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{
"id": "jvasp-119090",
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"structure_string": "Mg6 B4 Rh10\n1.0\n9.468553 -0.000000 0.000000\n0.000000 9.468553 0.000000\n-0.000000 -0.000000 2.945968\nMg B Rh\n6 4 10\ndirect\n0.676792 0.176792 -0.000000 Mg\n0.323208 0.823207 -0.000000 Mg\n0.176792 0.323208 -0.000000 Mg\n0.823207 0.676792 -0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.626256 0.873744 -0.000000 B\n0.373744 0.126256 -0.000000 B\n0.126256 0.626256 -0.000000 B\n0.873744 0.373744 -0.000000 B\n0.571007 0.719378 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n-0.000000 0.500000 0.500000 Rh\n0.219378 0.071007 0.500000 Rh\n0.780622 0.928992 0.500000 Rh\n0.071007 0.780622 0.500000 Rh\n0.719378 0.428993 0.500000 Rh\n0.928992 0.219378 0.500000 Rh\n0.280622 0.571007 0.500000 Rh\n0.428993 0.280622 0.500000 Rh\n",
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{
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"structure_string": "Zr4 Al6 C10\n1.0\n1.626472 -2.817133 -0.000000\n1.626472 2.817133 -0.000000\n-0.000000 0.000000 24.558801\nZr Al C\n4 6 10\ndirect\n0.666666 0.333332 0.056492 Zr\n0.333332 0.666666 0.556492 Zr\n0.666666 0.333332 0.443508 Zr\n0.333332 0.666666 0.943508 Zr\n0.000000 0.000000 0.346351 Al\n0.666666 0.333332 0.750000 Al\n0.000000 0.000000 0.153649 Al\n0.000000 0.000000 0.846351 Al\n0.000000 0.000000 0.653649 Al\n0.333332 0.666666 0.250000 Al\n0.666666 0.333332 0.613593 C\n0.666666 0.333332 0.216916 C\n0.666666 0.333332 0.283084 C\n0.333332 0.666666 0.716916 C\n0.333332 0.666666 0.113593 C\n0.333332 0.666666 0.783084 C\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.333332 0.666666 0.386407 C\n0.666666 0.333332 0.886407 C\n",
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{
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"structure_string": "Nd4 Ni2 Pt2 O12\n1.0\n5.818628 0.000000 0.000000\n-0.000000 4.444860 3.108816\n-0.000000 -0.002283 9.513471\nNd Ni Pt O\n4 2 2 12\ndirect\n0.427926 0.230006 0.749450 Nd\n0.572074 0.769995 0.250551 Nd\n0.927926 0.769995 0.750550 Nd\n0.072074 0.230006 0.249450 Nd\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.802052 0.257841 0.051384 O\n0.197948 0.742160 0.948616 O\n0.801083 0.861949 0.448441 O\n0.198917 0.138052 0.551559 O\n0.301083 0.138051 0.051559 O\n0.969003 0.644385 0.252434 O\n0.469003 0.355615 0.247566 O\n0.530998 0.644386 0.752434 O\n0.697949 0.257841 0.551384 O\n0.030997 0.355615 0.747566 O\n0.698917 0.861949 0.948441 O\n0.302052 0.742160 0.448616 O\n",
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{
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"updated_at": "2022-09-04T14:38:41.429392Z",
"structure_string": "Al1 H8 C5 Cl1 O5\n1.0\n5.254432 -0.126352 0.507822\n1.429944 5.227233 0.911337\n-0.281040 -0.172319 7.178374\nAl H C Cl O\n1 8 5 1 5\ndirect\n0.179051 0.679716 0.395673 Al\n0.568277 0.210868 0.601001 H\n0.757903 0.915518 0.696508 H\n0.466526 0.885905 0.966474 H\n0.201514 0.108920 0.852321 H\n0.459203 0.446566 0.848193 H\n0.682051 0.237797 0.001625 H\n0.742661 0.954463 0.302948 H\n0.975797 0.109464 0.222570 H\n0.554057 0.028992 0.679238 C\n0.413671 0.063479 0.870677 C\n0.291073 0.376209 0.110822 C\n0.425581 0.901756 0.555088 C\n0.479541 0.280233 0.955866 C\n0.945423 0.433678 0.542956 Cl\n0.271493 0.760981 0.623369 O\n0.378703 0.506352 0.223618 O\n0.063219 0.348767 0.123360 O\n0.455462 0.920566 0.375616 O\n0.936125 0.942845 0.279771 O\n",
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{
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"created_at": "2022-09-04T14:38:42.189140Z",
