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"structure_string": "Ba1 Ta1 Cu1 O5\n1.0\n3.811819 0.000000 0.000000\n0.000000 3.811819 0.000000\n0.000000 -0.000000 8.608139\nBa Ta Cu O\n1 1 1 5\ndirect\n0.000000 0.000000 0.974581 Ba\n0.500000 0.500000 0.301603 Ta\n0.500000 0.500000 0.713319 Cu\n0.500000 0.000000 0.345461 O\n0.000000 0.500000 0.345461 O\n0.500000 0.000000 0.755456 O\n0.000000 0.500000 0.755456 O\n0.500000 0.500000 0.084812 O\n",
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{
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"structure_string": "H5 C6 S2 N1\n1.0\n5.387431 -0.348907 0.652450\n1.770590 4.729816 2.465263\n0.086144 0.156284 6.014441\nH C S N\n5 6 2 1\ndirect\n0.142787 0.778258 0.146719 H\n0.887286 0.248527 0.800006 H\n0.230881 0.243075 0.449867 H\n0.392803 0.670450 0.360239 H\n0.550921 0.690211 0.977638 H\n0.897637 0.137310 0.690313 C\n0.082073 0.134853 0.500027 C\n0.062207 0.972400 0.392057 C\n0.739591 0.972489 0.728606 C\n0.390599 0.042624 0.023392 C\n0.244678 0.858977 0.232440 C\n0.808908 0.827336 0.521155 S\n0.342766 0.381927 0.928806 S\n0.559099 0.891855 0.916644 N\n",
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"structure_string": "Mg2 H16 C12 O8\n1.0\n4.826192 -0.043894 -0.266296\n-1.704617 6.232018 -0.317625\n0.069303 0.172566 9.751710\nMg H C O\n2 16 12 8\ndirect\n0.232715 0.262900 0.785632 Mg\n0.732716 0.762900 0.785631 Mg\n0.930419 0.704997 0.340581 H\n0.430420 0.204996 0.340582 H\n0.203790 0.935108 0.392875 H\n0.703791 0.435107 0.392875 H\n0.517377 0.702629 0.479697 H\n0.017378 0.202628 0.479699 H\n0.747331 0.975650 0.427546 H\n0.247329 0.475650 0.427544 H\n0.761637 0.090473 0.178400 H\n0.535014 0.820579 0.230701 H\n0.035016 0.320577 0.230702 H\n0.948054 0.822994 0.091598 H\n0.448056 0.322994 0.091600 H\n0.218142 0.049950 0.143760 H\n0.718144 0.549951 0.143762 H\n0.261637 0.590475 0.178400 H\n0.165295 0.767981 0.354726 C\n0.182812 0.881347 0.108188 C\n0.682813 0.381347 0.108190 C\n0.300133 0.757600 0.216553 C\n0.800135 0.257600 0.216553 C\n0.665297 0.267981 0.354726 C\n0.657839 0.138199 0.603013 C\n0.782625 0.144259 0.463099 C\n0.307577 0.887431 0.968270 C\n0.807579 0.387431 0.968269 C\n0.157841 0.638199 0.603013 C\n0.282623 0.644258 0.463099 C\n0.803808 0.082804 0.703536 O\n0.419754 0.179298 0.615763 O\n0.919753 0.679298 0.615763 O\n0.045645 0.346297 0.955518 O\n0.545647 0.846297 0.955518 O\n0.661655 0.442870 0.867751 O\n0.161655 0.942870 0.867750 O\n0.303809 0.582804 0.703536 O\n",
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"created_at": "2022-09-04T14:36:59.179077Z",
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"structure_string": "Li4 Cu4 Te4 O16\n1.0\n6.147920 0.000000 0.000000\n0.000000 6.147920 -0.000000\n-0.000000 0.000000 8.630531\nLi Cu Te O\n4 4 4 16\ndirect\n0.000000 0.206175 0.000000 Li\n0.000000 0.793825 0.500000 Li\n0.206175 0.000000 0.250000 Li\n0.793825 0.000000 0.750000 Li\n0.248741 0.248741 0.625000 Cu\n0.248741 0.751259 0.875000 Cu\n0.751259 0.248741 0.375000 Cu\n0.751259 0.751259 0.125000 Cu\n0.776861 0.500000 0.750000 Te\n0.500000 0.776861 0.500000 Te\n0.500000 0.223139 0.000000 Te\n0.223139 0.500000 0.250000 Te\n0.736660 0.978346 0.502585 O\n0.736660 0.021654 0.997415 O\n0.733702 0.482777 0.984079 O\n0.733702 0.517223 0.515920 O\n0.517223 0.733702 0.734079 O\n0.517223 0.266298 0.765920 O\n0.482777 0.733702 0.265920 O\n0.021654 0.736660 0.252585 O\n0.266298 0.517223 0.484079 O\n0.266298 0.482777 0.015920 O\n0.263340 0.978346 0.497415 O\n0.263340 0.021654 0.002585 O\n0.978346 0.263340 0.752585 O\n0.021654 0.263340 0.247415 O\n0.482777 0.266298 0.234080 O\n0.978346 0.736660 0.747415 O\n",
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{
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"structure_string": "K2 Li1 Nd1 Br6\n1.0\n6.738607 -0.000000 3.890536\n2.246203 6.353219 3.890536\n-0.000000 -0.000000 7.781072\nK Li Nd Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.741058 0.258942 0.258943 Br\n0.258942 0.258942 0.741058 Br\n0.258942 0.741058 0.741058 Br\n0.258942 0.741058 0.258943 Br\n0.741058 0.258942 0.741058 Br\n0.741058 0.741058 0.258943 Br\n",
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