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{
"id": "jvasp-101936",
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"structure_string": "Fe4 H4 O8\n1.0\n2.802536 0.000000 0.000000\n-0.000000 4.430228 0.000000\n0.000000 0.000000 9.602797\nFe H O\n4 4 8\ndirect\n0.250000 0.530235 0.629192 Fe\n0.250000 0.969766 0.129192 Fe\n0.750001 0.469766 0.370808 Fe\n0.750001 0.030235 0.870808 Fe\n0.250000 0.009467 0.378679 H\n0.250000 0.490534 0.878680 H\n0.750001 0.990534 0.621321 H\n0.750001 0.509467 0.121321 H\n0.250000 0.187317 0.307745 O\n0.250000 0.312684 0.807745 O\n0.750001 0.812684 0.692256 O\n0.750001 0.687317 0.192256 O\n0.250000 0.706739 0.447070 O\n0.250000 0.793262 0.947070 O\n0.750001 0.293262 0.552930 O\n0.750001 0.206738 0.052930 O\n",
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{
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"structure_string": "Ti2 Fe2 H4\n1.0\n4.649443 -0.028265 0.000000\n-0.597195 4.611494 0.000000\n0.000000 0.000000 2.782959\nTi Fe H\n2 2 4\ndirect\n0.717988 0.781981 0.500000 Ti\n0.282011 0.218017 0.500000 Ti\n0.793832 0.293809 0.000000 Fe\n0.206166 0.706189 0.000000 Fe\n0.000000 0.000000 0.000000 H\n0.500000 -0.000001 0.000000 H\n0.499999 0.499999 0.000000 H\n-0.000001 0.500000 0.500000 H\n",
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{
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"structure_string": "Mn2 H2\n1.0\n1.301862 -2.254892 -0.000000\n1.301862 2.254892 -0.000000\n0.000000 0.000000 5.078336\nMn H\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666666 0.333332 0.250000 H\n0.333332 0.666666 0.750001 H\n",
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{
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"structure_string": "Mn2 H2\n1.0\n1.301863 -2.254894 0.000000\n1.301863 2.254894 0.000000\n0.000000 0.000000 5.078339\nMn H\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666666 0.333332 0.250000 H\n0.333332 0.666666 0.750000 H\n",
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{
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"created_at": "2022-09-04T14:37:01.020292Z",
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"structure_string": "H6 C4 F2\n1.0\n5.094879 0.000000 -0.692515\n0.000000 2.558617 0.000000\n0.007085 0.000000 6.861460\nH C F\n6 4 2\ndirect\n0.152687 0.000000 0.487621 H\n0.448949 0.500001 0.288903 H\n0.198650 0.500001 0.085154 H\n0.652731 0.500001 -0.012444 H\n0.948717 0.000000 0.788635 H\n0.698224 0.000000 0.585011 H\n0.126159 0.000000 0.326246 C\n0.234498 0.500001 0.247089 C\n0.626017 0.500001 0.826178 C\n0.734247 0.000000 0.746942 C\n0.844202 0.000000 0.268695 F\n0.344024 0.500001 0.768807 F\n",
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"structure_string": "Si1 B1 O3\n1.0\n3.340553 -0.000000 0.000000\n0.000000 3.340553 0.000000\n-0.000000 0.000000 3.340553\nSi B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:41.864900Z",
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"structure_string": "Li2 H2 O2\n1.0\n4.826323 -1.556036 0.506051\n4.826323 1.556036 0.506051\n-0.588098 0.000000 2.917085\nLi H O\n2 2 2\ndirect\n0.578289 0.578289 0.725152 Li\n0.285006 0.285006 -0.075896 Li\n0.886082 0.886082 0.533806 H\n0.061870 0.061870 0.197260 H\n0.904420 0.904420 0.863692 O\n0.152835 0.152835 0.378429 O\n",
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{
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"structure_string": "Li2 B12 C2\n1.0\n4.705272 0.000000 0.000000\n0.000000 4.778230 -2.307395\n0.000000 0.002127 5.306180\nLi B C\n2 12 2\ndirect\n0.500000 0.527744 0.115734 Li\n0.500000 0.115734 0.527744 Li\n0.817349 0.257618 0.257618 B\n0.693666 0.901523 0.097929 B\n0.693666 0.097928 0.901523 B\n0.183207 0.743118 0.743118 B\n0.000000 0.332613 0.993243 B\n0.306333 0.097928 0.901523 B\n0.000000 0.007513 0.668909 B\n0.000000 0.993243 0.332614 B\n0.306333 0.901523 0.097929 B\n0.182650 0.257618 0.257618 B\n0.000000 0.668909 0.007513 B\n0.816793 0.743118 0.743118 B\n0.646267 0.501638 0.501638 C\n0.353733 0.501638 0.501638 C\n",
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{
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"structure_string": "Fe4 H4 O8\n1.0\n2.862861 0.000000 0.000000\n0.000000 4.357217 0.000000\n0.000000 0.000000 9.571090\nFe H O\n4 4 8\ndirect\n0.190555 0.536926 0.358619 Fe\n0.190555 0.963075 0.858619 Fe\n0.690555 0.463074 0.641381 Fe\n0.690555 0.036926 0.141381 Fe\n0.190582 0.926372 0.591837 H\n0.190582 0.573629 0.091837 H\n0.690581 0.073629 0.408163 H\n0.690581 0.426372 0.908163 H\n0.190555 0.209962 0.699221 O\n0.190555 0.290038 0.199221 O\n0.690555 0.790039 0.300779 O\n0.690555 0.709962 0.800779 O\n0.190562 0.708152 0.554207 O\n0.190562 0.791849 0.054207 O\n0.690561 0.291849 0.445793 O\n0.690561 0.208151 0.945793 O\n",
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{
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"structure_string": "Fe4 H4 O8\n1.0\n2.862817 0.000000 0.000000\n0.000000 4.357644 0.000000\n0.000000 0.000000 9.571833\nFe H O\n4 4 8\ndirect\n0.249999 0.287054 0.641368 Fe\n0.250002 0.712945 0.141368 Fe\n0.749999 0.212945 0.358632 Fe\n0.750002 0.787054 0.858632 Fe\n0.250023 0.676257 0.408079 H\n0.249977 0.323742 0.908079 H\n0.750024 0.823741 0.591921 H\n0.749978 0.176258 0.091921 H\n0.250001 0.959782 0.300794 O\n0.250000 0.040217 0.800794 O\n0.750001 0.540217 0.699206 O\n0.750000 0.459783 0.199206 O\n0.249996 0.458081 0.445765 O\n0.250004 0.541919 0.945765 O\n0.749997 0.041919 0.554234 O\n0.750005 0.958080 0.054234 O\n",
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]
}