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{
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"structure_string": "Na2 C1 N2\n1.0\n2.505020 -2.472838 0.004694\n2.505020 2.472838 0.004694\n-1.789941 0.000000 5.160019\nNa C N\n2 1 2\ndirect\n0.322497 0.322497 0.691586 Na\n0.677501 0.677501 0.308412 Na\n0.000000 0.000000 0.000000 C\n0.162759 0.162759 0.226670 N\n0.837240 0.837240 0.773329 N\n",
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"structure_string": "Li6 P1 S5 I1\n1.0\n5.115172 5.115172 0.000000\n5.115172 -0.000000 -5.115172\n-0.000000 5.115172 -5.115172\nLi P S I\n6 1 5 1\ndirect\n0.023528 0.476472 0.023528 Li\n0.476472 0.023528 0.476472 Li\n0.023528 0.476472 0.476472 Li\n0.476472 0.023528 0.023528 Li\n0.023528 0.023528 0.476472 Li\n0.476472 0.476472 0.023528 Li\n0.500000 0.500000 0.500000 P\n0.616329 0.616329 0.151010 S\n0.616329 0.151010 0.616329 S\n0.151010 0.616329 0.616329 S\n0.616329 0.616329 0.616329 S\n0.250000 0.250000 0.250000 S\n0.000000 0.000000 0.000000 I\n",
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{
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"updated_at": "2022-09-04T14:37:40.533776Z",
"structure_string": "K8 Al6 Si6 Cl2 O24\n1.0\n9.347795 0.000000 -0.000000\n-0.000000 9.347795 -0.000000\n0.000000 -0.000000 9.347795\nK Al Si Cl O\n8 6 6 2 24\ndirect\n0.313524 0.313524 0.686477 K\n0.813524 0.813524 0.186476 K\n0.686477 0.313524 0.313524 K\n0.813524 0.186476 0.813524 K\n0.313524 0.686477 0.313524 K\n0.186476 0.186476 0.186476 K\n0.686477 0.686477 0.686477 K\n0.186476 0.813524 0.813524 K\n0.750000 0.500000 0.000000 Al\n0.000000 0.750000 0.500000 Al\n0.000000 0.250000 0.500000 Al\n0.250000 0.500000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.500000 0.000000 0.250000 Al\n0.250000 0.000000 0.500000 Si\n0.500000 0.750000 0.000000 Si\n0.500000 0.250000 0.000000 Si\n0.000000 0.500000 0.250000 Si\n0.000000 0.500000 0.750000 Si\n0.750000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.346357 0.023151 0.644445 O\n0.023151 0.355555 0.653643 O\n0.976850 0.355555 0.346357 O\n0.644445 0.346357 0.023151 O\n0.355555 0.653643 0.023151 O\n0.476850 0.153643 0.144445 O\n0.144445 0.476850 0.153643 O\n0.855556 0.523151 0.153643 O\n0.476850 0.846357 0.855556 O\n0.855556 0.476850 0.846357 O\n0.523151 0.846357 0.144445 O\n0.653643 0.976850 0.644445 O\n0.144445 0.523151 0.846357 O\n0.153643 0.855556 0.523151 O\n0.846357 0.144445 0.523151 O\n0.846357 0.855556 0.476850 O\n0.355555 0.346357 0.976850 O\n0.644445 0.653643 0.976850 O\n0.023151 0.644445 0.346357 O\n0.976850 0.644445 0.653643 O\n0.653643 0.023151 0.355555 O\n0.153643 0.144445 0.476850 O\n0.523151 0.153643 0.855556 O\n0.346357 0.976850 0.355555 O\n",
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{
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"created_at": "2022-09-04T14:38:35.336017Z",
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"structure_string": "Na4 C12 O12\n1.0\n6.605506 0.065953 -1.920671\n-3.017402 5.876423 -1.920671\n-0.006723 -0.011134 8.169239\nNa C O\n4 12 12\ndirect\n0.228978 0.771022 0.250000 Na\n0.478979 0.521022 0.750000 Na\n0.771023 0.228978 0.750000 Na\n0.521022 0.478978 0.250000 Na\n0.021611 0.771610 0.543221 C\n0.022744 0.759733 0.852810 C\n0.093077 0.330066 0.352810 C\n0.977257 0.240267 0.147191 C\n0.669934 0.906922 0.147191 C\n0.771610 0.021610 0.043220 C\n0.240268 0.977256 0.647191 C\n0.330067 0.093077 0.852810 C\n0.759733 0.022743 0.352810 C\n0.906924 0.669934 0.647191 C\n0.228391 0.978390 0.956780 C\n0.978391 0.228390 0.456780 C\n0.500229 0.716618 0.061885 O\n0.938345 0.654733 0.938115 O\n0.683650 0.933649 0.867299 O\n0.499772 0.283382 0.938115 O\n0.654734 0.938343 0.438115 O\n0.716619 0.500229 0.561885 O\n0.283382 0.499771 0.438115 O\n0.066351 0.316351 0.632702 O\n0.345268 0.061657 0.561885 O\n0.061657 0.345267 0.061885 O\n0.933650 0.683649 0.367298 O\n0.316351 0.066351 0.132702 O\n",
