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{
"id": "jvasp-43031",
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"structure_string": "Mn6 O2 F10\n1.0\n0.000000 6.944502 0.001359\n3.214771 0.000000 0.000000\n0.000000 -3.472679 -9.953817\nMn O F\n6 2 10\ndirect\n0.000000 0.000000 0.000000 Mn\n0.825779 0.500000 0.651569 Mn\n0.500000 0.500000 -0.000000 Mn\n0.649004 0.000000 0.298049 Mn\n0.350995 0.000000 0.701952 Mn\n0.174221 0.500000 0.348431 Mn\n0.406905 0.500000 0.813682 O\n0.593094 0.500000 0.186318 O\n0.974179 0.000000 0.339578 F\n0.277183 0.500000 0.554464 F\n0.722816 0.500000 0.445536 F\n0.365440 0.000000 0.339654 F\n0.931427 0.500000 0.862965 F\n0.025821 0.000000 0.660422 F\n0.303605 0.000000 0.999946 F\n0.634559 0.000000 0.660346 F\n0.696395 0.000000 0.000054 F\n0.068572 0.500000 0.137035 F\n",
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{
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"structure_string": "P10 Au7 I1\n1.0\n3.132558 -5.425749 -0.000000\n3.132558 5.425749 0.000000\n0.000000 -0.000000 11.366409\nP Au I\n10 7 1\ndirect\n0.666667 0.333333 0.294557 P\n0.666667 0.333333 0.705443 P\n0.333333 0.666667 0.705443 P\n0.374928 0.374928 0.797084 P\n0.625073 0.000000 0.202916 P\n0.333333 0.666667 0.294557 P\n0.000000 0.625073 0.797084 P\n0.625073 0.000000 0.797084 P\n0.374928 0.374928 0.202916 P\n0.000000 0.625073 0.202916 P\n0.452014 0.452014 0.000000 Au\n0.333333 0.666667 0.500000 Au\n0.000000 0.000000 0.770879 Au\n0.666667 0.333333 0.500000 Au\n0.000000 0.000000 0.229121 Au\n0.000000 0.547986 0.000000 Au\n0.547986 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 I\n",
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{
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"updated_at": "2022-09-04T14:38:14.863549Z",
"structure_string": "Li2 Fe4 O2 F10\n1.0\n0.000000 4.671191 0.010836\n4.670048 0.000000 0.000000\n0.000000 -4.668591 -9.136962\nLi Fe O F\n2 4 2 10\ndirect\n0.005607 0.252419 0.999516 Li\n0.005607 0.747581 0.499516 Li\n0.688081 0.243466 0.678343 Fe\n0.313967 0.227172 0.334250 Fe\n0.688081 0.756534 0.178343 Fe\n0.313967 0.772829 0.834250 Fe\n0.025630 0.051104 0.821835 O\n0.025630 0.948896 0.321835 O\n0.969267 0.446665 0.166869 F\n0.969267 0.553335 0.666869 F\n0.617977 0.536383 0.326902 F\n0.315049 0.561919 0.003941 F\n0.367176 0.049790 0.167309 F\n0.697241 0.947149 0.001034 F\n0.697241 0.052851 0.501034 F\n0.315049 0.438082 0.503941 F\n0.367176 0.950210 0.667309 F\n0.617977 0.463617 0.826901 F\n",
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{
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"created_at": "2022-09-04T14:38:14.973830Z",
"updated_at": "2022-09-04T14:38:14.973854Z",
"structure_string": "Cu2 H4 S2 O10\n1.0\n5.026271 0.102636 0.021590\n0.067554 5.224414 -0.047086\n-2.424991 -2.662924 6.829475\nCu H S O\n2 4 2 10\ndirect\n0.499999 0.500000 0.499999 Cu\n0.000000 0.000000 0.000000 Cu\n0.809274 0.418556 0.790190 H\n0.190725 0.581444 0.209809 H\n0.010143 0.450860 0.675779 H\n0.989856 0.549140 0.324220 H\n0.386338 0.080907 0.761854 S\n0.613660 0.919093 0.238144 S\n0.271681 0.210790 0.617333 O\n0.728318 0.789211 0.382666 O\n0.334484 0.776543 0.675014 O\n0.665515 0.223457 0.324985 O\n0.737712 0.819540 0.077634 O\n0.300315 0.836870 0.151743 O\n0.262286 0.180460 0.922364 O\n0.145973 0.462838 0.276428 O\n0.699683 0.163131 0.848256 O\n0.854025 0.537163 0.723570 O\n",
