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{
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{
"id": "jvasp-29259",
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"structure_string": "Ta12 Br28\n1.0\n9.721299 0.013872 0.000000\n-0.617874 9.701654 -0.000000\n0.000000 -0.000000 11.636146\nTa Br\n12 28\ndirect\n0.546602 0.337296 0.107850 Ta\n0.374084 0.374083 0.911016 Ta\n0.874084 0.874083 0.588984 Ta\n0.625917 0.625916 0.088984 Ta\n0.337296 0.546602 0.107850 Ta\n0.125916 0.125916 0.411016 Ta\n0.046602 0.837295 0.392150 Ta\n0.453398 0.662704 0.892151 Ta\n0.662704 0.453398 0.892151 Ta\n0.837296 0.046602 0.392150 Ta\n0.162705 0.953398 0.607850 Ta\n0.953398 0.162704 0.607850 Ta\n0.719756 0.470091 0.247800 Br\n0.470092 0.719755 0.247800 Br\n0.029908 0.780244 0.747801 Br\n0.219756 0.970091 0.252200 Br\n0.280245 0.529908 0.752200 Br\n0.529908 0.280244 0.752200 Br\n0.970092 0.219755 0.252200 Br\n0.780245 0.029908 0.747801 Br\n0.106720 0.606720 0.250000 Br\n0.743782 0.256217 0.500000 Br\n0.393280 0.893280 0.750000 Br\n0.893280 0.393280 0.750000 Br\n0.606720 0.106720 0.250000 Br\n0.137950 0.388716 0.013473 Br\n0.362050 0.111283 0.513473 Br\n0.888717 0.637949 0.486527 Br\n0.611284 0.862050 0.986527 Br\n0.243783 0.756217 0.000000 Br\n0.862051 0.611283 0.986527 Br\n0.111284 0.362050 0.513473 Br\n0.388717 0.137950 0.013473 Br\n0.358874 0.358874 0.270393 Br\n0.141126 0.141126 0.770393 Br\n0.858874 0.858874 0.229608 Br\n0.641126 0.641126 0.729608 Br\n0.756218 0.243782 0.000000 Br\n0.637950 0.888716 0.486527 Br\n0.256218 0.743782 0.500000 Br\n",
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{
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{
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"created_at": "2022-09-04T14:37:40.610162Z",
"updated_at": "2022-09-04T14:37:40.610181Z",
"structure_string": "Ca4 Ru2 O8\n1.0\n5.282862 0.000000 0.000000\n-0.000000 4.868239 -2.051236\n0.000000 0.008351 6.822381\nCa Ru O\n4 2 8\ndirect\n0.000000 0.346402 0.692803 Ca\n0.500000 0.153598 0.307196 Ca\n0.500000 0.846402 0.692803 Ca\n0.000000 0.653598 0.307196 Ca\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 -0.000000 Ru\n0.500000 0.665815 0.331631 O\n0.000000 0.834185 0.668368 O\n0.500000 0.334185 0.668368 O\n0.000000 0.165815 0.331631 O\n0.682693 0.182686 -0.000000 O\n0.182693 0.317314 -0.000000 O\n0.317306 0.817314 -0.000000 O\n0.817306 0.682686 -0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:37:41.738729Z",
"structure_string": "Li4 Mn4 Ni2 O12\n1.0\n4.983752 0.000000 0.000000\n-2.491877 4.322427 -0.000000\n-0.000000 -0.000000 10.015123\nLi Mn Ni O\n4 4 2 12\ndirect\n0.168251 0.500000 0.250000 Li\n0.831748 0.500000 0.750000 Li\n0.331748 0.500000 0.750000 Li\n0.668251 0.500000 0.250000 Li\n0.162474 0.324949 0.500000 Mn\n0.837525 0.675052 0.500000 Mn\n0.662474 0.324949 0.000000 Mn\n0.337525 0.675052 0.000000 Mn\n0.500000 -0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.995799 0.642056 0.105662 O\n0.004200 0.357944 0.894337 O\n0.345839 -0.000000 0.900141 O\n0.845839 -0.000000 0.599859 O\n0.353744 0.357944 0.105662 O\n0.154161 -0.000000 0.400141 O\n0.853743 0.357944 0.394337 O\n0.504200 0.357944 0.605662 O\n0.654160 -0.000000 0.099859 O\n0.495799 0.642056 0.394337 O\n0.646256 0.642056 0.894337 O\n0.146256 0.642056 0.605662 O\n",
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{
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"updated_at": "2022-09-04T14:37:43.032088Z",
"structure_string": "Cl4\n1.0\n3.747247 -0.162724 0.000000\n-1.364812 3.493655 0.000000\n0.000000 0.000000 8.083979\nCl\n4\ndirect\n0.127891 0.127891 0.107887 Cl\n0.372110 0.372109 0.607887 Cl\n0.627891 0.627890 0.392113 Cl\n0.872110 0.872109 0.892113 Cl\n",
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{
"id": "jvasp-25104",
"created_at": "2022-09-04T14:37:43.168780Z",
"updated_at": "2022-09-04T14:37:43.168790Z",
"structure_string": "Cl4\n1.0\n0.000000 -4.091472 0.000000\n-3.142966 2.045735 -0.000000\n0.000000 -0.000000 -8.088829\nCl\n4\ndirect\n0.872214 0.000000 0.392111 Cl\n0.127786 0.000000 0.607889 Cl\n0.627785 0.000000 0.892111 Cl\n0.372214 0.000000 0.107889 Cl\n",
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{