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"structure_string": "Sr2 Mg6\n1.0\n7.187371 0.000000 0.000000\n-3.593686 6.224446 0.000000\n0.000000 -0.000000 5.339219\nSr Mg\n2 6\ndirect\n0.333333 0.666667 0.250000 Sr\n0.666667 0.333333 0.750000 Sr\n0.301557 0.150778 0.250000 Mg\n0.849222 0.150778 0.250000 Mg\n0.849221 0.698443 0.250000 Mg\n0.698442 0.849222 0.750000 Mg\n0.150778 0.301558 0.750000 Mg\n0.150778 0.849222 0.750000 Mg\n",
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{
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"created_at": "2022-09-04T14:35:43.468239Z",
"updated_at": "2022-09-04T14:35:43.468270Z",
"structure_string": "Na8 Mg2 O6\n1.0\n5.557486 2.938678 0.125143\n-5.557486 2.938678 -0.125143\n-3.224824 0.000000 7.411085\nNa Mg O\n8 2 6\ndirect\n0.524611 0.922097 0.838892 Na\n0.077904 0.475390 0.338893 Na\n0.730837 0.973692 0.537930 Na\n0.972766 0.733699 0.932071 Na\n0.026309 0.269164 0.037930 Na\n0.266302 0.027235 0.432072 Na\n0.876465 0.450993 0.637366 Na\n0.549007 0.123536 0.137366 Na\n0.332150 0.376805 0.752676 Mg\n0.623196 0.667851 0.252676 Mg\n0.318995 0.681596 0.599566 O\n0.318405 0.681006 0.099566 O\n0.638368 0.345112 0.849108 O\n0.654889 0.361633 0.349109 O\n0.986982 0.112057 0.804757 O\n0.887944 0.013019 0.304757 O\n",
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{
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"structure_string": "C2 Cl2 F6\n1.0\n4.642103 0.000000 0.000000\n-0.000000 5.669540 -1.688671\n0.000000 -0.030348 5.915604\nC Cl F\n2 2 6\ndirect\n0.001294 0.313411 0.686588 C\n0.501293 0.686589 0.313411 C\n0.099733 0.135431 0.864568 Cl\n0.599733 0.864569 0.135431 Cl\n0.711895 0.327433 0.672566 F\n0.211895 0.672566 0.327433 F\n0.106289 0.224141 0.465624 F\n0.606288 0.775859 0.534375 F\n0.106289 0.534375 0.775858 F\n0.606288 0.465625 0.224141 F\n",
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{
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"structure_string": "K2 Ba1 Ti1\n1.0\n3.977602 0.000000 0.000000\n0.000000 3.976540 0.000000\n0.000000 0.000000 12.393365\nK Ba Ti\n2 1 1\ndirect\n0.000000 0.000000 0.007310 K\n0.500000 0.500000 0.696848 K\n0.500000 0.500000 0.307356 Ba\n0.000000 0.000000 0.488487 Ti\n",
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"structure_string": "Li2 B1 O3\n1.0\n4.104637 -2.366583 -0.068893\n4.104637 2.366583 -0.068893\n-0.172381 0.000000 2.787977\nLi B O\n2 1 3\ndirect\n0.827067 0.827067 0.908846 Li\n0.172934 0.172934 0.091158 Li\n0.500001 0.500001 0.500002 B\n0.642471 0.642471 0.341468 O\n1.000001 1.000001 0.500003 O\n0.357530 0.357530 0.658537 O\n",
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{
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{
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"structure_string": "Li1 O2\n1.0\n3.791972 0.000000 0.015557\n0.000000 2.612632 0.000000\n-0.011935 0.000000 2.927082\nLi O\n1 2\ndirect\n0.466670 0.000000 0.133353 Li\n-0.208454 0.000000 -0.366689 O\n0.141784 0.000000 -0.366663 O\n",
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]
}