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{
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"created_at": "2022-09-04T14:38:15.400946Z",
"updated_at": "2022-09-04T14:38:15.400972Z",
"structure_string": "Rb6 H10 Pd2\n1.0\n7.685193 -0.000000 0.000000\n-0.000000 7.685193 0.000000\n0.000000 0.000000 6.013351\nRb H Pd\n6 10 2\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.184561 0.684560 0.500000 Rb\n0.815439 0.315439 0.500000 Rb\n0.684560 0.815439 0.500000 Rb\n0.315439 0.184561 0.500000 Rb\n0.109871 0.390128 0.193285 H\n0.890128 0.609871 0.193285 H\n0.609871 0.109871 0.193285 H\n0.390128 0.890128 0.193285 H\n0.890128 0.609871 0.806715 H\n0.609871 0.109871 0.806715 H\n0.390128 0.890128 0.806715 H\n0.500000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.109871 0.390128 0.806715 Pd\n0.000000 0.500000 0.000000 Pd\n",
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{
"id": "jvasp-25664",
"created_at": "2022-09-04T14:38:15.485879Z",
"updated_at": "2022-09-04T14:38:15.485903Z",
"structure_string": "Sr4 Cu2 F12\n1.0\n5.450174 -0.000000 -1.891621\n-0.000000 5.764685 -0.000000\n-0.021323 0.000000 8.735948\nSr Cu F\n4 2 12\ndirect\n0.661764 0.500000 0.323528 Sr\n0.161764 0.000000 0.323528 Sr\n0.838236 0.000000 0.676472 Sr\n0.338236 0.500000 0.676472 Sr\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.414156 0.167538 0.162561 F\n0.492733 0.250000 0.500000 F\n0.585843 0.832463 0.837439 F\n0.748404 0.832463 0.162561 F\n0.085844 0.667538 0.837439 F\n0.507266 0.750001 0.500000 F\n0.248404 0.667538 0.162561 F\n0.251596 0.167538 0.837439 F\n0.992733 0.250000 0.500000 F\n0.751595 0.332463 0.837439 F\n0.007267 0.750001 0.500000 F\n0.914156 0.332463 0.162561 F\n",
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{
"id": "jvasp-12547",
"created_at": "2022-09-04T14:38:15.693132Z",
"updated_at": "2022-09-04T14:38:15.693145Z",
"structure_string": "K2 Ba8 Bi6 O2\n1.0\n8.165436 -0.000000 -3.869418\n-1.833630 7.956893 -3.869418\n0.012678 0.015932 10.577016\nK Ba Bi O\n2 8 6 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 -0.000000 K\n0.502228 0.688015 0.690242 Ba\n0.002227 0.502227 0.690242 Ba\n0.188015 0.002227 0.690243 Ba\n0.688015 0.188015 0.690243 Ba\n-0.002227 0.497772 0.309758 Ba\n0.311985 0.811985 0.309758 Ba\n0.497773 0.311985 0.309758 Ba\n0.811985 -0.002227 0.309758 Ba\n0.750000 0.750000 0.500000 Bi\n0.250000 0.250000 0.500000 Bi\n0.378114 0.878114 -0.000000 Bi\n0.878114 0.621886 -0.000000 Bi\n0.621886 0.121886 -0.000000 Bi\n0.121886 0.378114 -0.000000 Bi\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n",
