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{
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{
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"structure_string": "Li4 H8 N4\n1.0\n4.519140 0.000000 -1.991410\n-0.877537 4.433120 -1.991410\n0.038559 0.046940 6.210887\nLi H N\n4 8 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.007721 0.507722 0.015443 Li\n0.492278 0.992278 0.984557 Li\n0.000000 0.000000 0.000000 Li\n0.704331 0.792634 0.249859 H\n0.542774 0.295668 0.750142 H\n0.207366 0.454473 0.750142 H\n0.545527 0.457226 0.249859 H\n0.963166 0.084099 0.384169 H\n0.421004 0.300070 0.384169 H\n0.915901 0.578996 0.615831 H\n0.699930 0.036834 0.615832 H\n0.348698 0.361342 0.232782 N\n0.128559 0.651302 0.767219 N\n0.638658 0.115915 0.767219 N\n0.884084 0.871441 0.232782 N\n",
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{
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"created_at": "2022-09-04T14:38:12.076132Z",
"updated_at": "2022-09-04T14:38:12.076159Z",
"structure_string": "Li6 V2 O8\n1.0\n4.955935 0.000000 0.000000\n0.000000 5.435342 0.000000\n0.000000 0.000000 6.307674\nLi V O\n6 2 8\ndirect\n0.009336 0.667396 0.247741 Li\n0.509336 0.332604 0.252258 Li\n0.509336 0.332604 0.747741 Li\n0.009336 0.667396 0.752258 Li\n0.009746 0.168146 0.500000 Li\n0.509745 0.831854 0.000000 Li\n0.001423 0.169532 0.000000 V\n0.501423 0.830467 0.500000 V\n0.111809 0.320802 0.226835 O\n0.651980 0.172095 0.000000 O\n0.111809 0.320802 0.773164 O\n0.611809 0.679197 0.273165 O\n0.611809 0.679197 0.726835 O\n0.610357 0.134034 0.500000 O\n0.110358 0.865965 0.000000 O\n0.151981 0.827905 0.500000 O\n",
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{
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"structure_string": "Ti6 O10\n1.0\n3.861050 0.000000 0.000000\n-1.930525 4.891258 -0.113411\n0.000000 0.032681 9.333716\nTi O\n6 10\ndirect\n0.943485 0.886968 0.640003 Ti\n0.056517 0.113033 0.359997 Ti\n0.868554 0.737105 0.955241 Ti\n0.131448 0.262895 0.044759 Ti\n0.220782 0.441562 0.737056 Ti\n0.779219 0.558438 0.262945 Ti\n0.587478 0.174956 0.340543 O\n0.412523 0.825044 0.659458 O\n0.673385 0.346770 0.054660 O\n0.326616 0.653230 0.945340 O\n0.871344 0.742684 0.442586 O\n0.128658 0.257316 0.557415 O\n0.242476 0.484952 0.243561 O\n0.757526 0.515049 0.756439 O\n0.042575 0.085150 0.847086 O\n0.957427 0.914850 0.152915 O\n",
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{
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"updated_at": "2022-09-04T14:38:04.905061Z",
"structure_string": "Li2 Fe2 C3 O9\n1.0\n4.922533 0.000000 0.000000\n0.000000 4.871080 3.445980\n0.000000 -4.871080 3.445980\nLi Fe C O\n2 2 3 9\ndirect\n0.000000 0.910176 0.910176 Li\n0.500000 0.643756 0.643756 Li\n0.500000 0.258062 0.814019 Fe\n0.500000 0.814019 0.258062 Fe\n0.000000 0.444718 0.855410 C\n0.000000 0.855410 0.444718 C\n0.500000 0.242871 0.242871 C\n0.000000 0.242218 0.886416 O\n0.000000 0.886416 0.242218 O\n0.228375 0.546493 0.839112 O\n0.228375 0.839112 0.546493 O\n0.500000 0.212122 0.444925 O\n0.500000 0.050587 0.050587 O\n0.500000 0.444925 0.212122 O\n0.771625 0.546493 0.839112 O\n0.771625 0.839112 0.546493 O\n",
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{
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"created_at": "2022-09-04T14:38:16.214328Z",
"updated_at": "2022-09-04T14:38:16.214346Z",
"structure_string": "Zn4 C4 N8\n1.0\n5.034718 0.000000 2.196733\n2.517359 6.217700 1.098366\n0.030848 0.000000 6.797231\nZn C N\n4 4 8\ndirect\n0.170667 0.704334 0.204334 Zn\n0.625000 0.204334 0.295666 Zn\n0.125001 0.795666 0.704334 Zn\n0.079334 0.295666 0.795666 Zn\n0.691617 0.183383 0.683383 C\n0.625001 0.683384 0.816616 C\n0.558384 0.816617 0.316616 C\n0.125000 0.316617 0.183383 C\n0.271048 0.379012 0.236482 N\n0.349941 0.763518 0.379012 N\n0.886543 0.620988 0.763517 N\n0.492470 0.236482 0.620988 N\n0.978953 0.263518 0.120987 N\n0.900061 0.120988 0.736482 N\n0.757531 0.879012 0.263518 N\n0.363459 0.736482 0.879012 N\n",
