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{
"id": "jvasp-55721",
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"structure_string": "K3 B12 H12 I1\n1.0\n6.893244 0.002630 -0.467930\n-0.500949 6.875017 -0.467930\n0.002445 0.002630 6.909107\nK B H I\n3 12 12 1\ndirect\n0.499999 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n-0.000000 0.500000 0.500000 K\n0.161347 0.876120 0.876120 B\n0.123880 0.838652 0.123880 B\n0.123879 0.123880 0.838652 B\n0.937744 0.761926 0.937745 B\n0.937744 0.937745 0.761926 B\n0.761924 0.937745 0.937745 B\n0.238074 0.062255 0.062255 B\n0.062255 0.238075 0.062255 B\n0.062255 0.062255 0.238075 B\n0.876119 0.876120 0.161348 B\n0.838652 0.123880 0.123880 B\n0.876119 0.161348 0.876120 B\n0.786437 0.786438 0.274312 H\n0.213562 0.213562 0.725688 H\n0.106876 0.407077 0.106876 H\n0.106876 0.106876 0.407077 H\n0.407077 0.106876 0.106876 H\n0.592922 0.893124 0.893124 H\n0.893123 0.592923 0.893124 H\n0.893123 0.893124 0.592923 H\n0.725688 0.213562 0.213562 H\n0.274311 0.786438 0.786438 H\n0.786437 0.274312 0.786438 H\n0.213562 0.725688 0.213562 H\n0.499999 0.500000 0.500000 I\n",
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{
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{
"id": "jvasp-119472",
"created_at": "2022-09-04T14:38:33.806370Z",
"updated_at": "2022-09-04T14:38:33.806400Z",
"structure_string": "Ba2 Zn4 Cu4 As6\n1.0\n6.683574 0.013213 0.000000\n-5.361798 3.990170 0.000000\n-0.000000 -0.000000 12.245006\nBa Zn Cu As\n2 4 4 6\ndirect\n0.178760 0.821239 0.250000 Ba\n0.821238 0.178760 0.750000 Ba\n0.831691 0.168307 0.057381 Zn\n0.168307 0.831692 0.942619 Zn\n0.168307 0.831692 0.557382 Zn\n0.831691 0.168307 0.442619 Zn\n0.454907 0.545091 0.145109 Cu\n0.545091 0.454908 0.854891 Cu\n0.545091 0.454908 0.645109 Cu\n0.454907 0.545091 0.354891 Cu\n0.623435 0.376564 0.046072 As\n0.376564 0.623435 0.953929 As\n0.376564 0.623435 0.546072 As\n0.623435 0.376564 0.453928 As\n0.905362 0.094636 0.250000 As\n0.094637 0.905363 0.750000 As\n",
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{
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"created_at": "2022-09-04T14:38:03.207685Z",
"updated_at": "2022-09-04T14:38:03.207737Z",
"structure_string": "K2 Ge2 Br6\n1.0\n0.000000 5.889662 0.185330\n7.498218 0.000000 0.000000\n0.000000 -3.184281 -7.513878\nK Ge Br\n2 2 6\ndirect\n0.139124 0.750000 0.816366 K\n0.860876 0.250000 0.183635 K\n0.443393 0.750000 0.408347 Ge\n0.556607 0.250000 0.591653 Ge\n0.360410 0.007247 0.184471 Br\n0.639590 0.507247 0.815529 Br\n0.000097 0.250000 0.617993 Br\n-0.000097 0.750000 0.382007 Br\n0.639590 0.992754 0.815529 Br\n0.360410 0.492753 0.184471 Br\n",
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{
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"created_at": "2022-09-04T14:35:52.126431Z",
"updated_at": "2022-09-04T14:35:52.126452Z",
"structure_string": "Ba4 Tl2 Cu2 Hg1 O10\n1.0\n3.877537 -0.000000 -0.353030\n-0.032141 3.877404 -0.353030\n0.026976 0.027200 21.767455\nBa Tl Cu Hg O\n4 2 2 1 10\ndirect\n0.341826 0.341825 0.683650 Ba\n0.568382 0.568380 0.136762 Ba\n0.431621 0.431619 0.863238 Ba\n0.658176 0.658174 0.316350 Ba\n0.223567 0.223566 0.447133 Tl\n0.776435 0.776433 0.552868 Tl\n0.113623 0.113622 0.227245 Cu\n0.886380 0.886377 0.772756 Cu\n0.000000 0.000000 0.000000 Hg\n0.272100 0.272099 0.544199 O\n0.387271 0.887269 0.774540 O\n0.112731 0.612730 0.225460 O\n0.823811 0.823809 0.647619 O\n0.887272 0.387270 0.774540 O\n0.727902 0.727900 0.455801 O\n0.953316 0.953313 0.906628 O\n0.176191 0.176190 0.352381 O\n0.046686 0.046686 0.093372 O\n0.612731 0.112730 0.225460 O\n",
