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{
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{
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"structure_string": "Ba1 Zn1 Ni4 O8\n1.0\n2.616995 -4.532769 0.000000\n2.616995 4.532769 0.000000\n-0.000000 0.000000 7.107449\nBa Zn Ni O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333332 0.666666 0.741522 Ni\n0.666666 0.333332 0.741522 Ni\n0.333332 0.666666 0.258478 Ni\n0.666666 0.333332 0.258478 Ni\n0.319842 0.319842 0.680023 O\n0.680157 -0.000001 0.680023 O\n-0.000001 0.680157 0.680023 O\n0.680156 0.680156 0.319977 O\n-0.000000 0.319843 0.319977 O\n0.319843 -0.000000 0.319977 O\n0.333332 0.666666 0.000000 O\n0.666666 0.333332 0.000000 O\n",
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{
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"structure_string": "Ba6 Zn10 In4 O22\n1.0\n8.257721 0.000000 4.767597\n2.752574 7.785454 4.767597\n0.000000 0.000000 9.535194\nBa Zn In O\n6 10 4 22\ndirect\n0.294113 0.294113 0.705887 Ba\n0.294113 0.705886 0.294114 Ba\n0.705887 0.294113 0.294114 Ba\n0.705887 0.705886 0.294114 Ba\n0.294113 0.705886 0.705887 Ba\n0.705887 0.294113 0.705887 Ba\n0.418502 0.081498 0.081498 Zn\n0.751112 0.082962 0.082963 Zn\n0.418502 0.081498 0.418502 Zn\n0.081498 0.418502 0.418502 Zn\n0.081498 0.418502 0.081498 Zn\n0.418502 0.418502 0.081498 Zn\n0.082962 0.082962 0.751112 Zn\n0.082962 0.751112 0.082963 Zn\n0.082962 0.082962 0.082963 Zn\n0.081498 0.081498 0.418502 Zn\n0.834878 0.834878 0.834879 In\n0.834878 0.834878 0.495364 In\n0.834879 0.495364 0.834879 In\n0.495363 0.834878 0.834879 In\n0.671330 0.333633 0.997518 O\n0.667825 0.996523 0.667826 O\n0.667825 0.667825 0.996524 O\n0.342390 0.342390 0.972830 O\n0.997518 0.997517 0.333634 O\n0.333633 0.671330 0.997518 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.997518 0.671330 0.997518 O\n0.997518 0.333633 0.997518 O\n0.342390 0.972830 0.342391 O\n0.972830 0.342390 0.342390 O\n0.997518 0.997517 0.671331 O\n0.667825 0.667825 0.667826 O\n0.671330 0.997517 0.997518 O\n0.333633 0.997517 0.997518 O\n0.333633 0.997517 0.671331 O\n0.342390 0.342390 0.342390 O\n0.997518 0.671330 0.333634 O\n0.671330 0.997517 0.333634 O\n0.997518 0.333633 0.671331 O\n0.996523 0.667825 0.667826 O\n",
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{
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"created_at": "2022-09-04T14:35:44.359429Z",
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"structure_string": "Ba4 Zn2 H12 O12\n1.0\n6.557615 0.000000 -0.597324\n0.000000 5.737722 0.000000\n-0.918860 0.000000 9.848841\nBa Zn H O\n4 2 12 12\ndirect\n0.043701 0.502808 0.280714 Ba\n0.543700 -0.002809 0.780715 Ba\n-0.043701 0.497191 0.719285 Ba\n0.456299 0.002809 0.219286 Ba\n0.500000 0.500000 0.000000 Zn\n-0.000000 0.000000 0.500000 Zn\n0.754351 0.813031 0.106076 H\n0.254352 0.686968 0.606076 H\n0.245648 0.186969 0.893924 H\n0.037705 0.783882 0.988672 H\n0.537705 0.716117 0.488673 H\n0.745648 0.313031 0.393925 H\n0.462294 0.283882 0.511328 H\n-0.135091 0.288473 -0.002441 H\n0.364909 0.211527 0.497559 H\n0.135091 0.711526 0.002441 H\n0.635091 0.788473 0.502441 H\n-0.037705 0.216117 0.011328 H\n0.846330 0.290023 0.479987 O\n0.346330 0.209977 -0.020013 O\n0.581725 0.484198 0.774593 O\n0.081725 0.015802 0.274593 O\n0.418275 0.515802 0.225408 O\n0.629925 0.417398 0.216937 O\n0.129926 0.082601 0.716937 O\n0.870074 0.917398 0.283063 O\n0.370074 0.582601 0.783063 O\n0.653669 0.790023 0.020013 O\n-0.081725 -0.015802 0.725407 O\n0.153670 0.709977 0.520013 O\n",
