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{
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{
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"structure_string": "Mg2 Ti4 O10\n1.0\n3.725505 -0.000000 -0.000000\n-1.862752 5.032454 0.000000\n0.000000 -0.000000 11.389976\nMg Ti O\n2 4 10\ndirect\n0.894902 0.789799 0.750000 Mg\n0.105100 0.210201 0.250000 Mg\n0.201509 0.403016 0.597976 Ti\n0.798493 0.596984 0.402024 Ti\n0.798493 0.596984 0.097976 Ti\n0.201509 0.403016 0.902025 Ti\n0.701286 0.402570 0.250000 O\n0.298716 0.597430 0.750000 O\n0.239303 0.478603 0.077597 O\n0.760701 0.521397 0.922404 O\n0.760701 0.521397 0.577597 O\n0.239303 0.478603 0.422403 O\n0.036593 0.073185 0.628300 O\n0.963408 0.926813 0.371700 O\n0.036593 0.073185 0.871700 O\n0.963408 0.926813 0.128301 O\n",
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{
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"created_at": "2022-09-04T14:37:18.425825Z",
"updated_at": "2022-09-04T14:37:18.425851Z",
"structure_string": "Ca2 Ti4 O10\n1.0\n3.632584 0.000000 0.000000\n0.000000 4.897615 0.000000\n0.000000 0.000000 11.653018\nCa Ti O\n2 4 10\ndirect\n0.000000 0.144200 0.000000 Ca\n0.500000 0.855801 0.500000 Ca\n0.500000 0.611495 0.847313 Ti\n0.000000 0.388506 0.652687 Ti\n0.000000 0.388506 0.347313 Ti\n0.500000 0.611495 0.152687 Ti\n0.000000 0.531437 0.500000 O\n0.500000 0.468564 0.000000 O\n0.000000 0.470922 0.826191 O\n0.500000 0.529079 0.673809 O\n0.000000 0.470922 0.173809 O\n0.500000 0.529079 0.326191 O\n0.500000 0.957932 0.123927 O\n0.000000 0.042069 0.376073 O\n0.000000 0.042069 0.623927 O\n0.500000 0.957932 0.876073 O\n",
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{
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"structure_string": "Tm4 Cu4 S8\n1.0\n3.915891 -0.000000 0.000000\n-0.000000 6.235993 0.000000\n0.000000 0.000000 13.212039\nTm Cu S\n4 4 8\ndirect\n0.250000 0.501510 0.133797 Tm\n0.750000 0.498489 0.866203 Tm\n0.750000 0.001511 0.366203 Tm\n0.250000 0.998489 0.633797 Tm\n0.250000 0.118480 0.951588 Cu\n0.750000 0.618480 0.548412 Cu\n0.750000 0.881519 0.048412 Cu\n0.250000 0.381520 0.451588 Cu\n0.250000 0.265690 0.791814 S\n0.750000 0.734310 0.208186 S\n0.750000 0.765690 0.708186 S\n0.250000 0.234310 0.291814 S\n0.250000 0.740609 0.959356 S\n0.250000 0.759390 0.459356 S\n0.750000 0.240609 0.540644 S\n0.750000 0.259391 0.040644 S\n",
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{
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"structure_string": "K2 Fe1 Ni1 C6 N6\n1.0\n6.223449 -0.000000 3.593110\n2.074483 5.867524 3.593110\n-0.000000 -0.000000 7.186220\nK Fe Ni C N\n2 1 1 6 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Ni\n0.184568 0.815431 0.184569 C\n0.815431 0.184569 0.815431 C\n0.184568 0.815431 0.815432 C\n0.815431 0.815431 0.184569 C\n0.815431 0.184569 0.184569 C\n0.184569 0.184569 0.815431 C\n0.699804 0.699803 0.300196 N\n0.300196 0.699803 0.699804 N\n0.699804 0.300196 0.699804 N\n0.300196 0.699803 0.300196 N\n0.699804 0.300196 0.300196 N\n0.300196 0.300196 0.699804 N\n",
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{
