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{
"id": "jvasp-9858",
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"structure_string": "Ca4 Al2 Sb2 O10\n1.0\n5.565718 0.000795 0.020078\n-0.000806 5.873850 -0.003983\n-2.181183 -2.932132 7.587959\nCa Al Sb O\n4 2 2 10\ndirect\n0.176574 0.645760 0.252088 Ca\n0.393729 0.894807 0.740197 Ca\n0.893729 0.343272 0.740206 Ca\n0.676578 0.104208 0.252085 Ca\n0.260504 0.303765 0.483932 Al\n0.760504 0.678043 0.483931 Al\n0.537938 0.487432 0.006928 Sb\n0.037945 0.017370 0.006927 Sb\n0.376168 0.284752 0.117226 O\n0.192076 0.640778 0.979040 O\n0.711266 0.950375 0.636545 O\n0.142165 0.052519 0.276110 O\n0.573113 0.435163 0.507807 O\n0.642183 0.721479 0.276110 O\n0.073110 0.570516 0.507803 O\n0.876170 0.330346 0.117212 O\n0.211266 0.184055 0.636549 O\n0.692070 0.836140 0.979030 O\n",
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{
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"updated_at": "2022-09-04T14:38:05.221820Z",
"structure_string": "Ca4 Si4 O12\n1.0\n5.882171 0.000126 -2.072049\n-2.948288 5.089875 -2.071901\n-0.000177 -0.000125 6.236451\nCa Si O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.500000 -0.000000 0.500000 Ca\n-0.000001 0.499999 0.499999 Ca\n0.499999 0.499999 0.499999 Si\n0.500000 0.000000 0.000000 Si\n-0.000000 0.500000 -0.000000 Si\n-0.000001 -0.000000 0.500000 Si\n0.989437 0.739243 0.250195 O\n0.739240 0.489044 0.749803 O\n0.010561 0.260756 0.749804 O\n0.260758 0.510955 0.250196 O\n0.260760 0.010567 0.749807 O\n0.239349 0.760652 -0.000001 O\n0.760653 0.760652 0.521304 O\n0.760651 0.239348 0.000001 O\n0.489046 0.739242 0.749805 O\n0.239345 0.239347 0.478695 O\n0.510952 0.260757 0.250194 O\n0.739238 0.989432 0.250192 O\n",
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{
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"structure_string": "Ca4 Si4 O12\n1.0\n5.879712 0.000000 -2.078793\n-2.939856 5.091980 -2.078793\n0.000000 0.000000 6.236377\nCa Si O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 -0.000000 0.500000 Ca\n-0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.500000 Si\n-0.000000 0.500000 0.000000 Si\n-0.000000 -0.000000 0.500000 Si\n0.500000 -0.000000 0.000000 Si\n0.758676 0.741574 0.500252 O\n0.258426 0.017103 0.758678 O\n0.500251 0.758677 0.741575 O\n0.741573 0.982897 0.241323 O\n0.758677 0.258426 0.017103 O\n0.741574 0.500251 0.758678 O\n0.258425 0.499749 0.241323 O\n0.241323 0.258426 0.499749 O\n0.982897 0.241323 0.741575 O\n0.017102 0.758677 0.258426 O\n0.499748 0.241323 0.258426 O\n0.241322 0.741574 0.982898 O\n",
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"structure_string": "Ca4 Si4 O12\n1.0\n5.091862 -0.000000 0.000000\n0.000000 5.110835 0.000000\n0.000000 0.000000 7.174208\nCa Si O\n4 4 12\ndirect\n0.499248 0.999140 0.250000 Ca\n0.500752 0.000861 0.750000 Ca\n0.999248 0.500862 0.250000 Ca\n0.000752 0.499139 0.750000 Ca\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.248637 0.748637 0.481177 O\n0.251362 0.248636 0.518824 O\n0.499867 0.536716 0.750000 O\n0.751362 0.251364 0.981177 O\n0.500133 0.463284 0.250000 O\n0.251362 0.248636 0.981177 O\n0.751362 0.251364 0.518824 O\n0.999866 0.963285 0.750000 O\n0.748637 0.751365 0.018823 O\n0.748637 0.751365 0.481177 O\n0.000133 0.036716 0.250000 O\n0.248637 0.748637 0.018823 O\n",
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{
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"created_at": "2022-09-04T14:38:15.132745Z",
"updated_at": "2022-09-04T14:38:15.132782Z",
"structure_string": "Ca2 Si2 O6\n1.0\n5.082082 0.000000 0.000000\n0.000000 5.082082 0.000000\n0.000000 0.000000 3.614326\nCa Si O\n2 2 6\ndirect\n0.500000 0.000000 0.500001 Ca\n0.000000 0.500000 0.500001 Ca\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.766089 0.266089 0.000000 O\n0.266089 0.233911 0.000000 O\n0.733911 0.766089 0.000000 O\n0.233911 0.733911 0.000000 O\n0.500000 0.500000 0.500001 O\n0.000000 0.000000 0.500001 O\n",
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{
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"structure_string": "Pt1 S6 N2\n1.0\n-5.506731 -6.403099 -0.608886\n-2.791880 4.835679 -0.000000\n-0.346801 -0.200226 -3.781714\nPt S N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Pt\n0.610820 0.805410 0.421514 S\n0.227253 0.847163 -0.068673 S\n0.227253 0.380091 -0.068673 S\n0.389180 0.194590 0.578486 S\n0.772748 0.152837 0.068674 S\n0.772748 0.619909 0.068674 S\n0.164665 0.582331 0.716368 N\n0.835335 0.417668 0.283632 N\n",
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"structure_string": "Ca2 Si2 O6\n1.0\n4.412638 -0.000000 2.540909\n1.496775 4.168321 2.502676\n0.008617 0.017652 5.087066\nCa Si O\n2 2 6\ndirect\n0.750000 0.749128 0.750873 Ca\n0.250000 0.250871 0.249130 Ca\n0.500000 0.500000 0.500001 Si\n0.000000 0.000000 0.000000 Si\n0.750000 0.213198 0.286802 O\n0.250000 0.786801 0.713200 O\n0.768873 0.731127 0.231128 O\n0.731128 0.268873 0.768874 O\n0.268873 0.731127 0.231128 O\n0.231127 0.268873 0.768874 O\n",
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{
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}