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{
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"structure_string": "Zn2 B16 H16 N8\n1.0\n6.948853 -0.000000 -0.000000\n-0.000000 6.948853 -0.000000\n-0.000000 -0.000000 9.375213\nZn B H N\n2 16 16 8\ndirect\n0.250000 0.750000 0.750000 Zn\n0.750000 0.250000 0.250000 Zn\n0.250000 0.624906 0.389819 B\n0.250000 0.875094 0.389819 B\n0.624906 0.250000 0.889819 B\n0.875094 0.250000 0.889819 B\n0.750000 0.375094 0.610181 B\n0.375094 0.750000 0.110181 B\n0.124906 0.750000 0.110181 B\n0.750000 0.124906 0.610181 B\n0.250000 0.927008 0.206332 B\n0.572991 0.250000 0.706332 B\n0.927008 0.250000 0.706332 B\n0.750000 0.427008 0.793667 B\n0.750000 0.072992 0.793667 B\n0.427008 0.750000 0.293667 B\n0.072992 0.750000 0.293667 B\n0.250000 0.572991 0.206332 B\n0.492354 0.750000 0.017319 H\n0.250000 0.507646 0.482681 H\n0.250000 -0.007646 0.482681 H\n0.507646 0.250000 0.982680 H\n-0.007646 0.250000 0.982680 H\n0.750000 0.492354 0.517319 H\n0.750000 0.007646 0.517319 H\n0.007646 0.750000 0.017319 H\n0.750000 0.901362 0.805556 H\n0.250000 0.098637 0.194444 H\n0.401363 0.250000 0.694444 H\n0.098637 0.250000 0.694444 H\n0.750000 0.598637 0.805556 H\n0.598637 0.750000 0.305556 H\n0.901362 0.750000 0.305556 H\n0.250000 0.401363 0.194444 H\n0.250000 0.512919 0.874239 N\n0.487081 0.750000 0.625760 N\n0.012919 0.750000 0.625760 N\n0.750000 0.487081 0.125761 N\n0.750000 0.012919 0.125761 N\n0.512919 0.250000 0.374239 N\n0.987081 0.250000 0.374239 N\n0.250000 0.987081 0.874239 N\n",
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{
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"structure_string": "Ba2 Cu1 Br1 O2\n1.0\n4.208566 -0.013878 9.203932\n1.993377 3.706572 9.203932\n-0.023310 -0.013878 10.120466\nBa Cu Br O\n2 1 1 2\ndirect\n0.747754 0.747751 0.747752 Ba\n0.252251 0.252250 0.252250 Ba\n0.500000 0.499998 0.499998 Cu\n0.000000 0.000000 0.000000 Br\n0.438407 0.438406 0.438406 O\n0.561593 0.561592 0.561592 O\n",
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{
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"created_at": "2022-09-04T14:37:40.216001Z",
"updated_at": "2022-09-04T14:37:40.216014Z",
"structure_string": "Cd4 Bi4 Se8 Br4\n1.0\n4.173554 0.000000 0.000000\n0.000000 10.023037 0.000000\n0.000000 0.000000 13.294841\nCd Bi Se Br\n4 4 8 4\ndirect\n0.749999 0.506003 0.736708 Cd\n0.749999 0.006003 0.763292 Cd\n0.250000 0.493997 0.263292 Cd\n0.250000 0.993997 0.236708 Cd\n0.749999 0.306101 0.025963 Bi\n0.250000 0.193900 0.525963 Bi\n0.749999 0.806101 0.474037 Bi\n0.250000 0.693900 0.974036 Bi\n0.749999 0.556561 0.113354 Se\n0.250000 0.943439 0.613354 Se\n0.250000 0.443439 0.886646 Se\n0.749999 0.748978 0.830652 Se\n0.250000 0.251022 0.169348 Se\n0.749999 0.248978 0.669348 Se\n0.250000 0.751023 0.330652 Se\n0.749999 0.056561 0.386646 Se\n0.749999 0.925169 0.103042 Br\n0.250000 0.574832 0.603042 Br\n0.749999 0.425169 0.396958 Br\n0.250000 0.074832 0.896958 Br\n",
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{
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"structure_string": "K2 Li2 S2 O8\n1.0\n2.557026 -4.428899 0.000000\n2.557026 4.428899 -0.000000\n0.000000 0.000000 8.705875\nK Li S O\n2 2 2 8\ndirect\n0.000000 0.000000 0.989774 K\n0.000000 0.000000 0.489774 K\n0.333334 0.666668 0.803264 Li\n0.666668 0.333334 0.303264 Li\n0.333334 0.666668 0.192357 S\n0.666668 0.333334 0.692357 S\n0.337554 0.943317 0.247563 O\n0.943317 0.605765 0.747563 O\n0.333334 0.666668 0.021913 O\n0.605765 0.662449 0.247563 O\n0.666668 0.333334 0.521913 O\n0.056684 0.394237 0.247563 O\n0.662448 0.056684 0.747563 O\n0.394237 0.337553 0.747563 O\n",
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{
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"structure_string": "Y4 Si6 N8 O6\n1.0\n4.928519 -0.000000 0.000000\n0.000000 7.637133 0.000000\n0.000000 0.000000 7.637133\nY Si N O\n4 6 8 6\ndirect\n0.503316 0.330405 0.169595 Y\n0.496684 0.830405 0.330405 Y\n0.503316 0.669594 0.830405 Y\n0.496684 0.169595 0.669594 Y\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.945196 0.145388 0.354612 Si\n0.054805 0.354612 0.854612 Si\n0.054805 0.645387 0.145388 Si\n0.945196 0.854612 0.645387 Si\n0.791672 0.667513 0.576698 N\n0.791672 0.076698 0.167513 N\n0.208328 0.167513 0.923301 N\n0.208328 0.832487 0.076698 N\n0.791672 0.923301 0.832487 N\n0.208328 0.576698 0.332487 N\n0.208328 0.423302 0.667513 N\n0.791672 0.332487 0.423302 N\n0.719903 0.630981 0.130981 O\n0.280097 0.130981 0.369019 O\n0.719903 0.369019 0.869018 O\n0.280097 0.869018 0.630981 O\n0.184948 0.500000 0.000000 O\n0.815052 0.000000 0.500000 O\n",
