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{
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{
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{
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"structure_string": "Na1 Mg14 Fe1 O16\n1.0\n8.548516 0.000000 0.000000\n0.000000 8.548516 0.000000\n0.000000 0.000000 4.288853\nNa Mg Fe O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.254826 0.500000 Mg\n0.000000 0.745174 0.500000 Mg\n0.500000 0.254808 0.500000 Mg\n0.500000 0.745192 0.500000 Mg\n0.254826 0.000000 0.500000 Mg\n0.254808 0.500000 0.500000 Mg\n0.745174 0.000000 0.500000 Mg\n0.745192 0.500000 0.500000 Mg\n0.255622 0.255622 0.000000 Mg\n0.255622 0.744378 0.000000 Mg\n0.744378 0.255622 0.000000 Mg\n0.744378 0.744378 0.000000 Mg\n0.000000 0.000000 0.000000 Fe\n0.239322 0.000000 0.000000 O\n0.233973 0.500000 0.000000 O\n0.760678 0.000000 0.000000 O\n0.766027 0.500000 0.000000 O\n0.247727 0.247727 0.500000 O\n0.247727 0.752273 0.500000 O\n0.752273 0.247727 0.500000 O\n0.752273 0.752273 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.239322 0.000000 O\n0.000000 0.760678 0.000000 O\n0.500000 0.233973 0.000000 O\n0.500000 0.766027 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:41:14.655933Z",
"structure_string": "Te6 Mo1 W3 S2\n1.0\n1.728688 -2.994176 0.000000\n1.728688 2.994176 0.000000\n0.000000 0.000000 39.428291\nTe Mo W S\n6 1 3 2\ndirect\n0.000000 0.000000 0.328890 Te\n0.000000 0.000000 0.704702 Te\n0.333333 0.666667 0.422522 Te\n0.333333 0.666667 0.516780 Te\n0.000000 0.000000 0.234585 Te\n0.000000 0.000000 0.610424 Te\n0.000000 0.000000 0.093955 Mo\n0.000000 0.000000 0.469669 W\n0.333333 0.666667 0.281757 W\n0.333333 0.666667 0.657582 W\n0.333333 0.666667 0.056128 S\n0.333333 0.666667 0.131755 S\n",
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{
"id": "mp-1033680",
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"structure_string": "Hf1 Mg14 Cd1 O16\n1.0\n8.773001 0.000000 0.000000\n0.000000 8.773001 -0.000000\n0.000000 0.000000 4.350135\nHf Mg Cd O\n1 14 1 16\ndirect\n0.500000 0.500000 -0.000000 Hf\n-0.000000 0.500000 -0.000000 Mg\n0.500000 0.000000 -0.000000 Mg\n-0.000000 0.252136 0.500000 Mg\n-0.000000 0.747864 0.500000 Mg\n0.500000 0.240012 0.500000 Mg\n0.500000 0.759988 0.500000 Mg\n0.252136 0.000000 0.500000 Mg\n0.240012 0.500000 0.500000 Mg\n0.747864 -0.000000 0.500000 Mg\n0.759988 0.500000 0.500000 Mg\n0.243559 0.243559 0.000000 Mg\n0.243559 0.756441 0.000000 Mg\n0.756441 0.243559 -0.000000 Mg\n0.756441 0.756441 -0.000000 Mg\n-0.000000 0.000000 -0.000000 Cd\n0.274571 0.000000 -0.000000 O\n0.255147 0.500000 0.000000 O\n0.725429 -0.000000 -0.000000 O\n0.744853 0.500000 -0.000000 O\n0.253071 0.253071 0.500000 O\n0.253071 0.746929 0.500000 O\n0.746929 0.253071 0.500000 O\n0.746929 0.746929 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.274571 -0.000000 O\n-0.000000 0.725429 0.000000 O\n0.500000 0.255147 -0.000000 O\n0.500000 0.744853 0.000000 O\n",
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{
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"structure_string": "Ba1 Sr2 Y6 O12\n1.0\n0.000000 0.000000 -3.465994\n-10.416348 -0.000009 0.000000\n-5.208165 9.020833 0.000000\nBa Sr Y O\n1 2 6 12\ndirect\n0.750000 0.000003 0.999998 Ba\n0.750000 0.666662 0.666668 Sr\n0.250000 0.333337 0.333331 Sr\n0.250000 0.346382 0.654553 Y\n0.250000 0.999064 0.346382 Y\n0.250000 0.654554 0.999065 Y\n0.750000 0.650900 0.348467 Y\n0.750000 0.000633 0.650901 Y\n0.750000 0.348466 0.000633 Y\n0.750000 0.394978 0.477256 O\n0.750000 0.127765 0.394979 O\n0.750000 0.477256 0.127765 O\n0.250000 0.602920 0.522653 O\n0.250000 0.874427 0.602920 O\n0.250000 0.522653 0.874427 O\n0.750000 0.302396 0.808899 O\n0.750000 0.888706 0.302393 O\n0.750000 0.808902 0.888708 O\n0.250000 0.710952 0.184686 O\n0.250000 0.104360 0.710957 O\n0.250000 0.184683 0.104357 O\n",
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{
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{
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"structure_string": "Mg2 P2 N2 O10\n1.0\n0.000000 0.000000 5.106654\n5.850744 0.000000 0.000000\n0.000000 7.033998 0.000000\nMg P N O\n2 2 2 10\ndirect\n0.604060 0.000000 0.982975 Mg\n0.104060 0.500000 0.017025 Mg\n0.563195 0.500000 0.793067 P\n0.063195 0.000000 0.206933 P\n0.792235 0.000000 0.541550 N\n0.292235 0.500000 0.458450 N\n0.857240 0.500000 0.801171 O\n0.357240 0.000000 0.198829 O\n0.534906 0.500000 0.554656 O\n0.034906 0.000000 0.445344 O\n0.421190 0.709528 0.876065 O\n0.421190 0.290472 0.876065 O\n0.921190 0.790472 0.123935 O\n0.921190 0.209528 0.123935 O\n0.837984 0.000000 0.709813 O\n0.337984 0.500000 0.290187 O\n",
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{
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"structure_string": "La6 Si4 S16 Cl2\n1.0\n3.914500 7.912016 0.000000\n-3.914500 7.912016 0.000000\n0.000000 1.349638 11.009385\nLa Si S Cl\n6 4 16 2\ndirect\n0.072732 0.311377 0.814673 La\n0.688623 0.927268 0.685327 La\n0.311377 0.072732 0.314673 La\n0.617569 0.382431 0.250000 La\n0.927268 0.688623 0.185327 La\n0.382431 0.617569 0.750000 La\n0.371028 0.308411 0.030011 Si\n0.628972 0.691589 0.969989 Si\n0.691589 0.628972 0.469989 Si\n0.308411 0.371028 0.530011 Si\n0.720231 0.411008 0.948858 S\n0.441159 0.261735 0.841490 S\n0.893805 0.400037 0.357968 S\n0.400037 0.893805 0.857968 S\n0.738265 0.558841 0.658510 S\n0.279769 0.588992 0.051142 S\n0.857739 0.709477 0.915407 S\n0.261735 0.441159 0.341490 S\n0.588992 0.279769 0.551142 S\n0.290523 0.142261 0.584593 S\n0.142261 0.290523 0.084593 S\n0.411008 0.720231 0.448858 S\n0.709477 0.857739 0.415407 S\n0.599963 0.106195 0.142032 S\n0.106195 0.599963 0.642032 S\n0.558841 0.738265 0.158510 S\n0.004328 0.995672 0.750000 Cl\n0.995672 0.004328 0.250000 Cl\n",
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