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"structure_string": "Ti6 N4 O6\n1.0\n-0.000000 3.766254 0.000000\n-4.959501 1.883127 0.000000\n0.000000 -0.000000 10.026242\nTi N O\n6 4 6\ndirect\n0.133466 0.733068 0.941409 Ti\n0.134918 0.730165 0.550857 Ti\n0.195371 0.609260 0.245988 Ti\n0.804629 0.390740 0.745988 Ti\n0.865082 0.269835 0.050857 Ti\n0.866534 0.266931 0.441409 Ti\n0.046724 0.906554 0.382246 N\n0.696652 0.606693 0.576407 N\n0.303348 0.393307 0.076407 N\n0.953276 0.093445 0.882246 N\n0.045163 0.909676 0.119684 O\n0.685320 0.629360 0.922727 O\n0.754443 0.491114 0.260681 O\n0.245557 0.508886 0.760681 O\n0.314680 0.370640 0.422727 O\n0.954836 0.090324 0.619684 O\n",
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{
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"structure_string": "H8 N2 Cl2 O4\n1.0\n6.346930 0.000000 0.000000\n0.000000 6.346930 0.000000\n0.000000 0.000000 3.699167\nH N Cl O\n8 2 2 4\ndirect\n0.370432 0.459678 0.336984 H\n0.129568 0.959678 0.663016 H\n0.629568 0.540322 0.336984 H\n0.870432 0.040322 0.663016 H\n0.540322 0.370432 0.663016 H\n0.959678 0.870432 0.336984 H\n0.459678 0.629568 0.663016 H\n0.040322 0.129568 0.336984 H\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.862348 Cl\n0.500000 0.000000 0.137652 Cl\n0.647028 0.147028 0.898206 O\n0.852972 0.647028 0.101795 O\n0.352972 0.852972 0.898206 O\n0.147028 0.352972 0.101795 O\n",
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"structure_string": "Zr10 Sb6\n1.0\n4.258400 -7.375766 -0.000000\n4.258400 7.375766 0.000000\n0.000000 0.000000 5.797385\nZr Sb\n10 6\ndirect\n0.254301 -0.000000 0.250000 Zr\n0.254301 0.254301 0.749999 Zr\n-0.000000 0.745699 0.749999 Zr\n-0.000000 0.254301 0.250000 Zr\n0.745699 0.745699 0.250000 Zr\n0.745699 -0.000000 0.749999 Zr\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.500000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.614140 -0.000000 0.250000 Sb\n0.614140 0.614140 0.749999 Sb\n-0.000000 0.385861 0.749999 Sb\n-0.000000 0.614140 0.250000 Sb\n0.385860 0.385860 0.250000 Sb\n0.385861 -0.000000 0.749999 Sb\n",
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{
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"structure_string": "Ti2 Fe4 O10\n1.0\n3.737071 0.000000 0.000000\n-1.868535 4.928270 -0.000000\n0.000000 0.000000 10.060593\nTi Fe O\n2 4 10\ndirect\n0.181625 0.363249 0.750000 Ti\n0.818374 0.636751 0.250000 Ti\n0.138845 0.277689 0.438067 Fe\n0.861154 0.722311 0.561934 Fe\n0.861154 0.722311 0.938066 Fe\n0.138845 0.277689 0.061934 Fe\n0.310166 0.620333 0.578378 O\n0.689832 0.379667 0.421623 O\n0.689832 0.379667 0.078378 O\n0.310166 0.620333 0.921621 O\n0.047388 0.094776 0.619327 O\n0.952610 0.905224 0.380671 O\n0.746633 0.493268 0.750000 O\n0.253366 0.506732 0.250000 O\n0.952610 0.905224 0.119329 O\n0.047388 0.094776 0.880672 O\n",
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{
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"structure_string": "Ho4 Ag4 Se8\n1.0\n4.222858 0.000000 0.000000\n0.000000 6.769752 0.000000\n0.000000 0.000000 13.736956\nHo Ag Se\n4 4 8\ndirect\n0.714919 0.293415 0.372616 Ho\n0.214918 0.206585 0.627384 Ho\n0.285082 0.793415 0.127384 Ho\n0.785082 0.706585 0.872616 Ho\n0.007572 0.708069 0.628018 Ag\n0.992429 0.208069 0.871982 Ag\n0.507572 0.791931 0.371982 Ag\n0.492428 0.291931 0.128018 Ag\n0.223156 0.491235 0.473588 Se\n0.723156 0.008765 0.526413 Se\n0.776844 0.991235 0.026412 Se\n0.276844 0.508765 0.973588 Se\n0.215606 0.087100 0.274217 Se\n0.284394 0.912899 0.774217 Se\n0.784394 0.587100 0.225783 Se\n0.715606 0.412899 0.725783 Se\n",
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}
]
}