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{
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{
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{
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"structure_string": "Fe2 B20 H52 O16\n1.0\n0.000000 -6.765505 0.000000\n6.311068 -3.382752 -1.650586\n6.294222 -3.382752 17.123391\nFe B H O\n2 20 52 16\ndirect\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.307909 0.382653 0.655393 B\n0.345955 0.117347 0.844607 B\n0.692091 0.617347 0.344607 B\n0.654045 0.882653 0.155393 B\n0.103280 0.371366 0.721864 B\n0.196511 0.128634 0.778136 B\n0.896720 0.628634 0.278136 B\n0.803489 0.871366 0.221864 B\n0.299359 0.467369 0.736359 B\n0.503087 0.032631 0.763641 B\n0.700642 0.532631 0.263641 B\n0.496913 0.967369 0.236359 B\n0.534568 0.236249 0.701420 B\n0.472237 0.263751 0.798580 B\n0.465432 0.763751 0.298580 B\n0.527763 0.736249 0.201420 B\n0.166792 0.358902 0.813008 B\n0.338701 0.141098 0.686992 B\n0.833208 0.641098 0.186992 B\n0.661299 0.858902 0.313008 B\n0.334171 0.280398 0.944441 H\n0.559010 0.219602 0.555559 H\n0.665829 0.719602 0.055559 H\n0.440990 0.780398 0.444441 H\n0.261925 0.247404 0.029274 H\n0.538602 0.252596 0.470726 H\n0.738075 0.752596 0.970726 H\n0.461398 0.747404 0.529274 H\n0.129648 0.198626 0.583211 H\n0.911485 0.301374 0.916789 H\n0.870352 0.801374 0.416789 H\n0.088515 0.698626 0.083211 H\n0.896540 0.366260 0.558620 H\n0.821420 0.133740 0.941380 H\n0.103460 0.633740 0.441380 H\n0.178580 0.866260 0.058620 H\n0.058695 0.723451 0.630896 H\n0.413042 0.776549 0.869104 H\n0.941305 0.276549 0.369104 H\n0.586958 0.223451 0.130896 H\n0.857104 0.939655 0.647861 H\n0.444619 0.560345 0.852139 H\n0.142896 0.060345 0.352139 H\n0.555381 0.439655 0.147861 H\n0.025247 0.809675 0.909157 H\n0.744079 0.690325 0.590843 H\n0.974753 0.190325 0.090843 H\n0.255921 0.309675 0.409157 H\n0.814031 0.929342 0.866642 H\n0.610015 0.570658 0.633358 H\n0.185969 0.070658 0.133358 H\n0.389985 0.429342 0.366642 H\n0.296571 0.467209 0.593993 H\n0.357773 0.032791 0.906007 H\n0.703429 0.532791 0.406007 H\n0.642227 0.967209 0.093993 H\n0.910446 0.459213 0.710997 H\n0.080656 0.040787 0.789003 H\n0.089554 0.540787 0.289003 H\n0.919344 0.959213 0.210997 H\n0.278685 0.638626 0.737448 H\n0.654758 0.861374 0.762552 H\n0.721315 0.361374 0.262552 H\n0.345242 0.138626 0.237448 H\n0.720534 0.205981 0.672768 H\n0.599284 0.294019 0.827232 H\n0.279466 0.794019 0.327232 H\n0.400716 0.705981 0.172768 H\n0.024479 0.475154 0.854997 H\n0.354630 0.024846 0.645003 H\n0.975521 0.524846 0.145003 H\n0.645370 0.975154 0.354997 H\n0.329918 0.323611 0.992014 O\n0.645544 0.176389 0.507986 O\n0.670082 0.676389 0.007986 O\n0.354456 0.823611 0.492014 O\n0.029113 0.236107 0.545449 O\n0.810670 0.263893 0.954551 O\n0.970887 0.763893 0.454551 O\n0.189330 0.736107 0.045449 O\n0.938244 0.846638 0.608882 O\n0.393763 0.653362 0.891118 O\n0.061756 0.153362 0.391118 O\n0.606237 0.346638 0.108882 O\n0.861819 0.894620 0.915862 O\n0.672300 0.605380 0.584138 O\n0.138181 0.105380 0.084138 O\n0.327700 0.394620 0.415862 O\n",
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{
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{
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{
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