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{
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"structure_string": "Ce4 Mg4 Si8\n1.0\n4.170242 -0.000000 -0.479741\n-0.055189 4.169877 -0.479741\n0.051418 0.052103 18.812190\nCe Mg Si\n4 4 8\ndirect\n0.703124 0.953125 0.906249 Ce\n0.453125 0.203125 0.406249 Ce\n0.296875 0.046875 0.093751 Ce\n0.546875 0.796875 0.593751 Ce\n0.624906 0.374905 0.749811 Mg\n0.375094 0.625095 0.250189 Mg\n0.125094 0.875094 0.750189 Mg\n0.874905 0.124906 0.249811 Mg\n0.076911 0.326911 0.653821 Si\n0.173089 0.423088 0.846179 Si\n0.826911 0.576911 0.153821 Si\n0.923088 0.673089 0.346179 Si\n0.014312 0.264312 0.528623 Si\n0.764311 0.514312 0.028623 Si\n0.985688 0.735688 0.471377 Si\n0.235688 0.485688 0.971377 Si\n",
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{
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"created_at": "2022-09-04T14:36:06.746306Z",
"updated_at": "2022-09-04T14:36:06.746329Z",
"structure_string": "W4 O4 F16\n1.0\n5.043740 -0.024561 -0.280735\n-0.638604 7.735229 -3.194133\n-0.031304 0.004805 8.393036\nW O F\n4 4 16\ndirect\n0.238407 0.754961 0.754962 W\n0.761594 0.245038 0.245038 W\n0.000001 0.807445 0.192556 W\n1.000001 0.192555 0.807444 W\n0.879017 0.025761 0.219127 O\n0.120985 0.780872 0.974240 O\n0.120985 0.974239 0.780873 O\n0.879017 0.219127 0.025761 O\n0.330627 0.915688 0.306388 F\n0.090041 0.357354 0.357355 F\n0.575343 0.862555 0.862556 F\n0.122809 0.171413 0.594528 F\n0.639230 0.458181 0.269274 F\n0.360771 0.541819 0.730726 F\n0.424658 0.137445 0.137444 F\n0.877192 0.405471 0.828587 F\n0.877192 0.828587 0.405472 F\n0.122809 0.594528 0.171413 F\n0.330627 0.306387 0.915688 F\n0.669375 0.084312 0.693612 F\n0.909960 0.642645 0.642646 F\n0.639230 0.269274 0.458181 F\n0.360771 0.730726 0.541819 F\n0.669375 0.693613 0.084312 F\n",
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{
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"created_at": "2022-09-04T14:35:57.242227Z",
"updated_at": "2022-09-04T14:35:57.242252Z",
"structure_string": "Al4 B4 Pb4 O16\n1.0\n5.798416 -0.000000 0.000000\n0.000000 6.857548 0.000000\n0.000000 0.000000 8.231830\nAl B Pb O\n4 4 4 16\ndirect\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.750001 0.728015 0.242709 B\n0.750001 0.228015 0.257291 B\n0.250000 0.771986 0.742709 B\n0.250000 0.271985 0.757291 B\n0.750001 0.451567 0.859880 Pb\n0.750001 0.951567 0.640120 Pb\n0.250000 0.548434 0.140120 Pb\n0.250000 0.048433 0.359880 Pb\n0.750001 0.829555 0.097019 O\n0.543926 0.674604 0.316023 O\n0.750001 0.603764 0.607207 O\n0.250000 0.670446 0.597019 O\n0.043925 0.825397 0.816023 O\n0.543926 0.174603 0.183977 O\n0.250000 0.170446 0.902981 O\n0.956075 0.674604 0.316023 O\n0.250000 0.896236 0.107207 O\n0.043925 0.325397 0.683977 O\n0.750001 0.103764 0.892793 O\n0.456075 0.325397 0.683977 O\n0.250000 0.396236 0.392793 O\n0.956075 0.174603 0.183977 O\n0.750001 0.329554 0.402981 O\n0.456075 0.825397 0.816023 O\n",
