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"structure_string": "H8 S8 N12 O2\n1.0\n8.497819 3.106999 -2.489593\n-8.497819 3.106999 2.489593\n-0.186416 0.000000 7.022322\nH S N O\n8 8 12 2\ndirect\n0.794436 0.205565 0.084619 H\n0.205565 0.794436 0.915380 H\n0.001417 0.266018 0.255592 H\n0.733982 0.998584 0.255592 H\n0.998583 0.733983 0.744408 H\n0.266018 0.001417 0.744408 H\n0.886121 0.113880 0.060927 H\n0.113879 0.886121 0.939072 H\n0.319884 0.680117 0.460939 S\n0.670367 0.769416 0.708833 S\n0.230585 0.329633 0.708833 S\n0.680116 0.319884 0.539061 S\n0.769415 0.670367 0.291166 S\n0.353013 0.646988 0.868239 S\n0.646988 0.353013 0.131760 S\n0.329633 0.230585 0.291166 S\n0.145506 0.854495 0.838359 N\n0.854494 0.145506 0.161641 N\n0.285671 0.714329 0.656494 N\n0.714329 0.285671 0.343506 N\n0.588705 0.820043 0.491799 N\n0.179958 0.411296 0.491799 N\n0.820043 0.588705 0.508201 N\n0.616600 0.796496 0.891055 N\n0.203505 0.383400 0.891055 N\n0.383400 0.203505 0.108945 N\n0.796496 0.616600 0.108945 N\n0.411295 0.179958 0.508201 N\n0.684163 0.315837 0.974162 O\n0.315837 0.684164 0.025838 O\n",
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"structure_string": "Mg2 B4 C4\n1.0\n2.772350 0.000000 0.000000\n0.000000 4.628948 0.000000\n0.000000 0.000000 7.210764\nMg B C\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.616391 0.770330 B\n0.000000 0.383610 0.229669 B\n0.500000 0.116390 0.729669 B\n0.500000 0.883610 0.270330 B\n0.000000 0.714711 0.278754 C\n0.000000 0.285290 0.721245 C\n0.500000 0.214710 0.221245 C\n0.500000 0.785290 0.778754 C\n",
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"structure_string": "Ti3 Nb1\n1.0\n2.867977 0.021317 0.000000\n-1.056482 2.666382 0.000000\n-0.000000 -0.000000 8.999084\nTi Nb\n3 1\ndirect\n0.177869 0.822132 -0.000000 Ti\n0.781510 0.218492 0.753483 Ti\n0.781510 0.218492 0.246516 Ti\n0.259117 0.740884 0.500000 Nb\n",
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"updated_at": "2022-09-04T14:36:16.189073Z",
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{
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"updated_at": "2022-09-04T14:36:08.113209Z",
"structure_string": "Ba1 Hf1 Zr4\n1.0\n0.000000 4.267117 4.267117\n4.267117 -0.000000 4.267117\n4.267117 4.267117 -0.000000\nBa Hf Zr\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Hf\n0.115612 0.628129 0.628129 Zr\n0.628129 0.628129 0.628129 Zr\n0.628129 0.115612 0.628129 Zr\n0.628129 0.628129 0.115612 Zr\n",
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}