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"id": "jvasp-65302",
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{
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"structure_string": "Ti1 Mn1 O4\n1.0\n5.401709 0.243803 0.000000\n2.583268 4.750224 0.000000\n-3.992489 -2.497014 2.657604\nTi Mn O\n1 1 4\ndirect\n0.750000 0.249999 0.499999 Ti\n0.000000 0.000000 0.000000 Mn\n0.537900 0.037900 0.499999 O\n0.201271 0.201270 -0.000000 O\n0.962100 0.462099 0.499999 O\n0.798731 0.798728 -0.000000 O\n",
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{
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{
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"created_at": "2022-09-04T14:35:49.966853Z",
"updated_at": "2022-09-04T14:35:49.966881Z",
"structure_string": "Ba4 Pd1 Ru1\n1.0\n0.000000 4.723041 4.723041\n4.723041 0.000000 4.723041\n4.723041 4.723041 -0.000000\nBa Pd Ru\n4 1 1\ndirect\n0.124458 0.625181 0.625181 Ba\n0.625181 0.625181 0.625181 Ba\n0.625181 0.124458 0.625181 Ba\n0.625181 0.625181 0.124458 Ba\n0.250000 0.250000 0.250000 Pd\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
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"elements": [
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{
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"created_at": "2022-09-04T14:35:49.968921Z",
"updated_at": "2022-09-04T14:35:49.968948Z",
"structure_string": "Be1 Cd4 In1\n1.0\n-0.000000 4.105372 4.105372\n4.105372 0.000000 4.105372\n4.105372 4.105372 -0.000000\nBe Cd In\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123625 0.625458 0.625458 Cd\n0.625458 0.625458 0.625458 Cd\n0.625458 0.123625 0.625458 Cd\n0.625458 0.625458 0.123625 Cd\n0.250000 0.250000 0.250000 In\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-65060",
"created_at": "2022-09-04T14:35:53.245779Z",
"updated_at": "2022-09-04T14:35:53.245810Z",
"structure_string": "Zr1 Be1 Ge4\n1.0\n-0.000000 3.802987 3.802987\n3.802987 -0.000000 3.802987\n3.802987 3.802987 0.000000\nZr Be Ge\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Be\n0.122513 0.625830 0.625830 Ge\n0.625830 0.625830 0.625830 Ge\n0.625830 0.122513 0.625830 Ge\n0.625830 0.625830 0.122513 Ge\n",
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{
"id": "jvasp-65138",
"created_at": "2022-09-04T14:35:49.982217Z",
"updated_at": "2022-09-04T14:35:49.982243Z",
"structure_string": "Li4 Be1 Si1\n1.0\n0.000000 3.423039 3.423039\n3.423039 -0.000000 3.423039\n3.423039 3.423039 0.000000\nLi Be Si\n4 1 1\ndirect\n0.126244 0.624586 0.624586 Li\n0.624586 0.624586 0.624586 Li\n0.624586 0.126244 0.624586 Li\n0.624586 0.624586 0.126244 Li\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Si\n",
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{
"id": "jvasp-64148",
"created_at": "2022-09-04T14:36:00.238903Z",
"updated_at": "2022-09-04T14:36:00.238940Z",
"structure_string": "Ba4 Sc1 Pb1\n1.0\n0.000000 5.073176 5.073176\n5.073176 0.000000 5.073176\n5.073176 5.073176 0.000000\nBa Sc Pb\n4 1 1\ndirect\n0.127034 0.624322 0.624322 Ba\n0.624322 0.624322 0.624322 Ba\n0.624322 0.127034 0.624322 Ba\n0.624322 0.624322 0.127034 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Pb\n",
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{
"id": "jvasp-66497",
"created_at": "2022-09-04T14:36:00.227738Z",
"updated_at": "2022-09-04T14:36:00.227769Z",
"structure_string": "Ba4 Tc1 Ir1\n1.0\n0.000000 4.682147 4.682147\n4.682147 0.000000 4.682147\n4.682147 4.682147 -0.000000\nBa Tc Ir\n4 1 1\ndirect\n0.126411 0.624530 0.624530 Ba\n0.624530 0.624530 0.624530 Ba\n0.624530 0.126411 0.624530 Ba\n0.624530 0.624530 0.126411 Ba\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Ir\n",
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{
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"created_at": "2022-09-04T14:35:47.589968Z",
"updated_at": "2022-09-04T14:35:47.589990Z",
"structure_string": "Li2 Fe2 F8\n1.0\n4.982286 0.051219 0.382194\n-0.110941 4.628823 0.076296\n-0.430036 -0.102249 5.598038\nLi Fe F\n2 2 8\ndirect\n0.749991 -0.000008 0.649252 Li\n0.250009 0.000008 0.350748 Li\n0.750026 0.499955 0.172501 Fe\n0.249974 0.500044 0.827500 Fe\n0.586080 0.237613 0.380710 F\n0.076185 0.274440 0.111039 F\n0.086059 0.237601 0.619309 F\n0.576145 0.274436 0.888980 F\n0.423855 0.725563 0.111020 F\n0.913941 0.762398 0.380691 F\n0.923815 0.725559 0.888961 F\n0.413920 0.762387 0.619290 F\n",
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{
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"created_at": "2022-09-04T14:35:53.388789Z",
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"structure_string": "Ba4 Sc1 Ga1\n1.0\n-0.000000 5.063743 5.063743\n5.063743 -0.000000 5.063743\n5.063743 5.063743 -0.000000\nBa Sc Ga\n4 1 1\ndirect\n0.126556 0.624481 0.624481 Ba\n0.624481 0.624481 0.624481 Ba\n0.624481 0.126556 0.624481 Ba\n0.624481 0.624481 0.126556 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Ga\n",
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{
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"structure_string": "Ba4 Mg1 P1\n1.0\n-0.000000 4.987623 4.987623\n4.987623 0.000000 4.987623\n4.987623 4.987623 0.000000\nBa Mg P\n4 1 1\ndirect\n0.119746 0.626751 0.626751 Ba\n0.626751 0.626751 0.626751 Ba\n0.626751 0.119746 0.626751 Ba\n0.626751 0.626751 0.119746 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 P\n",
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