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{
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"structure_string": "Dy6 Fe16 O1\n1.0\n7.089568 -0.000000 -2.506542\n-3.544784 6.139745 -2.506542\n0.000000 0.000000 7.519623\nDy Fe O\n6 16 1\ndirect\n0.000000 0.275318 0.275318 Dy\n0.275318 -0.000000 0.275318 Dy\n0.724683 -0.000000 0.724682 Dy\n0.724683 0.724683 0.000001 Dy\n0.275318 0.275318 0.000000 Dy\n0.000001 0.724683 0.724683 Dy\n0.333574 0.667146 0.333573 Fe\n0.333574 0.666428 0.000001 Fe\n0.333573 -0.000000 0.666427 Fe\n0.333573 0.333573 0.667146 Fe\n0.000000 0.333573 0.666427 Fe\n0.000001 0.666428 0.333573 Fe\n0.666428 0.333573 0.000000 Fe\n0.666427 -0.000000 0.333573 Fe\n0.666428 0.332854 0.666427 Fe\n0.667146 0.333573 0.333573 Fe\n0.332855 0.666428 0.666427 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500001 0.500000 0.500000 Fe\n0.666428 0.666428 0.332855 Fe\n0.000000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:35:45.264196Z",
"updated_at": "2022-09-04T14:35:45.264218Z",
"structure_string": "Rb2 Al1 Hg1 Br6\n1.0\n6.699113 -0.000000 3.867735\n2.233038 6.315985 3.867735\n-0.000000 -0.000000 7.735469\nRb Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Hg\n0.769009 0.230991 0.230992 Br\n0.230991 0.230991 0.769010 Br\n0.230991 0.769009 0.769010 Br\n0.230991 0.769009 0.230991 Br\n0.769009 0.230991 0.769010 Br\n0.769009 0.769009 0.230992 Br\n",
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{
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"created_at": "2022-09-04T14:35:46.604646Z",
"updated_at": "2022-09-04T14:35:46.604680Z",
"structure_string": "Si8 O16\n1.0\n7.272481 -0.154272 -2.072564\n-4.178878 5.953969 -2.072564\n0.082290 0.154272 7.561595\nSi O\n8 16\ndirect\n0.478300 0.133539 0.227379 Si\n0.906161 0.250921 0.772623 Si\n0.133539 0.478300 0.227379 Si\n0.866461 0.093839 0.344761 Si\n0.749079 0.521700 0.655241 Si\n0.250921 0.906161 0.772623 Si\n0.093839 0.866461 0.344761 Si\n0.521700 0.749079 0.655240 Si\n0.645964 0.394963 0.404214 O\n0.251085 -0.000000 0.251085 O\n0.394963 0.645964 0.404213 O\n0.009249 0.605037 0.251001 O\n0.748915 -0.000000 0.748916 O\n0.758248 0.354036 0.749000 O\n0.590743 0.590743 0.713916 O\n-0.000000 0.748915 0.748915 O\n0.990750 0.241752 0.595788 O\n0.409257 0.123172 0.000000 O\n0.876828 0.876828 0.286086 O\n0.605037 0.009250 0.251002 O\n0.123172 0.409257 0.000000 O\n-0.000000 0.251085 0.251085 O\n0.241751 0.990750 0.595788 O\n0.354036 0.758248 0.749000 O\n",
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{
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"created_at": "2022-09-04T14:38:27.174393Z",
"updated_at": "2022-09-04T14:38:27.174420Z",
"structure_string": "Cd3 In2 Se6\n1.0\n6.599060 0.023593 4.767432\n2.450042 6.127433 4.767432\n0.034710 0.023593 8.140934\nCd In Se\n3 2 6\ndirect\n0.163587 0.470578 0.861805 Cd\n0.470578 0.861804 0.163587 Cd\n0.861806 0.163586 0.470578 Cd\n0.667431 0.667429 0.667430 In\n-0.000378 -0.000378 -0.000378 In\n0.059204 0.369030 0.682947 Se\n0.369031 0.682947 0.059204 Se\n0.682948 0.059204 0.369031 Se\n0.872589 0.872587 0.872588 Se\n0.228061 0.228061 0.228061 Se\n0.540132 0.540130 0.540131 Se\n",
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]
}