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{
"id": "jvasp-45278",
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"structure_string": "Ba4 Cu2 Si4 O14\n1.0\n8.398701 0.000000 0.000000\n0.000000 8.398701 -0.000000\n0.000000 -0.000000 5.318893\nBa Cu Si O\n4 2 4 14\ndirect\n0.666793 0.166793 0.507283 Ba\n0.833207 0.666793 0.492716 Ba\n0.166793 0.333207 0.492716 Ba\n0.333207 0.833207 0.507283 Ba\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.865684 0.365684 0.975755 Si\n0.634316 0.865684 0.024245 Si\n0.365684 0.134316 0.024245 Si\n0.134316 0.634316 0.975755 Si\n0.500000 0.000000 0.129971 O\n0.000000 0.500000 0.870029 O\n0.633812 0.866188 0.720313 O\n0.866188 0.366188 0.279686 O\n0.078664 0.802604 0.842759 O\n0.197396 0.078664 0.157241 O\n0.302604 0.578664 0.842759 O\n0.921335 0.197396 0.842759 O\n0.578664 0.697395 0.157241 O\n0.421335 0.302604 0.157241 O\n0.133812 0.633812 0.279686 O\n0.697395 0.421335 0.842759 O\n0.802604 0.921335 0.157241 O\n0.366188 0.133812 0.720313 O\n",
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{
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{
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"structure_string": "Ba2 Cu1 S2 Cl2\n1.0\n4.643403 0.038970 -7.086702\n-0.381116 4.627900 -7.086702\n-0.035591 -0.038970 8.472383\nBa Cu S Cl\n2 1 2 2\ndirect\n0.354755 0.354756 -0.000000 Ba\n0.645244 0.645245 -0.000000 Ba\n0.000000 0.000000 0.000000 Cu\n0.157407 0.157407 -0.000000 S\n0.842592 0.842593 -0.000001 S\n0.500000 -0.000000 0.500000 Cl\n-0.000000 0.500000 0.500000 Cl\n",
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{
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"updated_at": "2022-09-04T14:36:05.571357Z",
"structure_string": "Ba2 Cu1 P2 O8\n1.0\n5.175478 0.000000 0.000000\n-2.587739 5.897856 -1.637427\n0.000000 -0.016365 6.913869\nBa Cu P O\n2 1 2 8\ndirect\n0.826735 0.653470 0.784196 Ba\n0.173266 0.346532 0.215803 Ba\n0.500000 0.000000 0.500000 Cu\n0.865980 0.731960 0.297869 P\n0.134021 0.268042 0.702131 P\n0.367159 0.246310 0.561896 O\n0.120849 0.753691 0.438104 O\n0.632842 0.753691 0.438104 O\n0.879152 0.246310 0.561896 O\n0.743486 0.486973 0.157192 O\n0.047199 0.094398 0.824035 O\n0.952802 0.905604 0.175965 O\n0.256514 0.513029 0.842808 O\n",
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{
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"created_at": "2022-09-04T14:37:07.739798Z",
"updated_at": "2022-09-04T14:37:07.739819Z",
"structure_string": "Ba2 Cu1 Pd1\n1.0\n-10.006709 0.000000 -5.777377\n-10.471611 0.006467 6.582609\n-6.829155 10.308887 0.273691\nBa Cu Pd\n2 1 1\ndirect\n0.740954 -0.000000 0.000000 Ba\n0.259046 -0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.000000 Pd\n",
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"structure_string": "Ba2 Cu1 N2\n1.0\n3.906707 0.000000 -1.169337\n-0.350952 3.889963 -1.172515\n0.004953 0.011237 7.127293\nBa Cu N\n2 1 2\ndirect\n0.850392 0.850391 0.200782 Ba\n0.149608 0.149609 0.799217 Ba\n0.500000 0.500000 0.499999 Cu\n0.361107 0.361107 0.222214 N\n0.638893 0.638893 0.777785 N\n",
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{
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"created_at": "2022-09-04T14:36:40.377265Z",
"updated_at": "2022-09-04T14:36:40.377282Z",
