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{
"id": "jvasp-35828",
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"structure_string": "Ba2 H4 O6\n1.0\n3.925323 0.000153 -0.000479\n-0.000025 5.848912 0.007284\n0.000808 -0.002321 6.332892\nBa H O\n2 4 6\ndirect\n0.000018 0.694143 0.183686 Ba\n0.000045 0.305758 0.683992 Ba\n0.789715 0.190759 0.214706 H\n0.210270 0.190761 0.214709 H\n0.210247 0.809164 0.714046 H\n0.789672 0.809170 0.714026 H\n-0.000003 0.185879 0.117199 O\n-0.000028 0.814005 0.616558 O\n0.500013 0.202684 0.386294 O\n0.499978 -0.202503 0.885733 O\n0.500039 0.458367 0.427473 O\n0.500028 0.541809 0.927371 O\n",
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{
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"structure_string": "Ba2 H4 O6\n1.0\n0.000000 5.361427 -0.213652\n4.087217 0.000000 0.000000\n0.000000 -1.764657 -6.587841\nBa H O\n2 4 6\ndirect\n0.859012 0.250000 0.722466 Ba\n0.140988 0.750001 0.277534 Ba\n0.623605 0.750001 0.047579 H\n0.376396 0.250000 -0.047580 H\n0.401775 0.750001 0.780025 H\n0.598225 0.250000 0.219974 H\n0.669557 0.750001 0.436365 O\n0.330443 0.250000 0.563634 O\n0.709190 0.750001 0.934956 O\n0.290810 0.250000 0.065043 O\n0.217270 0.750001 0.705801 O\n0.782730 0.250000 0.294199 O\n",
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{
"id": "jvasp-22690",
"created_at": "2022-09-04T14:36:57.671698Z",
"updated_at": "2022-09-04T14:36:57.671742Z",
"structure_string": "Ba2 H6 Os1\n1.0\n4.037743 4.037743 0.000000\n0.000000 4.037743 4.037743\n4.037743 0.000000 4.037743\nBa H Os\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.217372 0.782627 0.782627 H\n0.217372 0.217372 0.782627 H\n0.217372 0.782627 0.217372 H\n0.782627 0.217372 0.217372 H\n0.782627 0.782627 0.217372 H\n0.782627 0.217372 0.782627 H\n0.000000 0.000000 0.000000 Os\n",
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{
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"updated_at": "2022-09-04T14:36:53.479755Z",
"structure_string": "Ba2 H6 Ru1\n1.0\n4.024417 4.024417 0.000000\n-0.000000 4.024417 4.024417\n4.024417 0.000000 4.024417\nBa H Ru\n2 6 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.250000 0.250000 0.250000 Ba\n0.217246 0.782755 0.782755 H\n0.217246 0.217246 0.782755 H\n0.217246 0.782755 0.217246 H\n0.782755 0.217246 0.217246 H\n0.782755 0.782755 0.217246 H\n0.782755 0.217246 0.782755 H\n0.000000 0.000000 0.000000 Ru\n",
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{
"id": "jvasp-52874",
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"structure_string": "Ba2 H8 Br4 O4\n1.0\n4.828167 3.545454 -2.090145\n-4.828167 3.545454 2.090145\n-0.007890 0.000000 8.367172\nBa H Br O\n2 8 4 4\ndirect\n0.899191 0.899191 0.750000 Ba\n0.100808 0.100808 0.250000 Ba\n0.604941 0.753266 0.368133 H\n0.395058 0.246733 0.631867 H\n0.246733 0.395058 0.868132 H\n0.753266 0.604941 0.131867 H\n0.590354 0.767336 0.049572 H\n0.232663 0.409645 0.549572 H\n0.409645 0.232663 0.950428 H\n0.767336 0.590354 0.450428 H\n0.741728 0.304926 0.852481 Br\n0.304926 0.741728 0.647519 Br\n0.258271 0.695073 0.147519 Br\n0.695073 0.258271 0.352481 Br\n0.748509 0.762709 0.058287 O\n0.251490 0.237290 0.941712 O\n0.237290 0.251490 0.558287 O\n0.762709 0.748509 0.441712 O\n",
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{
"id": "jvasp-12591",
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"updated_at": "2022-09-04T14:38:33.512461Z",
"structure_string": "Ba2 H8 I4 O4\n1.0\n6.371197 0.049195 2.167323\n1.861611 6.093355 2.167323\n-0.011236 -0.008384 8.623284\nBa H I O\n2 8 4 4\ndirect\n0.595868 0.404132 0.250000 Ba\n0.404132 0.595867 0.749999 Ba\n0.879623 0.285551 0.546092 H\n0.714448 0.120377 0.953907 H\n0.285552 0.879622 0.046092 H\n0.271697 0.868214 0.376399 H\n0.868215 0.271696 0.876398 H\n0.728303 0.131785 0.623600 H\n0.131785 0.728303 0.123601 H\n0.120377 0.714448 0.453907 H\n0.807374 0.769632 0.849973 I\n0.230367 0.192626 0.650026 I\n0.769633 0.807373 0.349973 I\n0.192626 0.230367 0.150026 I\n0.270762 0.717532 0.442849 O\n0.717532 0.270762 0.942849 O\n0.729238 0.282467 0.557150 O\n0.282468 0.729237 0.057150 O\n",