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{
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"created_at": "2022-09-04T14:38:11.515511Z",
"updated_at": "2022-09-04T14:38:11.515543Z",
"structure_string": "Rb1 Li7 Ni2 O6\n1.0\n3.646610 -0.002704 0.001012\n-1.819665 4.978325 -0.022224\n-0.003087 -0.467543 9.859651\nRb Li Ni O\n1 7 2 6\ndirect\n0.010796 0.022222 0.007649 Rb\n0.180018 0.360663 0.259828 Li\n0.744831 0.490239 0.096001 Li\n0.223400 0.447408 0.580649 Li\n0.742768 0.486141 0.410717 Li\n0.277015 0.554565 0.895751 Li\n0.825227 0.650953 0.724716 Li\n0.468801 0.937791 0.534675 Li\n0.576277 0.153054 0.755331 Ni\n0.432956 0.866513 0.263071 Ni\n0.613955 0.228543 0.240846 O\n0.657661 0.315909 0.586572 O\n0.709531 0.419612 0.891018 O\n0.316449 0.633495 0.108477 O\n0.321686 0.643982 0.409531 O\n0.391233 0.782949 0.723095 O\n",
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"structure_string": "Na6 Fe2 O8\n1.0\n5.392415 0.000000 0.000000\n0.000000 5.947996 0.000000\n0.000000 0.000000 7.376431\nNa Fe O\n6 2 8\ndirect\n0.522868 0.847073 0.000000 Na\n0.015534 0.677704 0.241937 Na\n0.515535 0.322297 0.258063 Na\n0.022867 0.152928 0.500000 Na\n0.515535 0.322297 0.741937 Na\n0.015534 0.677704 0.758063 Na\n0.000960 0.182180 0.000000 Fe\n0.500961 0.817821 0.500000 Fe\n0.094913 0.905290 0.000000 O\n0.684864 0.202055 0.000000 O\n0.090298 0.298705 0.207188 O\n0.590298 0.701296 0.292812 O\n0.184863 0.797946 0.500000 O\n0.594913 0.094711 0.500000 O\n0.590298 0.701296 0.707188 O\n0.090298 0.298705 0.792812 O\n",
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"created_at": "2022-09-04T14:38:15.180558Z",
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"structure_string": "Ba2 Zn2 C2 O6 F4\n1.0\n2.448658 -4.241199 -0.000000\n2.448657 4.241199 0.000000\n0.000000 -0.000000 9.826677\nBa Zn C O F\n2 2 2 6 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666668 0.750000 Zn\n0.666668 0.333333 0.250000 Zn\n0.666668 0.333333 0.750000 C\n0.333333 0.666668 0.250000 C\n0.275167 0.896811 0.250000 O\n0.378356 0.275167 0.750000 O\n0.621645 0.724834 0.250000 O\n0.724834 0.103190 0.750000 O\n0.103190 0.378356 0.250000 O\n0.896811 0.621645 0.750000 O\n0.666668 0.333333 0.457387 F\n0.333333 0.666668 0.957387 F\n0.666668 0.333333 0.042613 F\n0.333333 0.666668 0.542613 F\n",
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{
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"updated_at": "2022-09-04T14:38:11.337907Z",
"structure_string": "Ca4 Ti4 O8\n1.0\n3.014439 -0.008686 0.018296\n-1.482502 8.155186 -0.146497\n-0.052057 -0.630652 8.303838\nCa Ti O\n4 4 8\ndirect\n0.731092 0.962220 0.326682 Ca\n0.268908 0.037780 0.673319 Ca\n0.876389 0.252941 0.059577 Ca\n0.123612 0.747059 0.940423 Ca\n0.584283 0.668307 0.597260 Ti\n0.050341 0.600848 0.278467 Ti\n0.949659 0.399152 0.721533 Ti\n0.415717 0.331693 0.402740 Ti\n0.852215 0.204340 0.532988 O\n0.529749 0.559248 0.805120 O\n0.470252 0.440753 0.194881 O\n0.147785 0.795661 0.467012 O\n0.686562 0.873075 0.774593 O\n0.618039 0.736066 0.159014 O\n0.313438 0.126925 0.225407 O\n0.381962 0.263935 0.840987 O\n",
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"formula_full": "Ca4 Ti4 O8",
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{
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"structure_string": "Li4 Cr2 Cu2 O8\n1.0\n6.031987 -0.591754 0.015835\n-0.223506 6.056821 0.015835\n-2.892950 -2.721910 3.971777\nLi Cr Cu O\n4 2 2 8\ndirect\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.499999 Li\n0.500000 0.000000 -0.000001 Li\n0.499999 0.500000 -0.000001 Li\n-0.000001 0.500000 -0.000001 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.264195 0.735809 0.015063 O\n0.271059 0.199265 0.485161 O\n0.264190 0.735803 0.484935 O\n0.800734 0.728940 0.014837 O\n0.199265 0.271060 0.985161 O\n0.735809 0.264196 0.515063 O\n0.728940 0.800734 0.514837 O\n0.735804 0.264191 0.984936 O\n",
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]
}