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{
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"structure_string": "Si2 H20 O8 F12\n1.0\n5.804642 0.000000 -1.557941\n0.000000 9.946337 0.000000\n0.058102 0.000000 6.447332\nSi H O F\n2 20 8 12\ndirect\n-0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.610313 0.356008 0.631815 H\n0.389686 0.643992 0.368185 H\n0.610313 0.143992 0.131815 H\n0.744874 0.224495 0.736173 H\n0.255125 0.724495 0.763827 H\n0.255125 0.775505 0.263827 H\n0.744874 0.275505 0.236173 H\n0.432658 0.191860 0.628377 H\n0.567341 0.691860 0.871622 H\n0.389686 0.856009 0.868185 H\n0.432658 0.308140 0.128377 H\n0.173724 0.114862 0.649750 H\n0.826275 0.614862 0.850250 H\n0.826276 0.885139 0.350250 H\n0.173724 0.385138 0.149750 H\n0.216291 0.122302 0.410481 H\n0.783709 0.622302 0.089519 H\n0.783708 0.877699 0.589518 H\n0.216291 0.377698 0.910481 H\n0.567342 0.808140 0.371623 H\n0.597824 0.273915 0.715705 O\n0.402175 0.773915 0.784295 O\n0.402176 0.726086 0.284295 O\n0.597824 0.226085 0.215705 O\n0.706420 0.612982 0.933156 O\n0.706420 0.887018 0.433156 O\n0.293580 0.387018 0.066844 O\n0.293579 0.112982 0.566844 O\n0.969179 0.394473 0.279528 F\n0.066040 0.363987 0.668493 F\n0.933959 0.863987 0.831507 F\n0.933959 0.636013 0.331507 F\n0.066040 0.136013 0.168493 F\n0.282679 0.519838 0.509479 F\n0.717320 0.019838 0.990520 F\n0.717320 0.480162 0.490520 F\n0.282680 0.980162 0.009480 F\n0.030820 0.605527 0.720472 F\n0.969179 0.105527 0.779528 F\n0.030820 0.894473 0.220472 F\n",
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{
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"structure_string": "Ba2 Mg1 Re1 O6\n1.0\n4.989968 0.000000 2.880959\n1.663323 4.704587 2.880959\n0.000000 0.000000 5.761919\nBa Mg Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Re\n0.260281 0.739719 0.739719 O\n0.260281 0.739719 0.260282 O\n0.739719 0.260282 0.739719 O\n0.260281 0.260282 0.739719 O\n0.739719 0.260282 0.260281 O\n0.739718 0.739719 0.260282 O\n",
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{
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"structure_string": "Li1 Fe1 Si2 O6\n1.0\n0.000000 5.350458 0.000254\n5.590930 0.000000 0.000000\n0.000000 -2.674869 -4.674097\nLi Fe Si O\n1 1 2 6\ndirect\n0.000000 0.666679 0.000000 Li\n0.500000 0.666662 0.000000 Fe\n0.000000 0.331898 0.500000 Si\n0.500001 0.001442 0.500001 Si\n0.633594 0.834516 0.787363 O\n0.153763 0.498823 0.787363 O\n0.241941 0.166671 0.483880 O\n0.758060 0.166671 0.516121 O\n0.846238 0.498823 0.212638 O\n0.366407 0.834516 0.212638 O\n",
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{
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{
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"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.386506 -0.000001 0.000003\n-1.693253 2.932802 -0.000012\n0.000036 -0.000123 36.128433\nTe Mo W Se\n2 2 2 6\ndirect\n0.333326 0.666651 0.334992 Te\n0.333330 0.666656 0.230188 Te\n0.333332 0.666641 0.091134 Mo\n0.333340 0.666690 0.474080 Mo\n0.666662 0.333321 0.282589 W\n0.666671 0.333348 0.655111 W\n0.333339 0.666685 0.701047 Se\n0.666659 0.333292 0.045420 Se\n0.666677 0.333361 0.428282 Se\n0.666668 0.333316 0.136941 Se\n0.666679 0.333365 0.519844 Se\n0.333337 0.666676 0.609121 Se\n",
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{
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"created_at": "2022-09-04T14:38:03.726967Z",
"updated_at": "2022-09-04T14:38:03.726987Z",
"structure_string": "Li2 Cr3 Cu1 O8\n1.0\n5.823820 0.028895 0.020431\n2.936932 5.029129 0.020432\n2.936932 1.695639 4.734698\nLi Cr Cu O\n2 3 1 8\ndirect\n0.121262 0.121262 0.121262 Li\n0.499537 0.499537 0.499537 Li\n0.007118 0.497530 0.497530 Cr\n0.497530 0.007118 0.497530 Cr\n0.497530 0.497530 0.007119 Cr\n0.878199 0.878199 0.878200 Cu\n0.258799 0.258799 0.258799 O\n0.250073 0.250073 0.711585 O\n0.250073 0.711585 0.250073 O\n0.711585 0.250073 0.250073 O\n0.291512 0.748541 0.748541 O\n0.748541 0.291512 0.748541 O\n0.748541 0.748541 0.291512 O\n0.739696 0.739696 0.739696 O\n",
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}