n1.0\n6.244640 0.013676 1.748055\n0.326397 7.019223 2.869615\n0.081391 -0.059226 7.680023\nNi Se Br O\n5 4 2 12\ndirect\n0.368908 0.309802 0.582269 Ni\n0.822906 0.873900 0.648106 Ni\n0.500000 0.000000 0.000000 Ni\n0.631092 0.690198 0.417731 Ni\n0.177094 0.126100 0.351894 Ni\n0.840752 0.307886 0.691248 Se\n0.159248 0.692113 0.308752 Se\n0.290331 0.833703 0.773866 Se\n0.709670 0.166297 0.226134 Se\n0.705313 0.659012 0.020011 Br\n0.294688 0.340988 0.979989 Br\n0.338412 0.595518 0.456785 O\n0.230645 0.927911 0.211719 O\n0.662560 0.953611 0.207738 O\n0.769355 0.072088 0.788281 O\n0.918890 0.696862 0.481368 O\n0.081111 0.303138 0.518632 O\n0.457310 0.202925 0.367999 O\n0.337440 0.046389 0.792262 O\n0.861481 0.094450 0.394850 O\n0.542690 0.797075 0.632000 O\n0.661588 0.404481 0.543215 O\n0.138519 0.905550 0.605150 O\n",
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{
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"structure_string": "Th4 Se8 O28\n1.0\n7.054938 0.014153 0.000000\n-2.038080 8.851224 0.000000\n0.000000 0.000000 9.652907\nTh Se O\n4 8 28\ndirect\n0.789971 0.132984 0.460006 Th\n0.789970 0.632983 0.039994 Th\n0.210030 0.867016 0.539994 Th\n0.210030 0.367016 0.960006 Th\n0.671966 0.248045 0.096142 Se\n0.877586 0.983260 0.819408 Se\n0.122414 0.516739 0.319408 Se\n0.671966 0.748044 0.403858 Se\n0.122414 0.016739 0.180592 Se\n0.328034 0.751955 0.903858 Se\n0.328034 0.251955 0.596142 Se\n0.877586 0.483260 0.680592 Se\n0.271941 0.646348 0.414872 O\n0.257492 0.474654 0.191258 O\n0.548528 0.889994 0.442589 O\n0.271941 0.146348 0.085128 O\n0.103644 0.124585 0.562084 O\n0.952612 0.136793 0.915250 O\n0.451472 0.110005 0.557411 O\n0.896356 0.875414 0.437917 O\n0.952612 0.636793 0.584751 O\n0.060478 0.406437 0.732448 O\n0.896356 0.375414 0.062083 O\n0.728059 0.353651 0.585129 O\n0.060478 0.906437 0.767552 O\n0.742508 0.025346 0.691259 O\n0.658716 0.245775 0.273082 O\n0.341284 0.754225 0.726919 O\n0.257492 0.974653 0.308742 O\n0.728059 0.853651 0.914872 O\n0.939522 0.093562 0.232448 O\n0.341284 0.254225 0.773082 O\n0.548528 0.389994 0.057411 O\n0.047388 0.363206 0.415250 O\n0.451472 0.610005 0.942589 O\n0.103644 0.624585 0.937917 O\n0.742508 0.525346 0.808742 O\n0.047388 0.863206 0.084750 O\n0.939522 0.593562 0.267552 O\n0.658716 0.745774 0.226918 O\n",
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{
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"structure_string": "Ag4 Sb4 Pb4 S12\n1.0\n5.999341 0.043592 0.000000\n-0.243523 7.685208 0.000000\n0.000000 0.000000 12.795199\nAg Sb Pb S\n4 4 4 12\ndirect\n0.224889 0.883921 0.741598 Ag\n0.775111 0.116079 0.258402 Ag\n0.775111 0.616079 0.241598 Ag\n0.224889 0.383921 0.758402 Ag\n0.735219 0.635373 0.911481 Sb\n0.264781 0.864627 0.411480 Sb\n0.264781 0.364627 0.088520 Sb\n0.735219 0.135373 0.588520 Sb\n0.251802 0.853710 0.082847 Pb\n0.251802 0.353709 0.417153 Pb\n0.748199 0.646291 0.582847 Pb\n0.748198 0.146290 0.917153 Pb\n0.856741 0.360313 0.125339 S\n0.260605 0.648755 0.560354 S\n0.143259 0.139687 0.625339 S\n0.260604 0.148755 0.939646 S\n0.739396 0.351245 0.439646 S\n0.143259 0.639687 0.874661 S\n0.856741 0.860313 0.374661 S\n0.739396 0.851245 0.060354 S\n0.340210 0.637245 0.277251 S\n0.340210 0.137245 0.222749 S\n0.659790 0.862755 0.777251 S\n0.659790 0.362755 0.722749 S\n",
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{
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"structure_string": "Nb4 Tl2 P2 S20\n1.0\n6.774924 0.000000 -1.731747\n0.000000 7.413830 0.000000\n0.034494 0.000000 12.996302\nNb Tl P S\n4 2 2 20\ndirect\n0.841311 0.443254 0.158960 Nb\n0.341311 0.556746 0.658960 Nb\n0.544854 0.435042 0.870286 Nb\n0.044855 0.564958 0.370286 Nb\n0.870043 0.993208 0.614250 Tl\n0.370043 0.006792 0.114250 Tl\n0.824433 0.092999 0.989859 P\n0.324433 0.907001 0.489859 P\n0.470819 0.450122 0.054693 S\n0.533060 0.091195 0.902238 S\n0.693203 0.636552 0.281589 S\n0.343262 0.912025 0.651706 S\n0.634722 0.666611 0.023543 S\n0.703754 0.611535 0.748399 S\n0.736123 0.372449 0.325239 S\n0.193203 0.363448 0.781589 S\n0.915329 0.359137 0.972917 S\n0.135745 0.648876 0.196910 S\n0.843262 0.087975 0.151706 S\n0.635745 0.351124 0.696909 S\n0.970818 0.549878 0.554693 S\n0.236123 0.627551 0.825238 S\n0.203755 0.388465 0.248400 S\n0.134722 0.333389 0.523543 S\n0.415330 0.640863 0.472917 S\n0.033061 0.908805 0.402238 S\n0.483763 0.094827 0.440087 S\n0.983762 0.905173 0.940087 S\n",