"updated_at": "2022-09-04T14:38:42.189166Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.819639 0.000246 -0.390061\n-0.106164 5.706650 -0.764320\n-0.019924 0.003127 10.241615\nLi Mn Co O\n6 2 2 10\ndirect\n0.600016 0.300002 0.199994 Li\n0.600019 0.800001 0.199995 Li\n0.007424 0.510753 0.014628 Li\n0.192606 0.089252 0.385378 Li\n0.398706 0.696929 0.797425 Li\n0.801176 0.903045 0.602584 Li\n0.196781 0.602488 0.393609 Mn\n0.003184 0.997521 0.006389 Mn\n0.399914 0.200727 0.799785 Co\n0.800119 0.399272 0.600214 Co\n0.702088 0.827008 0.404201 O\n0.495675 0.228309 0.991327 O\n0.704338 0.371701 0.408674 O\n0.092259 0.048398 0.184531 O\n0.107734 0.551609 0.215471 O\n0.895456 0.423325 0.790868 O\n0.304589 0.176673 0.609132 O\n0.296972 0.625554 0.593938 O\n0.903060 0.974445 0.806064 O\n0.497916 0.772998 -0.004199 O\n",
"nsites": 20,
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{
"id": "jvasp-57531",
"created_at": "2022-09-04T14:38:33.051038Z",
"updated_at": "2022-09-04T14:38:33.051064Z",
"structure_string": "Li4 As4 O12\n1.0\n5.103019 -0.022348 1.335244\n1.677623 6.689665 0.559681\n-0.015576 0.036233 6.919373\nLi As O\n4 4 12\ndirect\n0.749999 0.213130 0.786868 Li\n0.749999 0.896137 0.103863 Li\n0.249999 0.786870 0.213131 Li\n0.249999 0.103863 0.896136 Li\n0.261827 0.610623 0.803909 As\n0.738172 0.389377 0.196090 As\n0.238172 0.196090 0.389376 As\n0.761827 0.803910 0.610623 As\n0.011045 0.596427 0.676117 O\n0.378293 0.376211 0.877661 O\n0.988954 0.403573 0.323882 O\n0.861044 0.202185 0.034678 O\n0.121705 0.122338 0.623788 O\n0.361044 0.034679 0.202185 O\n0.488954 0.323883 0.403573 O\n0.878294 0.877662 0.376211 O\n0.638955 0.965321 0.797814 O\n0.511045 0.676117 0.596426 O\n0.138955 0.797815 0.965321 O\n0.621705 0.623788 0.122338 O\n",
"nsites": 20,
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],
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{
"id": "jvasp-33311",
"created_at": "2022-09-04T14:38:34.134149Z",
"updated_at": "2022-09-04T14:38:34.134182Z",
"structure_string": "B4 H8 C4 O4\n1.0\n5.220288 2.218037 -0.864115\n-5.220288 2.218037 0.864115\n-0.243375 0.000000 10.033490\nB H C O\n4 8 4 4\ndirect\n0.642958 0.485924 0.485251 B\n0.485923 0.642958 0.014749 B\n0.357044 0.514078 0.514749 B\n0.514078 0.357044 -0.014749 B\n0.515908 0.205536 0.485850 H\n0.205536 0.515908 0.014150 H\n0.794465 0.484094 0.985850 H\n0.484093 0.794466 0.514150 H\n0.806374 0.662098 0.389514 H\n0.337904 0.193627 0.889514 H\n0.193627 0.337904 0.610485 H\n0.662097 0.806375 0.110486 H\n0.861094 0.618367 0.612633 C\n0.618366 0.861095 0.887367 C\n0.138907 0.381635 0.387367 C\n0.381635 0.138907 0.112633 C\n-0.015668 0.281064 0.286353 O\n0.015668 0.718937 0.713647 O\n0.718937 0.015669 0.786352 O\n0.281064 -0.015667 0.213647 O\n",
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{
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"created_at": "2022-09-04T14:38:34.134938Z",
"updated_at": "2022-09-04T14:38:34.134952Z",
"structure_string": "Ba4 Mn4 O12\n1.0\n2.843370 -4.924861 0.000000\n2.843370 4.924861 -0.000000\n-0.000000 -0.000000 9.289302\nBa Mn O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.887329 Mn\n0.666667 0.333333 0.612670 Mn\n0.333333 0.666667 0.387329 Mn\n0.333333 0.666667 0.112671 Mn\n0.500000 0.500000 0.500000 O\n0.625377 0.812689 0.250000 O\n0.812689 0.625377 0.750000 O\n0.374623 0.187311 0.750000 O\n0.000000 0.500000 0.500000 O\n0.187311 0.374623 0.250000 O\n0.812689 0.187311 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.187311 0.812689 0.250000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:48.181272Z",
