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{
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"structure_string": "Mo2 Br6\n1.0\n6.606692 0.000000 0.000000\n-3.303347 5.721563 0.000000\n0.000000 -0.000000 5.995121\nMo Br\n2 6\ndirect\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n-0.000000 0.320230 0.250000 Br\n0.679770 0.679770 0.250000 Br\n-0.000001 0.679770 0.750000 Br\n0.320229 0.320230 0.750000 Br\n0.679770 -0.000000 0.750000 Br\n0.320230 -0.000000 0.250000 Br\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",
"nsites": 36,
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"volume": 1032.6730116117824,
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"formula_full": "Mo12 Br24",
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{
"id": "jvasp-4258",
"created_at": "2022-09-04T14:37:33.815822Z",
"updated_at": "2022-09-04T14:37:33.815846Z",
"structure_string": "Mo4 Br12\n1.0\n6.074176 0.000000 0.000000\n0.000000 6.592487 0.000000\n0.000000 0.000000 11.406921\nMo Br\n4 12\ndirect\n0.728580 0.256358 0.500000 Mo\n0.228580 0.743642 0.000000 Mo\n0.271421 0.256358 0.500000 Mo\n0.771421 0.743642 0.000000 Mo\n0.500000 0.092765 0.663940 Br\n0.000000 0.907236 0.836060 Br\n0.500000 0.092765 0.336060 Br\n0.000000 0.907236 0.163940 Br\n0.000000 0.416367 0.000000 Br\n0.500000 0.583634 0.500000 Br\n0.500000 0.053507 0.000000 Br\n0.000000 0.946494 0.500000 Br\n0.000000 0.411152 0.345047 Br\n0.500000 0.588849 0.154953 Br\n0.000000 0.411152 0.654953 Br\n0.500000 0.588849 0.845047 Br\n",
"nsites": 16,
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"elements": [
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"density": 4.880825047670257,
"density_atomic": 0.03502796404867136,
"volume": 456.77790401314786,
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"formula_full": "Mo4 Br12",
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"spacegroup": 59
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{
"id": "jvasp-22722",
"created_at": "2022-09-04T14:35:55.789957Z",
"updated_at": "2022-09-04T14:35:55.789984Z",
"structure_string": "Mo4 Br12\n1.0\n6.769367 0.000000 -0.000000\n0.000000 11.636513 0.000000\n0.000000 0.000000 5.686184\nMo Br\n4 12\ndirect\n0.264130 0.250000 0.045921 Mo\n0.264130 0.250000 0.454077 Mo\n0.735869 0.750000 0.545921 Mo\n0.735869 0.750000 0.954077 Mo\n0.093359 0.076998 0.250000 Br\n0.606796 0.250000 0.250000 Br\n0.093359 0.423001 0.250000 Br\n0.584426 0.597335 0.250000 Br\n0.039742 0.750000 0.250000 Br\n0.584426 0.902664 0.250000 Br\n0.415575 0.097336 0.750001 Br\n0.960259 0.250000 0.750001 Br\n0.415575 0.402664 0.750001 Br\n0.906642 0.576999 0.750001 Br\n0.393205 0.750000 0.750001 Br\n0.906642 0.923002 0.750001 Br\n",
"nsites": 16,
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"elements": [
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"formula_full": "Mo4 Br12",
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{
"id": "jvasp-118749",
"created_at": "2022-09-04T14:38:47.285890Z",
"updated_at": "2022-09-04T14:38:47.285918Z",
"structure_string": "Mo1 Br2\n1.0\n4.906902 -0.386595 -0.037976\n4.243017 -5.217706 -0.663394\n-1.159050 -0.550283 -3.001883\nMo Br\n1 2\ndirect\n0.083711 0.858568 0.035542 Mo\n0.752181 0.280115 0.370851 Br\n0.752273 0.768870 0.368655 Br\n",
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{
"id": "jvasp-118751",
"created_at": "2022-09-04T14:38:47.290352Z",
"updated_at": "2022-09-04T14:38:47.290371Z",
"structure_string": "Mo2 Br2\n1.0\n4.595087 -0.390095 0.096238\n-1.709396 -3.138946 0.012800\n-0.443052 3.233339 -7.222891\nMo Br\n2 2\ndirect\n0.877457 -0.037729 0.844405 Mo\n0.533235 0.284844 0.844240 Mo\n0.051760 0.815824 0.537695 Br\n0.358949 0.431350 0.150960 Br\n",
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},
{
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"created_at": "2022-09-04T14:38:05.999185Z",
"updated_at": "2022-09-04T14:38:05.999207Z",
"structure_string": "Mo1 C1\n1.0\n1.461549 -2.531476 -0.000000\n1.461549 2.531476 -0.000000\n0.000000 0.000000 2.831576\nMo C\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666668 0.500001 C\n",
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{
"id": "jvasp-55020",
"created_at": "2022-09-04T14:37:37.742876Z",
"updated_at": "2022-09-04T14:37:37.742883Z",
"structure_string": "Mo2 C1\n1.0\n1.442025 -2.497661 0.000000\n1.442025 2.497661 -0.000000\n-0.000000 0.000000 5.452234\nMo C\n2 1\ndirect\n0.666669 0.333335 0.257007 Mo\n0.666669 0.333335 0.742993 Mo\n0.000000 0.000000 0.000000 C\n",
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{
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"created_at": "2022-09-04T14:37:29.942336Z",
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{
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"created_at": "2022-09-04T14:36:35.615269Z",
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"structure_string": "Mo6 C4\n1.0\n3.067373 -0.000000 0.000000\n-1.533685 2.656423 0.000000\n-0.000000 -0.000000 14.508838\nMo C\n6 4\ndirect\n0.000000 0.000000 0.245804 Mo\n0.000000 0.000000 0.754196 Mo\n0.333332 0.666666 0.408451 Mo\n0.666665 0.333333 0.591550 Mo\n0.666665 0.333333 0.916454 Mo\n0.333332 0.666666 0.083546 Mo\n0.666665 0.333333 0.320189 C\n0.333332 0.666666 0.679811 C\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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{
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"structure_string": "Mo1 C1\n1.0\n2.346564 2.346564 0.000000\n2.346564 0.000000 -2.346564\n0.000000 2.346564 -2.346564\nMo C\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.749999 0.749999 0.749999 C\n",
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