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"structure_string": "Cu2 Sn1 Hg1 Te4\n1.0\n6.314310 -0.000000 0.000000\n-0.000000 6.314310 0.000000\n-3.157156 -3.157156 6.226754\nCu Sn Hg Te\n2 1 1 4\ndirect\n0.749999 0.249999 0.500000 Cu\n0.249999 0.749999 0.500000 Cu\n0.500000 0.500000 -0.000000 Sn\n0.000000 0.000000 0.000000 Hg\n0.891083 0.891083 0.286079 Te\n0.394997 0.394997 0.286079 Te\n0.108916 0.605002 0.713920 Te\n0.605002 0.108916 0.713920 Te\n",
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{
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"structure_string": "Cu2 Sn1 Hg1 Se4\n1.0\n5.390379 0.000000 -2.450882\n-1.114360 5.273934 -2.450882\n-0.002946 -0.003632 7.146662\nCu Sn Hg Se\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Hg\n0.399225 0.399225 0.285162 Se\n0.885937 0.885936 0.285162 Se\n0.114063 0.600775 0.714838 Se\n0.600774 0.114064 0.714838 Se\n",
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{
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"created_at": "2022-09-04T14:38:43.602379Z",
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"structure_string": "Cu2 Si4 N6\n1.0\n5.341455 -0.001222 0.000000\n-2.657276 4.619265 0.000000\n-0.000000 -0.000000 4.903236\nCu Si N\n2 4 6\ndirect\n-0.000001 0.632361 0.508810 Cu\n-0.000000 0.367638 0.008810 Cu\n0.336015 0.327243 0.490238 Si\n0.663985 0.991228 0.490238 Si\n0.663985 0.672756 0.990238 Si\n0.336015 0.008772 0.990238 Si\n0.397921 0.339671 0.846237 N\n0.602078 0.941749 0.846237 N\n0.602078 0.660328 0.346236 N\n0.397922 0.058250 0.346236 N\n-0.000001 0.737660 0.906243 N\n-0.000000 0.262339 0.406243 N\n",
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"structure_string": "Cu2 Si2 O6\n1.0\n2.868796 0.000000 0.000000\n0.000000 4.718942 0.000000\n0.000000 0.000000 8.671054\nCu Si O\n2 2 6\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500001 0.907971 0.750000 Si\n0.500001 0.092029 0.250000 Si\n0.500001 0.715274 0.593158 O\n0.500001 0.284726 0.406842 O\n0.500001 0.715274 0.906842 O\n0.500001 0.284726 0.093158 O\n0.000000 0.907419 0.250000 O\n0.000000 0.092581 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:37:52.832490Z",
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"structure_string": "Cu2 Si2 H16 O8 F12\n1.0\n6.566126 0.069512 0.000000\n-2.169442 5.883782 0.000000\n0.000000 0.000000 9.311457\nCu Si H O F\n2 2 16 8 12\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Si\n0.500000 -0.000000 0.500000 Si\n0.245001 0.295121 0.599394 H\n0.245001 0.795121 0.900607 H\n0.755000 0.704878 0.400606 H\n0.319739 0.558546 0.654307 H\n0.680261 0.941453 0.154306 H\n0.680261 0.441453 0.345694 H\n0.319739 0.058546 0.845694 H\n0.755000 0.204878 0.099394 H\n0.964077 0.213252 0.288645 H\n0.964077 0.713252 0.211355 H\n0.035924 0.786747 0.711356 H\n0.201664 0.894149 0.213662 H\n0.798336 0.605850 0.713662 H\n0.798336 0.105850 0.786339 H\n0.201664 0.394149 0.286339 H\n0.035923 0.286747 0.788645 H\n0.192536 0.418670 0.636097 O\n0.807464 0.081329 0.136097 O\n0.192536 0.918670 0.863903 O\n0.807464 0.581329 0.363903 O\n0.919821 0.684117 0.649726 O\n0.919821 0.184117 0.850274 O\n0.080180 0.315882 0.350274 O\n0.080180 0.815882 0.149726 O\n0.686415 0.213889 0.593165 F\n0.707092 0.930111 0.424075 F\n0.292908 0.569888 0.924075 F\n0.292908 0.069888 0.575925 F\n0.707092 0.430111 0.075925 F\n0.509912 0.181114 0.358706 F\n0.490088 0.318885 0.858706 F\n0.490088 0.818885 0.641295 F\n0.509912 0.681114 0.141294 F\n0.313586 0.786110 0.406835 F\n0.686415 0.713889 0.906835 F\n0.313586 0.286110 0.093165 F\n",
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{
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"created_at": "2022-09-04T14:38:27.909679Z",
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"structure_string": "Cu2 Si1 Te3\n1.0\n5.422830 -0.013927 -4.860847\n-0.550008 4.044984 -6.030813\n-0.009985 0.013927 7.282501\nCu Si Te\n2 1 3\ndirect\n0.157165 0.166668 0.990497 Cu\n0.823829 0.833331 0.990496 Cu\n0.516438 0.499999 0.016437 Si\n0.922039 0.669410 0.252627 Te\n0.583219 0.330589 0.252628 Te\n0.247309 0.000000 0.247309 Te\n",
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{
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"structure_string": "Cu2 Si1 Ni1 S4\n1.0\n-4.771866 0.000000 0.138940\n0.174342 0.000000 -4.772338\n0.000000 -6.214343 0.000000\nCu Si Ni S\n2 1 1 4\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Si\n0.500001 0.500000 0.000000 Ni\n0.253465 0.253457 0.756601 S\n0.253465 0.253457 0.243398 S\n0.746536 0.746543 0.243398 S\n0.746536 0.746543 0.756601 S\n",
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"structure_string": "Cu2 Se4 O10\n1.0\n5.044460 0.000000 0.000000\n-2.522230 5.691921 -2.270197\n0.000000 0.001156 7.820023\nCu Se O\n2 4 10\ndirect\n0.500000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.207081 0.286844 0.331117 Se\n0.920237 0.713156 0.168882 Se\n0.792919 0.713157 0.668882 Se\n0.079763 0.286844 0.831117 Se\n0.399366 0.255341 0.493703 O\n0.144025 0.744659 0.006297 O\n0.600634 0.744660 0.506297 O\n0.855975 0.255341 0.993702 O\n0.397458 0.256004 0.151974 O\n0.141454 0.743996 0.348025 O\n0.115022 0.000001 0.750000 O\n0.884979 0.000000 0.250000 O\n0.858546 0.256004 0.651974 O\n0.602542 0.743996 0.848025 O\n",
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{
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"structure_string": "Cu2 Se4\n1.0\n3.799628 0.000000 0.000000\n0.000000 5.068688 0.000000\n0.000000 0.000000 6.252575\nCu Se\n2 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.186526 0.385001 Se\n0.000000 0.813475 0.615000 Se\n0.500000 0.686526 0.114999 Se\n0.500000 0.313475 0.885001 Se\n",
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{
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