"updated_at": "2022-09-04T14:38:48.181303Z",
"structure_string": "Er7 Co1 I12\n1.0\n9.102943 -0.006092 -2.758172\n-3.716111 8.309881 -2.758172\n-0.003952 -0.006092 9.511627\nEr Co I\n7 1 12\ndirect\n0.500000 0.500000 0.500000 Er\n0.289642 0.092381 0.023404 Er\n0.023404 0.289642 0.092381 Er\n0.092381 0.023404 0.289642 Er\n0.710358 0.907619 0.976597 Er\n0.976596 0.710359 0.907620 Er\n0.907619 0.976597 0.710359 Er\n0.000000 0.000000 0.000000 Co\n0.675825 0.230704 0.072570 I\n0.769296 0.927430 0.324176 I\n0.927430 0.324175 0.769297 I\n0.324175 0.769296 0.927431 I\n0.842290 0.609722 0.530202 I\n0.390278 0.469798 0.157710 I\n0.530202 0.842290 0.609722 I\n0.157710 0.390278 0.469798 I\n0.072570 0.675825 0.230704 I\n0.469798 0.157710 0.390279 I\n0.609722 0.530202 0.842291 I\n0.230704 0.072570 0.675825 I\n",
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{
"id": "jvasp-116487",
"created_at": "2022-09-04T14:38:43.283523Z",
"updated_at": "2022-09-04T14:38:43.283551Z",
"structure_string": "U4 Si10 Os6\n1.0\n7.657862 0.000092 2.744234\n-1.409228 7.527080 2.744234\n-0.000434 -0.000523 5.799058\nU Si Os\n4 10 6\ndirect\n0.869170 0.594532 0.761377 U\n0.405468 0.130830 0.738622 U\n0.130830 0.405468 0.238622 U\n0.594532 0.869170 0.261377 U\n0.223351 0.776649 0.250000 Si\n0.776649 0.223351 0.750000 Si\n0.484648 0.515352 0.250000 Si\n0.515352 0.484648 0.750000 Si\n0.795194 0.204806 0.250000 Si\n0.261927 0.064390 0.336271 Si\n0.935609 0.738073 0.163729 Si\n0.738073 0.935610 0.663729 Si\n0.064391 0.261927 0.836271 Si\n0.204806 0.795195 0.749999 Si\n0.999772 0.000228 0.750000 Os\n0.252645 0.542876 0.636572 Os\n0.457125 0.747355 0.863427 Os\n0.747355 0.457124 0.363427 Os\n0.542875 0.252645 0.136572 Os\n0.000228 0.999772 0.249999 Os\n",
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"created_at": "2022-09-04T14:38:32.906103Z",
"updated_at": "2022-09-04T14:38:32.906130Z",
"structure_string": "Na2 Mn2 Si4 O12\n1.0\n5.281831 -0.203971 1.148768\n1.378173 6.286364 0.582211\n-0.138286 0.117998 6.459385\nNa Mn Si O\n2 2 4 12\ndirect\n0.749999 0.297654 0.702346 Na\n0.249999 0.702346 0.297653 Na\n0.749999 0.906845 0.093155 Mn\n0.249999 0.093155 0.906845 Mn\n0.746463 0.794863 0.616797 Si\n0.246463 0.616797 0.794863 Si\n0.753536 0.383203 0.205137 Si\n0.253536 0.205137 0.383202 Si\n0.336594 0.040648 0.194882 O\n0.163405 0.805117 0.959352 O\n0.481347 0.348614 0.365015 O\n0.696443 0.622681 0.100161 O\n0.803555 0.899839 0.377319 O\n0.303555 0.377319 0.899839 O\n0.196443 0.100161 0.622681 O\n0.981347 0.365015 0.348614 O\n0.518651 0.651386 0.634985 O\n0.018651 0.634985 0.651386 O\n0.836594 0.194882 0.040648 O\n0.663405 0.959352 0.805117 O\n",
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{
"id": "jvasp-117090",
"created_at": "2022-09-04T14:38:48.236410Z",
"updated_at": "2022-09-04T14:38:48.236435Z",
"structure_string": "Na8 Fe4 O8\n1.0\n5.665247 -0.461399 -0.077051\n-1.340016 7.767774 -0.127321\n-0.091698 -0.111591 6.028728\nNa Fe O\n8 4 8\ndirect\n0.502076 0.016380 0.249502 Na\n0.013203 0.036492 0.253178 Na\n0.986696 0.963535 0.746837 Na\n0.497783 0.983582 0.750590 Na\n0.896416 0.330821 0.876532 Na\n0.350857 0.312887 0.632459 Na\n0.649283 0.687146 0.367596 Na\n0.103788 0.669180 0.123430 Na\n0.177151 0.638475 0.593807 Fe\n0.822723 0.361472 0.406071 Fe\n0.608008 0.640232 0.864864 Fe\n0.392114 0.359725 0.135241 Fe\n0.808035 0.146378 0.538100 O\n0.293246 0.145015 0.970378 O\n0.706636 0.854988 0.029651 O\n0.191791 0.853614 0.461901 O\n0.739720 0.469720 0.143091 O\n0.221943 0.467691 0.353379 O\n0.778136 0.532293 0.646604 O\n0.260386 0.530368 0.856793 O\n",
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}
]
}