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{
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"structure_string": "Sr4 Ca1 Fe2 S2 O6\n1.0\n3.891311 0.000000 0.000000\n0.000000 3.891473 0.000000\n0.000000 0.000000 16.772020\nSr Ca Fe S O\n4 1 2 2 6\ndirect\n0.000000 0.500000 0.203784 Sr\n0.500000 0.000000 0.796216 Sr\n0.000000 0.500000 0.417390 Sr\n0.500000 0.000000 0.582609 Sr\n0.500000 0.500000 0.000002 Ca\n0.500000 0.000000 0.319519 Fe\n0.000000 0.500000 0.680480 Fe\n0.500000 0.000000 0.111936 S\n0.000000 0.500000 0.888067 S\n0.000000 0.000000 0.302370 O\n0.500000 0.500000 0.302065 O\n0.500000 0.500000 0.697936 O\n0.000000 0.000000 0.697628 O\n0.500000 0.000000 0.435113 O\n0.000000 0.500000 0.564886 O\n",
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{
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"created_at": "2022-09-04T14:37:08.645962Z",
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"structure_string": "Sr4 Mg1 Fe2 S2 O6\n1.0\n3.869783 0.000000 -0.000000\n0.000000 3.869783 0.000000\n0.000000 -0.000000 16.175055\nSr Mg Fe S O\n4 1 2 2 6\ndirect\n0.500000 0.000000 0.191591 Sr\n0.000000 0.500000 0.808409 Sr\n0.500000 0.000000 0.414415 Sr\n0.000000 0.500000 0.585585 Sr\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.312120 Fe\n0.500000 0.000000 0.687881 Fe\n0.000000 0.500000 0.096422 S\n0.500000 0.000000 0.903578 S\n0.000000 0.000000 0.294762 O\n0.500000 0.500000 0.293379 O\n0.500000 0.500000 0.706621 O\n0.000000 0.000000 0.705238 O\n0.000000 0.500000 0.432434 O\n0.500000 0.000000 0.567566 O\n",
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"structure_string": "Sr4 Mg1 Co2 S2 O6\n1.0\n3.809871 0.000000 0.000000\n0.000000 3.809914 0.000000\n0.000000 0.000000 16.306835\nSr Mg Co S O\n4 1 2 2 6\ndirect\n0.000000 0.500000 0.192460 Sr\n0.500000 0.000000 0.807540 Sr\n0.000000 0.500000 0.416120 Sr\n0.500000 0.000000 0.583876 Sr\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.310154 Co\n0.000000 0.500000 0.689849 Co\n0.500000 0.000000 0.096766 S\n0.000000 0.500000 0.903237 S\n0.000000 0.000000 0.295419 O\n0.500000 0.500000 0.294404 O\n0.500000 0.500000 0.705582 O\n0.000000 0.000000 0.704591 O\n0.500000 0.000000 0.432335 O\n0.000000 0.500000 0.567667 O\n",
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{
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{
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"structure_string": "Na2 Mg1 H4 S2 O8\n1.0\n5.195710 0.030838 0.004627\n-1.688401 5.632968 -0.137524\n-2.501563 -2.316526 6.671637\nNa Mg H S O\n2 1 4 2 8\ndirect\n0.344372 0.005807 0.675771 Na\n0.655629 -0.005807 0.324230 Na\n0.500001 0.500000 0.500001 Mg\n0.270217 0.236827 0.101067 H\n0.729785 0.763173 0.898934 H\n0.143774 0.043872 0.201771 H\n0.856228 0.956129 0.798230 H\n0.077357 0.400828 0.744228 S\n0.922645 0.599172 0.255774 S\n0.320401 0.195587 0.228330 O\n0.264478 0.699349 0.358176 O\n0.735524 0.300652 0.641826 O\n0.857894 0.778851 0.139629 O\n0.142108 0.221149 0.860372 O\n0.843058 0.684464 0.434605 O\n0.156944 0.315536 0.565397 O\n0.679601 0.804414 0.771671 O\n",
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{
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"structure_string": "Zn4 Si2 H4 O10\n1.0\n-4.235699 5.402882 2.563187\n4.235699 -5.402882 2.563187\n4.235699 5.402882 -2.563187\nZn Si H O\n4 2 4 10\ndirect\n0.840535 0.206046 0.042429 Zn\n0.163616 0.798105 0.957571 Zn\n0.840535 0.798105 0.634489 Zn\n0.163616 0.206045 0.365511 Zn\n0.362775 0.508832 0.853944 Si\n0.654889 0.508832 0.146056 Si\n0.651739 0.062076 0.410336 H\n0.651739 0.241403 0.589663 H\n0.179881 0.559970 0.380088 H\n0.179881 0.799794 0.619912 H\n0.597797 0.597797 -0.000000 O\n0.430679 0.796565 0.955474 O\n0.841090 0.475205 0.044526 O\n0.430679 0.475205 0.634114 O\n0.841090 0.796565 0.365886 O\n0.028174 0.192617 0.835557 O\n0.357060 0.192617 0.164443 O\n0.030301 0.338305 0.308004 O\n0.030301 0.722297 0.691996 O\n0.529926 0.029926 0.500000 O\n",
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{
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"structure_string": "Mg4 B4 As2 Ir10\n1.0\n9.487380 -0.000000 0.000000\n-0.000000 9.487380 -0.000000\n0.000000 -0.000000 2.991542\nMg B As Ir\n4 4 2 10\ndirect\n0.825117 0.325117 0.000000 Mg\n0.174883 0.674883 0.000000 Mg\n0.325117 0.174883 0.000000 Mg\n0.674883 0.825117 0.000000 Mg\n0.625219 0.125219 0.000000 B\n0.374781 0.874781 0.000000 B\n0.125219 0.374781 0.000000 B\n0.874781 0.625219 0.000000 B\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.000000 As\n0.073378 0.215830 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.715830 0.573378 0.500000 Ir\n0.284170 0.426622 0.500000 Ir\n0.215830 0.926622 0.500000 Ir\n0.784170 0.073378 0.500000 Ir\n0.426622 0.715830 0.500000 Ir\n0.573378 0.284170 0.500000 Ir\n0.926622 0.784170 0.500000 Ir\n",
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}