"structure_string": "Ba2 Cu1 Hg1 O4\n1.0\n3.917525 -0.000000 0.000000\n0.000000 3.917525 0.000000\n0.000000 0.000000 9.729783\nBa Cu Hg O\n2 1 1 4\ndirect\n0.499999 0.499999 0.696971 Ba\n0.499999 0.499999 0.303029 Ba\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.793341 O\n0.000000 0.000000 0.206659 O\n0.000000 0.499999 0.500000 O\n0.499999 0.000000 0.500000 O\n",
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{
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"structure_string": "Ba4 Cu2 H12\n1.0\n7.375518 2.905616 -0.000000\n-7.375518 2.905616 -0.000000\n0.000000 -0.000000 5.810822\nBa Cu H\n4 2 12\ndirect\n0.141485 0.858517 0.500000 Ba\n0.641485 0.358517 0.000000 Ba\n0.858517 0.141485 0.500000 Ba\n0.358517 0.641485 0.000000 Ba\n0.500001 0.500001 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.710124 0.710124 0.290028 H\n0.289877 0.289877 0.709972 H\n0.108749 0.891253 0.000000 H\n0.608749 0.391253 0.500000 H\n0.891253 0.108749 0.000000 H\n0.999803 0.499803 0.250000 H\n0.500198 0.000198 0.750000 H\n0.210123 0.210123 0.209972 H\n0.499803 0.999803 0.250000 H\n0.000198 0.500198 0.750000 H\n0.391253 0.608749 0.500000 H\n0.789878 0.789878 0.790028 H\n",
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{
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"created_at": "2022-09-04T14:36:21.441852Z",
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"structure_string": "Ba4 Cu2 Ge4 O14\n1.0\n5.468101 0.000000 0.000000\n0.000000 8.583966 0.000000\n0.000000 0.000000 8.583966\nBa Cu Ge O\n4 2 4 14\ndirect\n0.993592 0.334028 0.165973 Ba\n0.006407 0.834028 0.334028 Ba\n0.993592 0.665973 0.834028 Ba\n0.006407 0.165973 0.665973 Ba\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.476427 0.361016 0.861016 Ge\n0.476427 0.638985 0.138985 Ge\n0.523573 0.138985 0.361016 Ge\n0.523573 0.861016 0.638985 Ge\n0.795770 0.366624 0.866624 O\n0.204230 0.133377 0.366624 O\n0.669549 0.684792 0.581107 O\n0.795770 0.633377 0.133377 O\n0.204230 0.866624 0.633377 O\n0.669549 0.081107 0.184792 O\n0.330451 0.184792 0.918893 O\n0.330451 0.815209 0.081107 O\n0.669549 0.918893 0.815209 O\n0.330451 0.581107 0.315208 O\n0.330451 0.418893 0.684792 O\n0.669549 0.315208 0.418893 O\n0.654282 0.000000 0.500000 O\n0.345718 0.500000 0.000000 O\n",
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"structure_string": "Ba4 Cu2 F12\n1.0\n5.959318 -0.000000 -0.000000\n0.000000 5.507210 -2.062763\n0.000000 0.037181 8.482284\nBa Cu F\n4 2 12\ndirect\n0.000000 0.149756 0.299513 Ba\n0.000000 0.850244 0.700487 Ba\n0.500000 0.649756 0.299513 Ba\n0.500000 0.350244 0.700487 Ba\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.828117 0.213759 0.000000 F\n0.328117 0.286241 0.000000 F\n0.250000 0.497994 0.500000 F\n0.500000 0.880457 0.760914 F\n0.250000 0.997994 0.500000 F\n0.171883 0.786241 0.000000 F\n0.671883 0.713759 0.000000 F\n0.000000 0.380457 0.760914 F\n0.500000 0.119543 0.239086 F\n0.000000 0.619543 0.239086 F\n0.750000 0.502006 0.500000 F\n0.750000 0.002006 0.500000 F\n",
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{
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{
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"updated_at": "2022-09-04T14:38:06.501531Z",
"structure_string": "Ba2 Cu1 C1 N2 O2\n1.0\n3.945509 0.000000 0.000000\n0.000000 3.945509 0.000000\n-0.000000 0.000000 8.496836\nBa Cu C N O\n2 1 1 2 2\ndirect\n0.500000 0.500000 0.724463 Ba\n0.500000 0.500000 0.275537 Ba\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.853835 N\n0.000000 0.000000 0.146166 N\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
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}