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{
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{
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"structure_string": "Ti8 O16\n1.0\n3.023061 -0.000962 -0.004386\n0.003765 9.744306 0.000079\n0.013361 0.000224 9.373368\nTi O\n8 16\ndirect\n0.250133 -0.025219 0.152136 Ti\n0.750101 0.201217 0.401296 Ti\n0.250131 0.298111 0.901292 Ti\n0.750122 0.524548 0.652136 Ti\n0.250137 0.474782 0.345488 Ti\n0.750109 0.701220 0.096325 Ti\n0.250145 0.798112 0.596326 Ti\n0.750126 0.024551 0.845481 Ti\n0.250150 0.801381 0.220932 O\n0.750116 0.859648 0.503906 O\n0.250136 0.639693 0.003900 O\n0.750113 0.697947 0.720929 O\n0.750120 0.559425 0.251721 O\n0.250122 0.603953 0.521605 O\n0.750135 0.395378 0.476018 O\n0.250134 0.139679 0.493715 O\n0.250150 0.301385 0.276695 O\n0.750111 0.359637 -0.006279 O\n0.250137 0.939908 0.751720 O\n0.750115 0.197953 0.776685 O\n0.750120 0.059425 0.245898 O\n0.250119 0.103949 0.976007 O\n0.250136 0.439908 0.745901 O\n0.750137 0.895383 0.021612 O\n",
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{
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{
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"updated_at": "2022-09-04T14:36:31.584921Z",
"structure_string": "Nb10 Ge6\n1.0\n3.854498 -6.676188 -0.000000\n3.854498 6.676188 0.000000\n-0.000000 0.000000 5.365466\nNb Ge\n10 6\ndirect\n0.000000 0.753368 0.750001 Nb\n0.000000 0.246632 0.250000 Nb\n0.753368 0.753368 0.250000 Nb\n0.753368 0.000000 0.750001 Nb\n0.246632 0.246632 0.750001 Nb\n0.246632 0.000000 0.250000 Nb\n0.333333 0.666667 0.000000 Nb\n0.666667 0.333333 0.500000 Nb\n0.666667 0.333333 0.000000 Nb\n0.333333 0.666667 0.500000 Nb\n0.391466 0.000000 0.750001 Ge\n0.391466 0.391466 0.250000 Ge\n0.000000 0.608535 0.250000 Ge\n0.000000 0.391466 0.750001 Ge\n0.608535 0.608535 0.750001 Ge\n0.608535 0.000000 0.250000 Ge\n",
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{
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"created_at": "2022-09-04T14:36:06.952519Z",
"updated_at": "2022-09-04T14:36:06.952545Z",
"structure_string": "Li6 Mn2 P4 O16\n1.0\n0.000000 4.746633 -0.011378\n5.789775 0.000000 0.000000\n0.000000 -0.343520 -10.047641\nLi Mn P O\n6 2 4 16\ndirect\n0.096461 0.750001 0.068814 Li\n0.506256 0.750001 0.228193 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.493744 0.250000 0.771807 Li\n0.903538 0.250000 0.931186 Li\n0.971053 0.250000 0.274069 Mn\n0.028946 0.750001 0.725931 Mn\n0.607042 0.750001 0.903832 P\n0.068300 0.250000 0.587643 P\n0.931700 0.750001 0.412358 P\n0.392957 0.250000 0.096168 P\n0.742760 0.961292 0.830596 O\n0.742760 0.538710 0.830596 O\n0.211652 0.461822 0.659020 O\n0.211652 0.038179 0.659020 O\n0.749883 0.250000 0.585655 O\n0.803612 0.750001 0.555873 O\n0.196388 0.250000 0.444127 O\n0.720615 0.250000 0.113892 O\n0.788347 0.961822 0.340980 O\n0.788347 0.538179 0.340980 O\n0.257240 0.461291 0.169404 O\n0.257240 0.038709 0.169404 O\n0.279385 0.750001 0.886108 O\n0.689891 0.750001 0.051059 O\n0.250116 0.750001 0.414345 O\n0.310108 0.250000 0.948941 O\n",
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{
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"structure_string": "Li8 Cu2 F14\n1.0\n7.470790 -0.031089 -0.216091\n-2.309013 7.105078 0.216091\n-0.947788 0.691586 5.251564\nLi Cu F\n8 2 14\ndirect\n0.045105 0.746517 0.357467 Li\n0.253484 0.954897 0.857467 Li\n0.314501 0.579114 0.793113 Li\n0.420887 0.685499 0.293114 Li\n0.579113 0.314502 0.706886 Li\n0.685499 0.420887 0.206886 Li\n0.746517 0.045104 0.142532 Li\n0.954896 0.253484 0.642532 Li\n0.231712 0.231712 0.250000 Cu\n0.768288 0.768289 0.749999 Cu\n0.788198 0.392780 0.545266 F\n0.607221 0.211802 0.045266 F\n0.817721 0.017211 0.833294 F\n0.667422 0.842742 0.409945 F\n0.553339 0.553340 0.749999 F\n0.446661 0.446661 0.250000 F\n0.157258 0.332579 0.909945 F\n0.182279 -0.017210 0.166705 F\n0.392780 0.788199 0.954733 F\n0.211802 0.607221 0.454733 F\n0.842742 0.667422 0.090055 F\n-0.017210 0.182279 0.333294 F\n0.332578 0.157259 0.590054 F\n0.017211 0.817722 0.666705 F\n",
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{
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"created_at": "2022-09-04T14:37:56.162455Z",
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"structure_string": "Sn2 C4 S4 N4\n1.0\n4.759771 0.008281 -0.572490\n-0.438603 5.615151 -1.034724\n0.044410 0.034787 10.319198\nSn C S N\n2 4 4 4\ndirect\n0.817629 0.803915 0.255996 Sn\n0.182371 0.196086 0.744005 Sn\n0.795217 0.251334 0.002674 C\n0.204783 0.748666 0.997326 C\n0.809282 0.601760 0.626737 C\n0.190718 0.398240 0.373264 C\n0.615999 0.282494 0.127334 S\n0.736256 0.859393 0.593283 S\n0.263745 0.140607 0.406718 S\n0.384002 0.717506 0.872667 S\n0.147691 0.588779 0.349299 N\n0.916800 0.225155 0.908288 N\n0.083200 0.774845 0.091712 N\n0.852310 0.411221 0.650702 N\n",
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}