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{
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"structure_string": "C8 O8\n1.0\n6.891383 -0.092563 0.415311\n0.385444 6.881219 0.415311\n-0.099219 -0.092563 6.903174\nC O\n8 8\ndirect\n0.531734 0.531735 0.531734 C\n0.731914 0.036978 0.542484 C\n0.036977 0.542485 0.731915 C\n0.542484 0.731915 0.036978 C\n0.031735 0.031735 0.031735 C\n0.231915 0.042485 0.536977 C\n0.536977 0.231915 0.042484 C\n0.042484 0.536978 0.231915 C\n0.424966 0.302789 0.942376 O\n0.942376 0.424968 0.302789 O\n0.442376 0.802790 0.924966 O\n0.440554 0.440555 0.440554 O\n0.302788 0.942377 0.424967 O\n0.924966 0.442377 0.802788 O\n0.802788 0.924968 0.442376 O\n0.940553 0.940555 0.940554 O\n",
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"structure_string": "Ga1 Fe2\n1.0\n2.765153 0.000000 0.000000\n-1.382576 2.394693 0.000000\n0.000000 0.000000 5.842637\nGa Fe\n1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.333332 0.666666 0.652201 Fe\n0.666665 0.333333 0.347799 Fe\n",
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{
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"structure_string": "Mo12 Br24\n1.0\n9.435575 0.060072 0.000000\n-2.045082 9.211478 0.000000\n0.000000 0.000000 11.864562\nMo Br\n12 24\ndirect\n0.127314 0.872686 0.000000 Mo\n0.065582 0.065582 0.857031 Mo\n0.434417 0.434418 0.357031 Mo\n0.934417 0.934418 0.142969 Mo\n0.856855 0.856855 0.934681 Mo\n0.565582 0.565582 0.642968 Mo\n0.356855 0.356855 0.565319 Mo\n0.143145 0.143145 0.065319 Mo\n0.627313 0.372686 0.500000 Mo\n0.872686 0.127314 0.000000 Mo\n0.643144 0.643145 0.434681 Mo\n0.372686 0.627314 0.500000 Mo\n0.547936 0.296171 0.707880 Br\n0.918640 0.665539 0.077841 Br\n0.581360 0.834461 0.577841 Br\n0.165539 0.418640 0.422159 Br\n0.334461 0.081360 0.922159 Br\n0.952063 0.203828 0.207880 Br\n0.646100 0.646101 0.853849 Br\n0.047937 0.796172 0.792119 Br\n0.853899 0.853899 0.353849 Br\n0.146101 0.146101 0.646151 Br\n0.353899 0.353899 0.146151 Br\n0.801816 0.198183 0.500000 Br\n0.698183 0.301816 0.000000 Br\n0.198184 0.801817 0.500000 Br\n0.796171 0.047936 0.792119 Br\n0.301816 0.698184 0.000000 Br\n0.418640 0.165539 0.422159 Br\n0.834461 0.581360 0.577841 Br\n0.665539 0.918640 0.077841 Br\n0.203828 0.952064 0.207880 Br\n0.296171 0.547937 0.707880 Br\n0.452063 0.703829 0.292119 Br\n0.081360 0.334461 0.922159 Br\n0.703828 0.452063 0.292119 Br\n",
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{
"id": "jvasp-90875",
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"structure_string": "Tl6 Au2\n1.0\n6.047123 -0.000000 -0.000000\n0.000000 6.047123 -0.000000\n0.000000 0.000000 6.047123\nTl Au\n6 2\ndirect\n0.000000 0.500000 0.750000 Tl\n0.500000 0.250000 0.000000 Tl\n0.750000 0.000000 0.500000 Tl\n0.000000 0.500000 0.250000 Tl\n0.500000 0.750000 0.000000 Tl\n0.250000 0.000000 0.500000 Tl\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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"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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"structure_string": "Si2 Br6\n1.0\n-3.130079 -5.699971 1.032294\n-3.130079 5.699971 1.032294\n-0.030710 0.000000 -7.461298\nSi Br\n2 6\ndirect\n0.450920 0.450920 0.334870 Si\n0.549081 0.549081 0.665131 Si\n0.746292 0.746292 0.250907 Br\n0.253709 0.253709 0.749094 Br\n0.099224 0.419735 0.229070 Br\n0.419735 0.099224 0.229070 Br\n0.900776 0.580265 0.770932 Br\n0.580265 0.900776 0.770932 Br\n",
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"structure_string": "C2 N4\n1.0\n2.477183 0.000000 -0.000000\n-1.238591 3.223090 -0.000000\n-0.000000 -0.000000 4.581420\nC N\n2 4\ndirect\n0.887369 0.774738 0.279273 C\n0.112630 0.225262 0.779273 C\n0.924779 0.849560 0.952032 N\n0.075220 0.150440 0.452032 N\n0.736907 0.473815 0.821545 N\n0.263092 0.526185 0.321546 N\n",
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{
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"created_at": "2022-09-04T14:36:31.969551Z",
"updated_at": "2022-09-04T14:36:31.969576Z",
"structure_string": "Pu4 Si4\n1.0\n3.866853 0.000000 0.000000\n-0.000000 5.657819 0.000000\n0.000000 0.000000 8.045818\nPu Si\n4 4\ndirect\n0.250000 0.389938 0.682075 Pu\n0.749999 0.610063 0.317925 Pu\n0.749999 0.889938 0.817925 Pu\n0.250000 0.110062 0.182075 Pu\n0.250000 0.874688 0.531279 Si\n0.749999 0.125312 0.468722 Si\n0.749999 0.374688 0.968722 Si\n0.250000 0.625312 0.031278 Si\n",
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"structure_string": "Sr2 Si2\n1.0\n4.059684 0.000000 -0.000000\n0.000000 4.431249 -1.886319\n-0.000000 0.002976 6.154986\nSr Si\n2 2\ndirect\n0.250000 0.639426 0.278850 Sr\n0.749999 0.360575 0.721151 Sr\n0.250000 0.934424 0.868847 Si\n0.749999 0.065577 0.131154 Si\n",
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