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{
"id": "jvasp-116352",
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"structure_string": "Na2 Ge2\n1.0\n3.941680 0.157888 0.539422\n0.161002 -4.637076 0.179772\n0.666597 2.114058 -5.390514\nNa Ge\n2 2\ndirect\n0.198789 0.161154 0.850063 Na\n0.697929 0.449956 0.430462 Na\n0.197959 0.875601 0.278544 Ge\n0.698840 0.735554 0.002041 Ge\n",
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"structure_string": "Ba1 Al2 Si2 O8\n1.0\n2.670695 -4.625780 0.000000\n2.670695 4.625780 0.000000\n0.000000 0.000000 7.867749\nBa Al Si O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.705851 Al\n0.333334 0.666668 0.294150 Al\n0.666668 0.333334 0.283509 Si\n0.333334 0.666668 0.716491 Si\n0.666668 0.333334 0.487278 O\n0.333334 0.666668 0.512722 O\n0.563938 0.988817 0.793529 O\n0.424879 0.436064 0.793529 O\n0.011185 0.575122 0.793529 O\n0.436064 0.011185 0.206471 O\n0.575123 0.563938 0.206471 O\n0.988816 0.424880 0.206471 O\n",
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{
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"updated_at": "2022-09-04T14:35:51.636731Z",
"structure_string": "Zr2 Cl6\n1.0\n10.896247 -0.165392 -0.180132\n5.399403 3.021089 -0.058169\n3.543892 0.007560 5.993158\nZr Cl\n2 6\ndirect\n0.355770 0.932069 -0.000566 Zr\n0.644229 0.067932 0.000567 Zr\n0.076345 0.346129 0.765024 Cl\n0.247222 0.660034 0.273434 Cl\n0.425000 0.308250 0.762799 Cl\n0.574999 0.691751 0.237202 Cl\n0.752777 0.339967 0.726566 Cl\n0.923654 0.653872 0.234977 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:04.714696Z",
"structure_string": "Li4 Mn2 F12\n1.0\n0.000000 4.976863 0.026573\n5.174089 0.000000 0.000000\n0.000000 -5.009419 -7.377722\nLi Mn F\n4 2 12\ndirect\n0.492855 0.238450 0.495693 Li\n0.740469 0.310750 0.231702 Li\n0.492855 0.761550 -0.004307 Li\n0.740469 0.689250 0.731702 Li\n0.998423 0.242584 0.001091 Mn\n0.998423 0.757416 0.501091 Mn\n0.252555 0.570920 0.453397 F\n0.751000 0.069196 0.062043 F\n0.080027 0.062920 0.428586 F\n0.367684 0.801571 0.733954 F\n0.655358 0.689880 0.268936 F\n0.751000 0.930804 0.562043 F\n0.252555 0.429081 0.953397 F\n0.892885 0.531571 0.074015 F\n0.080026 0.937080 0.928585 F\n0.367684 0.198430 0.233954 F\n0.892885 0.468430 0.574015 F\n0.655358 0.310121 0.768936 F\n",
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{
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"updated_at": "2022-09-04T14:37:31.514710Z",
"structure_string": "Mo6 Cl24\n1.0\n12.152366 -0.000000 0.000000\n-6.076183 10.524257 -0.000000\n-0.000000 0.000000 5.773871\nMo Cl\n6 24\ndirect\n0.825581 0.651161 0.000000 Mo\n0.174420 0.825580 0.000000 Mo\n0.174420 0.348840 0.000000 Mo\n0.825581 0.174420 0.000000 Mo\n0.348840 0.174420 0.000000 Mo\n0.651161 0.825580 0.000000 Mo\n0.322204 0.830885 0.753622 Cl\n0.171050 0.171050 0.224892 Cl\n0.322204 0.491319 0.246378 Cl\n0.668081 0.000000 0.760595 Cl\n0.491319 0.322204 0.246378 Cl\n0.828950 0.828950 0.775108 Cl\n0.677797 0.169116 0.246378 Cl\n0.508681 0.830885 0.246378 Cl\n0.677797 0.508681 0.753622 Cl\n0.508681 0.677797 0.753622 Cl\n0.331920 0.331919 0.760595 Cl\n0.491319 0.169116 0.753622 Cl\n0.169116 0.677797 0.246378 Cl\n0.828950 0.000000 0.224892 Cl\n0.000000 0.171050 0.775108 Cl\n0.000000 0.828950 0.224892 Cl\n0.668081 0.668081 0.239405 Cl\n0.830885 0.508681 0.246378 Cl\n0.171050 0.000000 0.775108 Cl\n0.830885 0.322204 0.753622 Cl\n0.000000 0.668081 0.760595 Cl\n0.169116 0.491319 0.753622 Cl\n0.331919 0.000000 0.239405 Cl\n0.000000 0.331919 0.239405 Cl\n",
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{
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"created_at": "2022-09-04T14:36:19.546121Z",
"updated_at": "2022-09-04T14:36:19.546141Z",
