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{
"id": "jvasp-75487",
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{
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{
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"structure_string": "Mn10 Si6\n1.0\n3.370552 -5.837967 -0.000000\n3.370552 5.837967 0.000000\n-0.000000 0.000000 4.601316\nMn Si\n10 6\ndirect\n0.235602 0.235602 0.750001 Mn\n0.764397 0.764397 0.250000 Mn\n0.235602 -0.000000 0.250000 Mn\n-0.000000 0.764398 0.750001 Mn\n0.764398 -0.000000 0.750001 Mn\n-0.000000 0.235602 0.250000 Mn\n0.333333 0.666667 0.500000 Mn\n0.666667 0.333333 0.000000 Mn\n0.666667 0.333333 0.500000 Mn\n0.333333 0.666667 0.000000 Mn\n-0.000000 0.392919 0.750001 Si\n0.607081 -0.000000 0.250000 Si\n0.392919 0.392919 0.250000 Si\n0.607080 0.607080 0.750001 Si\n0.392919 -0.000000 0.750001 Si\n-0.000000 0.607081 0.250000 Si\n",
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{
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"structure_string": "Hf4 Cr8\n1.0\n2.512706 -4.352134 0.000000\n2.512706 4.352134 -0.000000\n-0.000000 -0.000000 8.059948\nHf Cr\n4 8\ndirect\n0.333334 0.666668 0.439468 Hf\n0.666668 0.333334 0.560532 Hf\n0.666668 0.333334 0.939468 Hf\n0.333334 0.666668 0.060532 Hf\n0.168678 0.337354 0.750000 Cr\n0.168678 0.831323 0.750000 Cr\n0.337354 0.168678 0.250000 Cr\n0.831324 0.662648 0.250000 Cr\n0.662648 0.831324 0.750000 Cr\n0.000000 0.000000 0.000000 Cr\n0.831323 0.168678 0.250000 Cr\n0.000000 0.000000 0.500000 Cr\n",
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{
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"created_at": "2022-09-04T14:36:19.158804Z",
"updated_at": "2022-09-04T14:36:19.158829Z",
"structure_string": "Ta1 Be1 Mo1\n1.0\n1.401342 -2.427196 0.000000\n1.401342 2.427196 -0.000000\n0.000000 -0.000000 6.642801\nTa Be Mo\n1 1 1\ndirect\n0.333332 0.666666 0.684820 Ta\n0.000000 0.000000 0.006735 Be\n0.666666 0.333332 0.308446 Mo\n",
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{
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"created_at": "2022-09-04T14:36:59.846282Z",
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"structure_string": "Ca2 H20 C14 O8\n1.0\n4.252396 0.028267 -0.008549\n-0.055122 7.534757 -1.391907\n0.020488 0.117712 11.221208\nCa H C O\n2 20 14 8\ndirect\n0.008189 0.516459 0.810391 Ca\n0.008189 0.016459 0.810391 Ca\n0.153349 0.128624 0.396902 H\n0.171616 0.857578 0.453114 H\n0.171616 0.357578 0.453114 H\n0.698346 0.817709 0.547371 H\n0.698346 0.317709 0.547372 H\n0.687043 0.090374 0.492737 H\n0.687042 0.590374 0.492736 H\n0.667288 0.652203 0.284947 H\n0.667287 0.152204 0.284947 H\n0.153350 0.628625 0.396902 H\n0.666270 0.381300 0.335983 H\n0.666271 0.881300 0.335982 H\n0.699007 0.715784 0.073465 H\n0.686293 0.943034 0.128260 H\n0.686291 0.443033 0.128260 H\n0.699005 0.215784 0.073465 H\n0.152456 0.903363 0.223660 H\n0.172577 0.174477 0.167461 H\n0.172578 0.674478 0.167461 H\n0.152454 0.403362 0.223660 H\n0.535876 0.827510 0.097682 C\n0.535874 0.327509 0.097682 C\n0.317579 0.792371 0.199169 C\n0.317577 0.292370 0.199169 C\n0.509160 0.766507 0.310407 C\n0.509159 0.266507 0.310407 C\n0.317565 0.740099 0.421511 C\n0.535925 0.705582 0.523154 C\n0.535926 0.205582 0.523154 C\n0.385530 0.853036 0.979635 C\n0.385529 0.353036 0.979635 C\n0.385529 0.679973 0.641170 C\n0.385529 0.179973 0.641171 C\n0.317564 0.240099 0.421511 C\n0.523303 0.082740 0.706643 O\n0.121851 0.254133 0.673794 O\n0.121851 0.754133 0.673794 O\n0.523358 0.450303 0.914184 O\n0.523359 0.950302 0.914184 O\n0.121817 0.278818 0.946977 O\n0.121817 0.778818 0.946977 O\n0.523304 0.582739 0.706643 O\n",
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{
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"structure_string": "Zr1 Ta1 Co4\n1.0\n4.164986 0.000000 2.404655\n1.388329 3.926787 2.404655\n0.000000 0.000000 4.809312\nZr Ta Co\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ta\n0.624745 0.624745 0.125768 Co\n0.624745 0.125767 0.624744 Co\n0.125767 0.624745 0.624744 Co\n0.624745 0.624745 0.624745 Co\n",
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{
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{
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"structure_string": "Hf12 Sb4\n1.0\n5.361602 0.000000 1.909656\n2.680801 7.920795 0.954828\n0.023170 -0.000001 8.416462\nHf Sb\n12 4\ndirect\n0.327346 0.670070 0.624088 Hf\n0.048566 0.624087 0.329930 Hf\n0.002583 0.375912 0.670070 Hf\n0.621504 0.329929 0.375913 Hf\n0.951878 0.028438 0.598462 Hf\n0.449659 0.598462 0.971562 Hf\n0.019683 0.401538 0.028438 Hf\n0.578778 0.971561 0.401538 Hf\n0.118568 0.977154 0.187350 Hf\n0.694080 0.187350 0.022846 Hf\n0.904277 0.812650 0.977155 Hf\n0.283073 0.022845 0.812650 Hf\n0.183852 0.257869 0.322366 Sb\n0.493781 0.322366 0.742131 Sb\n0.558278 0.677634 0.257869 Sb\n0.764087 0.742131 0.677635 Sb\n",
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"structure_string": "Cd1 H12 C8 O4\n1.0\n3.632300 -0.084253 0.319000\n-0.049314 4.134128 1.043154\n0.313904 0.962434 13.366276\nCd H C O\n1 12 8 4\ndirect\n0.050090 0.382931 0.182220 Cd\n0.259525 0.321149 0.539828 H\n0.519327 0.762403 0.908232 H\n0.958716 0.890899 0.922741 H\n0.406012 0.035603 0.731457 H\n0.885879 0.104968 0.702432 H\n0.340063 0.658658 0.656899 H\n0.740065 0.333406 0.504027 H\n0.381351 0.396809 0.845954 H\n0.862899 0.466923 0.821938 H\n0.283993 0.948599 0.466832 H\n0.753712 0.950477 0.426905 H\n0.817055 0.706639 0.618047 H\n0.511591 0.967104 0.028691 C\n0.674429 0.969883 0.919394 C\n0.639102 0.284302 0.828095 C\n0.631619 0.219755 0.722461 C\n0.515731 0.472533 0.528353 C\n0.496474 0.799464 0.441003 C\n0.396002 0.794775 0.334967 C\n0.577466 0.532141 0.632011 C\n0.581529 0.710729 0.106510 O\n0.178377 0.570936 0.328887 O\n0.514628 0.052898 0.254978 O\n0.287762 0.180768 0.038894 O\n",
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