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{
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{
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{
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{
"id": "jvasp-29555",
"created_at": "2022-09-04T14:37:12.054915Z",
"updated_at": "2022-09-04T14:37:12.054945Z",
"structure_string": "Ti6 Cl18\n1.0\n5.961712 0.000000 -0.000000\n-2.980857 5.162994 0.000000\n0.000000 0.000000 17.552017\nTi Cl\n6 18\ndirect\n-0.000000 -0.000000 0.166943 Ti\n-0.000000 -0.000000 0.833058 Ti\n0.666666 0.333333 0.500000 Ti\n0.333332 0.666666 0.832996 Ti\n0.333332 0.666666 0.500000 Ti\n0.333332 0.666666 0.167004 Ti\n0.007312 0.673907 0.086787 Cl\n0.008184 0.675083 0.752681 Cl\n0.324916 0.991815 0.247320 Cl\n0.666593 0.673907 0.913213 Cl\n0.341525 0.000162 0.580309 Cl\n0.324917 0.333100 0.752681 Cl\n0.007312 0.333405 0.913213 Cl\n0.666898 0.675083 0.247320 Cl\n-0.000162 0.341363 0.580309 Cl\n0.658636 0.658474 0.580309 Cl\n0.666594 -0.007313 0.086787 Cl\n0.326093 -0.007313 0.913213 Cl\n0.008184 0.333100 0.247320 Cl\n0.341525 0.341363 0.419692 Cl\n0.666898 0.991815 0.752681 Cl\n0.658636 0.000162 0.419692 Cl\n-0.000163 0.658474 0.419692 Cl\n0.326093 0.333405 0.086787 Cl\n",
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{
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"created_at": "2022-09-04T14:36:46.760905Z",
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"structure_string": "Ti6 Cl18\n1.0\n6.000012 0.000000 -0.000000\n-3.000005 5.196162 0.000000\n-0.000000 0.000000 17.637124\nTi Cl\n6 18\ndirect\n0.106992 0.893006 0.333333 Ti\n0.782065 0.217935 0.333333 Ti\n0.782064 0.564130 0.666667 Ti\n0.106993 0.213986 0.666667 Ti\n0.786012 0.893006 0.000000 Ti\n0.435870 0.217935 0.000000 Ti\n0.100907 0.554957 0.254217 Cl\n0.787404 0.231348 0.587945 Cl\n0.454048 0.899092 0.920883 Cl\n0.103934 0.888784 0.585740 Cl\n0.787404 0.556055 0.412055 Cl\n0.768651 0.212596 0.078722 Cl\n0.443945 0.231348 0.745388 Cl\n0.111215 0.896065 0.080927 Cl\n0.103934 0.215150 0.414260 Cl\n0.445042 0.899092 0.412450 Cl\n0.768651 0.556055 0.921277 Cl\n0.784848 0.888784 0.747593 Cl\n0.100907 0.545951 0.745783 Cl\n0.445042 0.545951 0.587550 Cl\n0.111216 0.215150 0.919073 Cl\n0.784848 0.896065 0.252407 Cl\n0.454048 0.554957 0.079117 Cl\n0.443945 0.212596 0.254612 Cl\n",
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{
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"structure_string": "Ti6 Cl18\n1.0\n6.019427 0.000000 0.080532\n3.009713 5.183051 0.040265\n-0.144477 0.000000 17.616810\nTi Cl\n6 18\ndirect\n0.328801 0.677642 0.333278 Ti\n0.671198 0.322358 0.666722 Ti\n0.338822 0.322356 0.000000 Ti\n0.993555 0.677642 0.666722 Ti\n0.661178 0.677644 0.000000 Ti\n0.006445 0.322358 0.333278 Ti\n0.999718 0.342260 0.078413 Cl\n0.667308 0.342261 0.411693 Cl\n0.325668 0.342249 0.254864 Cl\n0.011379 -0.000000 0.251006 Cl\n0.000281 0.657740 0.921587 Cl\n0.341978 0.657740 0.078413 Cl\n0.332691 0.657739 0.588307 Cl\n0.009569 0.657739 0.411693 Cl\n0.343707 -0.000000 0.917744 Cl\n0.990431 0.342261 0.588307 Cl\n0.656292 -0.000000 0.082256 Cl\n0.323832 -0.000000 0.415555 Cl\n0.676168 -0.000000 0.584445 Cl\n0.988621 -0.000000 0.748994 Cl\n0.674331 0.657750 0.745137 Cl\n0.658021 0.342260 0.921587 Cl\n0.332081 0.342249 0.745137 Cl\n0.667919 0.657750 0.254864 Cl\n",
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{
"id": "jvasp-18485",
"created_at": "2022-09-04T14:36:50.377536Z",
"updated_at": "2022-09-04T14:36:50.377555Z",
"structure_string": "Ti1 Cl2\n1.0\n1.652805 -2.862742 -0.000000\n1.652805 2.862742 0.000000\n-0.000000 0.000000 6.233617\nTi Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666668 0.333335 0.253818 Cl\n0.333335 0.666668 0.746182 Cl\n",
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{
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"structure_string": "Ti1 Cl2\n1.0\n1.652818 -2.862765 0.000000\n1.652818 2.862765 -0.000000\n0.000000 0.000000 6.233385\nTi Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666667 0.333334 0.253824 Cl\n0.333334 0.666667 0.746177 Cl\n",
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{
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"updated_at": "2022-09-04T14:37:18.337528Z",
"structure_string": "Ti1 Cd1 Rh2\n1.0\n-10.866987 2.147798 -2.766718\n-7.657841 1.157757 0.511059\n-6.779777 3.641300 -1.009793\nTi Cd Rh\n1 1 2\ndirect\n1.000000 -0.000001 0.000000 Ti\n0.500000 -0.000000 0.000000 Cd\n0.688511 0.042348 0.042348 Rh\n0.311490 -0.042348 -0.042348 Rh\n",
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{
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{
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"structure_string": "Ti4 Cd4 O12\n1.0\n5.352865 0.000000 0.000000\n-0.000000 5.466622 0.000000\n0.000000 0.000000 7.694206\nTi Cd O\n4 4 12\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.008359 0.961077 0.750000 Cd\n0.508360 0.538922 0.250000 Cd\n0.491641 0.461077 0.750000 Cd\n0.991641 0.038922 0.250000 Cd\n0.590655 0.028721 0.750000 O\n0.090655 0.471278 0.250000 O\n0.700187 0.296943 0.047392 O\n0.200187 0.203057 0.952608 O\n0.799814 0.796942 0.452608 O\n0.200187 0.203057 0.547392 O\n0.299814 0.703057 0.952608 O\n0.799814 0.796942 0.047392 O\n0.409346 0.971278 0.250000 O\n0.700187 0.296943 0.452608 O\n0.299814 0.703057 0.547392 O\n0.909346 0.528721 0.750000 O\n",
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}