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"structure_string": "Tl8 Si2 S8\n1.0\n7.264146 0.003583 2.191178\n2.267998 8.141493 0.912047\n-0.017006 0.005720 8.500543\nTl Si S\n8 2 8\ndirect\n0.486510 0.597757 0.372662 Tl\n0.581234 0.992936 0.245249 Tl\n0.081233 0.245249 0.992936 Tl\n0.552717 0.405729 0.981564 Tl\n0.052717 0.981563 0.405730 Tl\n0.576943 0.785731 0.786900 Tl\n0.076942 0.786900 0.785731 Tl\n-0.013491 0.372662 0.597758 Tl\n0.028921 0.619283 0.201251 Si\n0.528921 0.201250 0.619284 Si\n0.204382 0.780463 0.086762 S\n0.352234 0.050389 0.603235 S\n0.844344 0.720682 0.430516 S\n0.203919 0.379148 0.248139 S\n0.703919 0.248139 0.379148 S\n0.704382 0.086761 0.780464 S\n0.852235 0.603235 0.050390 S\n0.344343 0.430515 0.720682 S\n",
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"created_at": "2022-09-04T14:38:16.119891Z",
"updated_at": "2022-09-04T14:38:16.119926Z",
"structure_string": "Li4 Cr2 P2 O8 F2\n1.0\n5.220306 0.017495 0.005720\n-0.388278 5.504658 0.025762\n-2.183429 -2.415443 6.721596\nLi Cr P O F\n4 2 2 8 2\ndirect\n0.114688 0.534899 0.094629 Li\n0.525927 0.215439 0.853473 Li\n0.500812 0.882835 0.467193 Li\n0.753234 0.443261 0.643911 Li\n-0.001742 0.004513 0.022302 Cr\n0.008026 0.994491 0.509804 Cr\n0.641127 0.330265 0.252954 P\n0.365509 0.682960 0.795756 P\n0.349472 0.262986 0.096096 O\n0.685376 0.596591 0.411292 O\n0.639583 0.788167 0.963888 O\n0.836254 0.321433 0.127861 O\n0.692244 0.134063 0.365567 O\n0.376670 0.407307 0.672300 O\n0.322794 0.870637 0.672025 O\n0.120757 0.675949 0.877056 O\n0.838127 0.133758 0.723798 F\n0.159027 0.852079 0.291510 F\n",
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{
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"created_at": "2022-09-04T14:38:16.215622Z",
"updated_at": "2022-09-04T14:38:16.215642Z",
"structure_string": "Li8 Fe2 O6 F2\n1.0\n5.105455 0.054702 0.038524\n1.823655 4.881993 -0.029359\n1.067228 2.320975 7.461546\nLi Fe O F\n8 2 6 2\ndirect\n0.214105 0.829355 0.273504 Li\n0.751956 0.958056 0.052840 Li\n0.747829 0.485397 0.922035 Li\n0.764622 0.744558 0.492506 Li\n0.235381 0.255440 0.507494 Li\n0.252174 0.514601 0.077964 Li\n0.248047 0.041942 0.947159 Li\n0.785898 0.170643 0.726496 Li\n0.780486 0.404548 0.262586 Fe\n0.219517 0.595450 0.737414 Fe\n0.976504 0.443111 0.685242 O\n0.485104 0.301833 0.889864 O\n0.033350 0.831490 0.876716 O\n0.966653 0.168508 0.123284 O\n0.514899 0.698165 0.110136 O\n0.023499 0.556887 0.314757 O\n0.346866 0.836288 0.497428 F\n0.653137 0.163710 0.502572 F\n",
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{
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"created_at": "2022-09-04T14:38:16.311016Z",
"updated_at": "2022-09-04T14:38:16.311030Z",
"structure_string": "H12 C2 I2 N2\n1.0\n0.000000 5.013888 0.161707\n5.116281 0.000000 0.000000\n0.000000 -0.305702 -8.871762\nH C I N\n12 2 2 2\ndirect\n0.896097 0.250000 0.842252 H\n0.183761 0.925566 0.412581 H\n0.495216 0.750000 0.427007 H\n0.183761 0.574433 0.412581 H\n0.396745 0.585755 0.174706 H\n0.103904 0.750000 0.157747 H\n0.396745 0.914245 0.174706 H\n0.504785 0.250000 0.572992 H\n0.816240 0.425566 0.587418 H\n0.603256 0.085755 0.825294 H\n0.603256 0.414245 0.825294 H\n0.816240 0.074434 0.587418 H\n0.711095 0.250000 0.621982 C\n0.288906 0.750000 0.378017 C\n0.775794 0.250000 0.191061 I\n0.224207 0.750000 0.808939 I\n0.705947 0.250000 0.789291 N\n0.294054 0.750000 0.210708 N\n",
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]
}