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{
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{
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{
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"structure_string": "Sn1 H6 C4 O6\n1.0\n4.875641 -0.138950 0.468789\n0.761131 5.066481 0.859974\n-0.097953 0.150295 6.598123\nSn H C O\n1 6 4 6\ndirect\n0.012998 0.821169 0.692724 Sn\n0.344401 0.176693 0.069534 H\n0.230277 0.485503 0.142181 H\n0.681567 0.465628 0.315973 H\n0.795731 0.156842 0.243296 H\n-0.023436 0.157789 0.917400 H\n0.049449 0.484558 0.468045 H\n0.416354 0.355495 0.103959 C\n0.609639 0.286828 0.281522 C\n0.543346 0.493726 0.905567 C\n0.482633 0.148564 0.479893 C\n0.042345 0.968256 0.944370 O\n0.983654 0.674086 0.441073 O\n0.627430 0.062526 0.636217 O\n0.222656 0.128563 0.490563 O\n0.803320 0.513740 0.894870 O\n0.398516 0.579710 0.749251 O\n",
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{
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"structure_string": "Ti4 Cd1 Cu3 O12\n1.0\n6.080239 0.000000 -2.149688\n-3.040120 5.265640 -2.149688\n-0.000000 -0.000000 6.449066\nTi Cd Cu O\n4 1 3 12\ndirect\n0.500000 0.500000 0.500000 Ti\n-0.000000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 -0.000000 -0.000000 Ti\n0.000000 0.000000 0.000000 Cd\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.872957 0.177877 0.695080 O\n0.177877 0.304920 0.482798 O\n0.304920 0.482798 0.177877 O\n0.695080 0.517202 0.822123 O\n0.822123 0.304920 0.127043 O\n0.177877 0.695080 0.872957 O\n0.822123 0.695080 0.517202 O\n0.304920 0.127043 0.822123 O\n0.127043 0.822123 0.304920 O\n0.482798 0.177877 0.304920 O\n0.695080 0.872957 0.177877 O\n0.517202 0.822123 0.695080 O\n",
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"structure_string": "Li5 Ti2 Co3 O10\n1.0\n5.066612 -0.041456 -0.008574\n0.791566 4.971296 -0.022060\n2.441285 2.015106 6.868774\nLi Ti Co O\n5 2 3 10\ndirect\n0.226877 0.501377 0.591883 Li\n0.423982 0.488657 0.201527 Li\n0.501318 0.005006 0.495578 Li\n0.782663 0.510977 0.403468 Li\n0.581468 0.509051 0.796036 Li\n0.112735 0.996432 0.296065 Ti\n0.882002 0.013451 0.700272 Ti\n0.309527 0.998789 0.887981 Co\n0.696006 0.002710 0.100802 Co\n0.000574 0.499997 0.999426 Co\n0.861371 0.778848 0.542291 O\n0.024035 0.760484 0.145866 O\n0.140262 0.226893 0.455421 O\n0.355712 0.241429 0.056763 O\n0.222330 0.744240 0.761746 O\n0.441008 0.769696 0.333543 O\n0.570250 0.247477 0.647845 O\n0.773290 0.243917 0.231832 O\n0.659536 0.760979 0.951517 O\n0.943253 0.240778 0.865262 O\n",
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{
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"created_at": "2022-09-04T14:35:47.341901Z",
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"structure_string": "Li6 Fe1 O5 F1\n1.0\n5.452032 0.120005 0.049819\n2.638528 4.872090 0.006254\n2.520553 1.636130 4.636001\nLi Fe O F\n6 1 5 1\ndirect\n0.692207 0.465525 0.055338 Li\n0.511787 0.086030 0.748709 Li\n0.914002 0.306352 0.508378 Li\n0.077555 0.706013 0.472231 Li\n0.518247 0.914641 0.267575 Li\n0.256520 0.487509 0.925841 Li\n0.036104 0.987569 0.961646 Fe\n0.359425 0.808626 0.089285 O\n0.923783 0.667347 0.211840 O\n0.209506 0.888687 0.647624 O\n0.101488 0.341098 0.789952 O\n0.656160 0.211697 0.918607 O\n0.778215 0.129264 0.385406 F\n",
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{
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"structure_string": "Mo3 W1 Se6 S2\n1.0\n3.292134 0.000000 0.000000\n-1.646067 2.851079 -0.000004\n0.000000 -0.000177 34.978246\nMo W Se S\n3 1 6 2\ndirect\n0.333318 0.666639 0.096668 Mo\n0.666655 0.333313 0.279109 Mo\n0.666691 0.333385 0.658427 Mo\n0.333331 0.666664 0.468713 W\n0.333322 0.666647 0.327301 Se\n0.333358 0.666720 0.706569 Se\n0.666655 0.333311 0.420234 Se\n0.666675 0.333352 0.517191 Se\n0.333320 0.666642 0.230923 Se\n0.333355 0.666713 0.610223 Se\n0.666642 0.333285 0.052811 S\n0.666664 0.333328 0.140581 S\n",
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{
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"structure_string": "Li2 In2 Si4 O12\n1.0\n5.254523 0.001684 1.400176\n1.659342 6.512644 0.515847\n0.002765 -0.022189 6.740442\nLi In Si O\n2 2 4 12\ndirect\n0.749999 0.238646 0.761354 Li\n0.250000 0.761353 0.238647 Li\n0.749999 0.891077 0.108923 In\n0.249999 0.108922 0.891078 In\n0.781690 0.781368 0.611838 Si\n0.218309 0.218630 0.388164 Si\n0.281690 0.611836 0.781370 Si\n0.718309 0.388163 0.218631 Si\n0.042592 0.623128 0.667942 O\n0.542592 0.667941 0.623129 O\n0.164609 0.793728 0.959565 O\n0.124773 0.131467 0.617532 O\n0.835389 0.206271 0.040436 O\n0.957407 0.376871 0.332059 O\n0.335389 0.040435 0.206272 O\n0.875225 0.868531 0.382469 O\n0.624773 0.617531 0.131468 O\n0.375225 0.382468 0.868533 O\n0.457407 0.332058 0.376872 O\n0.664609 0.959564 0.793729 O\n",
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"structure_string": "Li6 Cr2 Si2 O10\n1.0\n5.029105 0.013863 0.005660\n1.620660 5.457082 -0.003010\n1.497587 1.083066 5.913097\nLi Cr Si O\n6 2 2 10\ndirect\n0.508147 0.247001 0.996175 Li\n0.306001 0.446060 0.398208 Li\n0.314869 0.947784 0.394776 Li\n0.685130 0.052216 0.605225 Li\n0.693999 0.553940 0.601793 Li\n0.491852 0.752998 0.003826 Li\n0.899742 0.345522 0.214728 Cr\n0.100258 0.654477 0.785273 Cr\n0.102666 0.151497 0.784512 Si\n0.897334 0.848502 0.215488 Si\n0.355266 0.333747 0.717694 O\n0.642077 0.122977 0.284768 O\n0.644733 0.666253 0.282307 O\n0.159723 0.045518 0.093973 O\n0.002092 0.756151 0.477293 O\n0.161746 0.576234 0.105682 O\n0.838253 0.423766 0.894319 O\n0.997907 0.243849 0.522708 O\n0.840276 0.954481 0.906027 O\n0.357922 0.877022 0.715233 O\n",
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}