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{
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"created_at": "2022-09-04T14:38:30.496548Z",
"updated_at": "2022-09-04T14:38:30.496576Z",
"structure_string": "Ba2 H8 O12\n1.0\n5.314198 2.437102 -1.350652\n-5.314198 2.437102 1.350652\n-1.253091 0.000000 9.521677\nBa H O\n2 8 12\ndirect\n0.878386 0.878386 0.750000 Ba\n0.121613 0.121613 0.250000 Ba\n0.195277 0.569930 0.680002 H\n0.569930 0.195277 0.819998 H\n0.804722 0.430069 0.319998 H\n0.430069 0.804722 0.180002 H\n0.740907 0.390201 0.480246 H\n0.390202 0.740907 0.019754 H\n0.259092 0.609797 0.519754 H\n0.609798 0.259092 -0.019754 H\n0.498902 0.245453 0.875408 O\n0.245453 0.498902 0.624593 O\n-0.164967 0.426143 0.141927 O\n0.426143 -0.164967 0.358074 O\n0.164967 0.573856 0.858074 O\n0.283569 0.038532 0.575315 O\n-0.038533 0.716431 0.075314 O\n0.716431 -0.038533 0.424686 O\n0.038532 0.283569 0.924686 O\n0.754546 0.501097 0.375408 O\n0.573856 0.164967 0.641927 O\n0.501097 0.754546 0.124593 O\n",
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{
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"created_at": "2022-09-04T14:37:07.111622Z",
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"structure_string": "Ba2 H8 O12\n1.0\n4.099604 4.432320 -0.364968\n-4.099604 4.432320 0.364968\n0.062568 0.000000 6.372455\nBa H O\n2 8 12\ndirect\n0.806605 0.806604 0.749999 Ba\n0.193396 0.193396 0.250000 Ba\n0.984474 0.670834 0.263700 H\n0.670834 0.984474 0.236300 H\n0.015526 0.329166 0.736299 H\n0.329166 0.015526 0.763700 H\n0.356729 0.731528 0.068404 H\n0.731528 0.356729 0.431595 H\n0.643271 0.268472 0.931595 H\n0.268472 0.643271 0.568404 H\n0.470060 0.096191 0.921690 O\n0.096192 0.470060 0.578309 O\n0.373165 0.772402 0.562895 O\n0.772402 0.373165 0.937104 O\n0.626835 0.227598 0.437105 O\n0.047762 0.775011 0.141325 O\n0.224989 0.952238 0.641325 O\n0.952239 0.224989 0.858674 O\n0.775011 0.047762 0.358674 O\n0.903809 0.529940 0.421691 O\n0.227598 0.626835 0.062895 O\n0.529940 0.903808 0.078309 O\n",
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"structure_string": "Ba2 H8 O12\n1.0\n3.822994 4.784301 -0.446448\n-3.822994 4.784301 0.446448\n-0.029141 0.000000 6.489607\nBa H O\n2 8 12\ndirect\n0.810674 0.810674 0.750000 Ba\n0.172421 0.172421 0.250000 Ba\n0.405640 0.434562 -0.049734 H\n0.349090 0.664592 0.042500 H\n0.434562 0.405640 0.549734 H\n0.664592 0.349090 0.457500 H\n0.023890 0.328484 0.694245 H\n0.328484 0.023890 0.805756 H\n0.952326 0.664013 0.292067 H\n0.664013 0.952326 0.207933 H\n0.431583 0.079574 0.911117 O\n0.079574 0.431583 0.588884 O\n0.389868 0.778502 0.560366 O\n0.778502 0.389868 0.939635 O\n0.534175 0.284033 0.490371 O\n0.974034 0.806933 0.202830 O\n0.212398 0.912094 0.635928 O\n0.912094 0.212398 0.864073 O\n0.806933 0.974033 0.297170 O\n0.881007 0.494947 0.430072 O\n0.284033 0.534175 0.009629 O\n0.494947 0.881007 0.069928 O\n",
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{
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"structure_string": "Ba2 H8 O12\n1.0\n6.029566 -0.278567 0.124553\n-0.722046 5.989117 -0.026641\n-0.195366 -0.619690 6.553959\nBa H O\n2 8 12\ndirect\n0.145465 0.809812 0.259600 Ba\n0.876915 0.206802 0.816626 Ba\n0.905733 0.660367 0.709077 H\n0.638567 0.056873 0.227247 H\n0.637712 0.728185 0.991160 H\n0.540666 0.126272 0.519181 H\n0.374660 0.304991 0.089816 H\n0.669474 0.657596 0.434910 H\n0.074648 0.356381 0.387695 H\n0.345271 0.964552 0.786505 H\n0.545783 0.109079 0.105893 O\n0.871367 0.541731 0.545586 O\n0.568135 0.770055 0.418484 O\n0.243972 0.387879 0.084215 O\n0.440454 0.210169 0.611215 O\n0.939162 0.759982 0.875939 O\n0.731535 0.983323 0.407786 O\n0.068822 0.236199 0.188972 O\n0.264373 0.026287 0.667795 O\n0.094516 0.465928 0.526853 O\n0.764248 0.631453 -0.002053 O\n0.478718 0.900499 0.962709 O\n",
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}