"structure_string": "Be2 Fe1 Cl1\n1.0\n2.796641 0.000000 0.000000\n0.000000 2.796641 0.000000\n0.000000 0.000000 7.235604\nBe Fe Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000713 Be\n0.500000 0.500000 0.128234 Be\n0.500000 0.500000 0.791417 Fe\n0.000000 0.000000 0.579635 Cl\n",
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{
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"created_at": "2022-09-04T14:36:06.333293Z",
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"structure_string": "K8 Hg4 Cl16\n1.0\n7.826923 -0.000000 0.000000\n-0.000000 9.539849 0.000000\n0.000000 0.000000 11.663464\nK Hg Cl\n8 4 16\ndirect\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.500000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.249580 0.250000 0.734876 Hg\n0.750420 0.750000 0.265123 Hg\n0.749580 0.750000 0.765123 Hg\n0.250420 0.250000 0.234876 Hg\n0.249960 0.750000 0.474624 Cl\n0.250418 0.001500 0.234285 Cl\n0.750039 0.250000 0.525376 Cl\n0.749958 0.750000 0.517879 Cl\n0.249582 0.001500 0.734285 Cl\n0.750418 -0.001500 0.265714 Cl\n0.249958 0.250000 0.982120 Cl\n0.749960 0.250000 0.025376 Cl\n0.249582 0.498500 0.734285 Cl\n0.250039 0.750000 0.974624 Cl\n0.750041 0.750000 0.017879 Cl\n0.749581 -0.001500 0.765714 Cl\n0.749581 0.501500 0.765714 Cl\n0.750418 0.501500 0.265714 Cl\n0.250418 0.498500 0.234285 Cl\n0.250041 0.250000 0.482120 Cl\n",
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{
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"structure_string": "Rb2 Cd1 Cl4\n1.0\n4.983705 0.000000 -1.527821\n-0.468374 4.961648 -1.527821\n0.001962 0.002156 8.898662\nRb Cd Cl\n2 1 4\ndirect\n0.360655 0.360655 0.721310 Rb\n0.639347 0.639346 0.278691 Rb\n0.000000 0.000000 0.000000 Cd\n0.500000 -0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n0.162018 0.162018 0.324035 Cl\n0.837984 0.837983 0.675965 Cl\n",
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{
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"structure_string": "Na1 Te1 H6 O6 F1\n1.0\n3.002931 1.733743 4.500733\n-3.002931 1.733743 4.500733\n0.000000 -3.467486 4.500733\nNa Te H O F\n1 1 6 6 1\ndirect\n0.374151 0.374151 0.374153 Na\n0.003778 0.003778 0.003778 Te\n0.952225 0.015497 0.462649 H\n0.015497 0.462647 0.952227 H\n0.462648 0.952226 0.015498 H\n0.322776 0.802181 0.610767 H\n0.802181 0.610765 0.322778 H\n0.610765 0.322776 0.802183 H\n0.820303 0.060101 0.364392 O\n0.060101 0.364391 0.820305 O\n0.364391 0.820304 0.060102 O\n0.157404 0.977304 0.629115 O\n0.977304 0.629114 0.157405 O\n0.629114 0.157404 0.977306 O\n0.554448 0.554448 0.554450 F\n",
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"structure_string": "Rb2 Cl2 O4\n1.0\n4.533258 0.012875 0.000056\n-0.041016 4.533186 0.000056\n0.000096 0.000095 7.702632\nRb Cl O\n2 2 4\ndirect\n0.000001 -0.000000 -0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.469854 0.530155 0.750002 Cl\n0.530152 0.469851 0.249999 Cl\n0.876137 0.526773 0.250003 O\n0.526767 0.876139 0.750003 O\n0.473232 0.123860 0.249998 O\n0.123860 0.473230 0.749997 O\n",
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{
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"structure_string": "Li2 Cr2 P2 O8\n1.0\n5.137466 0.117647 0.628830\n2.577566 4.211218 0.335613\n0.828927 0.040749 7.569978\nLi Cr P O\n2 2 2 8\ndirect\n0.342552 0.315678 0.834727 Li\n0.661514 0.667211 0.313214 Li\n0.046857 -0.039859 0.533113 Cr\n-0.017034 -0.024772 -0.020719 Cr\n0.298868 0.368322 0.239716 P\n0.681839 0.659794 0.727773 P\n0.767052 0.297890 0.763312 O\n0.064638 0.281182 0.351488 O\n0.173625 0.524848 0.062514 O\n0.627489 0.062568 0.186282 O\n-0.008238 0.649703 0.718422 O\n0.428206 0.879186 0.886115 O\n0.549596 0.798580 0.556747 O\n0.314476 0.609326 0.339795 O\n",
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}