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"structure_string": "Ba1 Zn1 Fe4 O8\n1.0\n2.689628 -4.658573 -0.000000\n2.689628 4.658573 -0.000000\n-0.000000 -0.000000 7.246895\nBa Zn Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.740883 Fe\n0.666667 0.333333 0.740883 Fe\n0.333333 0.666667 0.259118 Fe\n0.666667 0.333333 0.259118 Fe\n0.315330 0.315330 0.676863 O\n0.684670 0.000000 0.676863 O\n0.000000 0.684670 0.676863 O\n0.684671 0.684671 0.323138 O\n0.000000 0.315330 0.323138 O\n0.315330 0.000000 0.323138 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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"structure_string": "Ba1 Zn1 Cu4 O8\n1.0\n2.651112 -4.591859 -0.000000\n2.651112 4.591859 -0.000000\n0.000000 0.000000 7.110091\nBa Zn Cu O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.735479 Cu\n0.666667 0.333333 0.735479 Cu\n0.333333 0.666667 0.264521 Cu\n0.666667 0.333333 0.264521 Cu\n0.311474 0.311474 0.678010 O\n0.688526 -0.000000 0.678010 O\n-0.000000 0.688526 0.678010 O\n0.688525 0.688525 0.321990 O\n-0.000000 0.311474 0.321990 O\n0.311474 -0.000000 0.321990 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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"structure_string": "Ba2 Zn4 Cu4 As6\n1.0\n6.683574 0.013213 0.000000\n-5.361798 3.990170 0.000000\n-0.000000 -0.000000 12.245006\nBa Zn Cu As\n2 4 4 6\ndirect\n0.178760 0.821239 0.250000 Ba\n0.821238 0.178760 0.750000 Ba\n0.831691 0.168307 0.057381 Zn\n0.168307 0.831692 0.942619 Zn\n0.168307 0.831692 0.557382 Zn\n0.831691 0.168307 0.442619 Zn\n0.454907 0.545091 0.145109 Cu\n0.545091 0.454908 0.854891 Cu\n0.545091 0.454908 0.645109 Cu\n0.454907 0.545091 0.354891 Cu\n0.623435 0.376564 0.046072 As\n0.376564 0.623435 0.953929 As\n0.376564 0.623435 0.546072 As\n0.623435 0.376564 0.453928 As\n0.905362 0.094636 0.250000 As\n0.094637 0.905363 0.750000 As\n",
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{
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"structure_string": "Ba1 Zn1 Cr4 O8\n1.0\n2.683241 -4.647510 0.000000\n2.683241 4.647510 0.000000\n-0.000000 -0.000000 7.166785\nBa Zn Cr O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.739868 Cr\n0.666667 0.333333 0.739868 Cr\n0.333333 0.666667 0.260131 Cr\n0.666667 0.333333 0.260131 Cr\n0.317733 0.317733 0.678248 O\n0.682267 -0.000000 0.678248 O\n-0.000000 0.682267 0.678248 O\n0.682267 0.682267 0.321751 O\n-0.000000 0.317733 0.321751 O\n0.317733 -0.000000 0.321751 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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"structure_string": "Ba4 Zn4 Cl2 F14\n1.0\n0.000000 7.706369 0.018865\n5.854690 0.000000 0.000000\n0.000000 -2.598905 -8.622901\nBa Zn Cl F\n4 4 2 14\ndirect\n0.331888 0.750000 0.588946 Ba\n0.702284 0.250000 0.926423 Ba\n0.297715 0.750000 0.073577 Ba\n0.668111 0.250000 0.411054 Ba\n0.185923 0.250000 0.828327 Zn\n0.826518 0.750000 0.732452 Zn\n0.814076 0.750000 0.171672 Zn\n0.173481 0.250000 0.267547 Zn\n0.117905 0.250000 0.530320 Cl\n0.882094 0.750000 0.469679 Cl\n0.373858 0.006230 0.840883 F\n0.626141 0.506230 0.159116 F\n0.638261 0.000656 0.653547 F\n0.638261 0.499344 0.653547 F\n0.373858 0.493770 0.840883 F\n0.361738 -0.000656 0.346452 F\n0.361738 0.500656 0.346452 F\n0.740990 0.750000 0.930606 F\n0.006344 0.501842 0.832212 F\n0.259009 0.250000 0.069393 F\n0.626141 0.993770 0.159116 F\n0.006344 0.998158 0.832212 F\n0.993655 0.001842 0.167788 F\n0.993655 0.498158 0.167788 F\n",
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"structure_string": "Ba1 Zn1 Bi4 O8\n1.0\n3.120062 -5.404105 -0.000000\n3.120062 5.404105 -0.000000\n-0.000000 -0.000000 7.440155\nBa Zn Bi O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.716167 Bi\n0.666667 0.333333 0.716167 Bi\n0.333333 0.666667 0.283832 Bi\n0.666667 0.333333 0.283832 Bi\n0.274412 0.274412 0.694508 O\n0.725588 -0.000001 0.694508 O\n-0.000001 0.725588 0.694508 O\n0.725588 0.725588 0.305491 O\n-0.000000 0.274412 0.305491 O\n0.274412 -0.000000 0.305491 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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}