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{
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"created_at": "2022-09-04T14:36:18.488686Z",
"updated_at": "2022-09-04T14:36:18.488721Z",
"structure_string": "Na8 Li12 Fe4 O16\n1.0\n6.554113 0.000000 0.000000\n0.000000 7.941422 -0.000000\n0.000000 -0.000000 8.270408\nNa Li Fe O\n8 12 4 16\ndirect\n0.758230 0.000000 0.500000 Na\n0.000000 0.256464 0.750227 Na\n0.000000 0.743535 0.249773 Na\n0.500000 0.756464 0.749773 Na\n0.500000 0.243536 0.250227 Na\n0.741769 0.500000 0.000000 Na\n0.258230 0.500000 0.000000 Na\n0.241769 0.000000 0.500000 Na\n0.756136 0.511989 0.647672 Li\n0.743863 0.988010 0.147672 Li\n0.743863 0.011989 0.852328 Li\n0.243863 0.511989 0.647672 Li\n0.243863 0.488010 0.352328 Li\n0.500000 0.232877 0.911563 Li\n0.756136 0.488010 0.352328 Li\n0.256137 0.988010 0.147672 Li\n0.000000 0.267122 0.411563 Li\n0.000000 0.732877 0.588437 Li\n0.256137 0.011989 0.852328 Li\n0.500000 0.767122 0.088437 Li\n0.000000 0.773101 0.878924 Fe\n0.000000 0.226899 0.121077 Fe\n0.500000 0.273101 0.621077 Fe\n0.500000 0.726899 0.378923 Fe\n0.246477 0.804501 0.991493 O\n0.000000 0.558380 0.775532 O\n0.000000 0.441620 0.224469 O\n0.500000 0.058380 0.724469 O\n0.500000 0.941620 0.275531 O\n0.246477 0.195498 0.008508 O\n0.753522 0.804501 0.991493 O\n0.746477 0.304502 0.508508 O\n0.500000 0.547912 0.222892 O\n0.500000 0.452088 0.777108 O\n0.000000 0.047912 0.277108 O\n0.000000 0.952088 0.722892 O\n0.253523 0.304502 0.508508 O\n0.253523 0.695498 0.491493 O\n0.753522 0.195498 0.008508 O\n0.746477 0.695498 0.491493 O\n",
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"created_at": "2022-09-04T14:36:14.708274Z",
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"structure_string": "Cu8 Se4 O16\n1.0\n5.978929 0.000000 0.000000\n0.000000 7.083881 -0.273800\n0.000000 -0.010302 8.453628\nCu Se O\n8 4 16\ndirect\n0.698759 0.252615 0.757610 Cu\n0.198759 0.247385 0.742390 Cu\n0.301241 0.747385 0.242390 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.801241 0.752615 0.257610 Cu\n0.576309 0.733467 0.898204 Se\n0.423691 0.266534 0.101797 Se\n0.076309 0.766534 0.601797 Se\n0.923692 0.233466 0.398204 Se\n0.210495 0.418344 0.163270 O\n0.433229 0.316970 0.898196 O\n0.710495 0.081656 0.336730 O\n0.214939 0.552673 0.600879 O\n0.040445 0.752917 0.095167 O\n0.066771 0.816970 0.398196 O\n0.785061 0.447327 0.399121 O\n0.285061 0.052673 0.100879 O\n0.289505 0.918344 0.663270 O\n0.789505 0.581656 0.836730 O\n0.540445 0.747083 0.404833 O\n0.933229 0.183030 0.601804 O\n0.566771 0.683030 0.101804 O\n0.714939 0.947327 0.899121 O\n0.959555 0.247083 0.904833 O\n0.459555 0.252917 0.595167 O\n",
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"structure_string": "In4 Ag4 Ge2 S12\n1.0\n6.857994 0.030294 2.075656\n3.017837 6.158381 2.075656\n0.024866 0.015583 12.339917\nIn Ag Ge S\n4 4 2 12\ndirect\n0.321279 0.514333 0.439833 In\n0.167850 0.301991 0.243755 In\n0.301992 0.167850 0.743755 In\n0.514335 0.321277 0.939834 In\n0.804865 0.988408 0.243741 Ag\n0.808712 0.385538 0.591185 Ag\n0.385539 0.808712 0.091185 Ag\n0.988410 0.804863 0.743741 Ag\n0.932524 0.407308 0.999121 Ge\n0.407310 0.932523 0.499121 Ge\n0.060178 0.517199 0.628654 S\n0.647468 0.165638 0.758625 S\n0.360731 0.829325 0.689641 S\n0.116401 0.602749 0.949969 S\n0.633417 0.608365 0.919758 S\n0.517199 0.060177 0.128654 S\n0.829325 0.360729 0.189641 S\n0.165639 0.647468 0.258624 S\n0.602749 0.116399 0.449969 S\n0.086815 0.097909 0.442921 S\n0.608366 0.633416 0.419758 S\n0.097910 0.086814 0.942921 S\n",
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