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"structure_string": "Fe8 Si8 Ge8\n1.0\n6.489720 -0.032877 0.000000\n-1.563642 6.298616 0.000000\n0.000000 -0.000000 8.062280\nFe Si Ge\n8 8 8\ndirect\n0.282406 0.717595 0.500000 Fe\n0.305953 0.305953 0.311748 Fe\n0.717594 0.282405 0.500000 Fe\n0.217595 0.782406 0.000000 Fe\n0.694047 0.694047 0.688252 Fe\n0.805953 0.805953 0.188252 Fe\n0.782406 0.217594 0.000000 Fe\n0.194047 0.194047 0.811748 Fe\n0.413577 0.666660 0.232099 Si\n0.913577 0.166660 0.267901 Si\n0.333340 0.586424 0.767901 Si\n0.086424 0.833341 0.732099 Si\n0.586423 0.333340 0.767901 Si\n0.166660 0.913577 0.267901 Si\n0.666660 0.413577 0.232099 Si\n0.833340 0.086423 0.732099 Si\n0.401723 0.146690 0.048405 Ge\n0.598277 0.853310 0.951595 Ge\n0.646691 0.901723 0.451595 Ge\n0.353310 0.098277 0.548405 Ge\n0.146691 0.401723 0.048405 Ge\n0.901723 0.646690 0.451595 Ge\n0.098277 0.353310 0.548405 Ge\n0.853310 0.598277 0.951595 Ge\n",
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{
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"structure_string": "I4\n1.0\n4.346376 -0.102922 0.000000\n-1.833313 3.942149 0.000000\n0.000000 0.000000 9.731427\nI\n4\ndirect\n0.167973 0.167972 0.121776 I\n0.332028 0.332028 0.621776 I\n0.667974 0.667973 0.378224 I\n0.832029 0.832028 0.878224 I\n",
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{
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"structure_string": "As4\n1.0\n3.542312 -0.000000 -1.175403\n0.000000 4.607788 -0.000000\n-0.006730 0.000000 5.905146\nAs\n4\ndirect\n0.890932 0.934497 0.781866 As\n0.109068 0.065504 0.218135 As\n0.609068 0.434497 0.218136 As\n0.390932 0.565504 0.781865 As\n",
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{
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"structure_string": "Br4\n1.0\n4.000173 -0.182361 0.000000\n-1.638514 3.653753 0.000000\n0.000000 0.000000 8.630024\nBr\n4\ndirect\n0.151190 0.151190 0.118322 Br\n0.348810 0.348810 0.618322 Br\n0.651190 0.651190 0.381678 Br\n0.848810 0.848810 0.881678 Br\n",
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{
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"structure_string": "Ba8 Ru6 O20\n1.0\n5.789395 0.000000 0.000000\n-2.894698 6.731710 -0.000000\n0.000000 0.000000 13.091076\nBa Ru O\n8 6 20\ndirect\n0.239935 0.479870 0.888272 Ba\n0.038769 0.077538 0.638344 Ba\n0.961232 0.922462 0.361656 Ba\n0.461231 0.922462 0.138344 Ba\n0.760065 0.520130 0.111728 Ba\n0.739935 0.479870 0.611729 Ba\n0.260065 0.520130 0.388272 Ba\n0.538769 0.077538 0.861657 Ba\n0.000000 0.000000 0.000000 Ru\n0.877512 0.755023 0.848916 Ru\n0.122488 0.244977 0.151084 Ru\n0.622488 0.244977 0.348916 Ru\n0.377512 0.755023 0.651085 Ru\n0.500000 0.000000 0.500000 Ru\n0.628601 0.757200 0.750000 O\n0.963239 0.926477 0.152336 O\n0.036761 0.073523 0.847664 O\n0.231925 0.463849 0.647477 O\n0.128600 0.757200 0.750000 O\n0.463239 0.926477 0.347664 O\n0.536762 0.073523 0.652336 O\n0.119006 0.780866 0.965458 O\n0.338140 0.219134 0.034542 O\n0.380994 0.219134 0.465458 O\n0.161860 0.780866 0.534542 O\n0.880995 0.219134 0.034542 O\n0.661861 0.780866 0.965458 O\n0.619006 0.780866 0.534542 O\n0.838140 0.219134 0.465458 O\n0.731926 0.463849 0.852524 O\n0.268075 0.536151 0.147476 O\n0.768075 0.536151 0.352524 O\n0.371400 0.242800 0.250000 O\n0.871400 0.242800 0.250000 O\n",
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{
"id": "jvasp-42521",
"created_at": "2022-09-04T14:37:50.883800Z",
"updated_at": "2022-09-04T14:37:50.883819Z",
"structure_string": "Li4 Ti4 Ni2 O12\n1.0\n5.130907 -0.037658 -0.000000\n-2.611021 4.417032 0.000000\n0.000000 -0.000000 10.253982\nLi Ti Ni O\n4 4 2 12\ndirect\n0.165513 0.665512 0.750000 Li\n0.334488 0.834487 0.250000 Li\n0.665513 0.165512 0.750000 Li\n0.834488 0.334487 0.250000 Li\n0.160180 0.839819 0.500000 Ti\n0.339820 0.660180 0.000000 Ti\n0.660181 0.339819 0.000000 Ti\n0.839820 0.160180 0.500000 Ti\n0.000000 0.000000 0.000000 Ni\n0.500000 0.499999 0.500000 Ni\n0.504904 0.142431 0.391062 O\n0.844786 0.844785 0.398445 O\n0.357569 0.995095 0.891062 O\n0.655214 0.655213 0.898444 O\n0.344786 0.344786 0.101555 O\n0.004904 0.642431 0.108937 O\n0.495096 0.857568 0.608937 O\n0.142431 0.504904 0.391062 O\n0.995096 0.357568 0.891062 O\n0.857569 0.495095 0.608937 O\n0.155214 0.155214 0.601555 O\n0.642431 0.004904 0.108937 O\n",
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}