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"structure_string": "Ti4 Zn4 O8\n1.0\n2.896350 0.159485 -0.004940\n-1.021061 7.500881 -0.126574\n-1.507202 -1.015844 8.328503\nTi Zn O\n4 4 8\ndirect\n0.102832 0.708234 0.587557 Ti\n0.358599 0.565968 0.252425 Ti\n0.665478 0.454117 0.775777 Ti\n0.921290 0.311842 0.440651 Ti\n0.795720 0.937213 0.296888 Zn\n0.228276 0.082864 0.731294 Zn\n0.383632 0.157744 0.066999 Zn\n0.640215 0.862359 0.961204 Zn\n0.499183 0.258383 0.597803 O\n0.226625 0.638821 0.815778 O\n0.797471 0.381262 0.212428 O\n0.524946 0.761685 0.430406 O\n0.696351 0.897395 0.713941 O\n0.837994 0.710119 0.152148 O\n0.327689 0.122681 0.314263 O\n0.186097 0.309975 0.876054 O\n",
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{
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"structure_string": "Nb6 Fe16 Si7\n1.0\n6.885525 -0.000000 3.975359\n2.295175 6.491735 3.975359\n-0.000000 0.000000 7.950719\nNb Fe Si\n6 16 7\ndirect\n0.795565 0.795565 0.204435 Nb\n0.204435 0.795565 0.795566 Nb\n0.204435 0.795565 0.204435 Nb\n0.795566 0.204435 0.795565 Nb\n0.204435 0.204435 0.795565 Nb\n0.795566 0.204435 0.204435 Nb\n0.173525 0.173525 0.479424 Fe\n0.826475 0.826474 0.826476 Fe\n0.826475 0.826474 0.520576 Fe\n0.380009 0.380008 0.380009 Fe\n0.619992 0.619991 0.140027 Fe\n0.140026 0.619991 0.619992 Fe\n0.619992 0.140026 0.619991 Fe\n0.859974 0.380008 0.380009 Fe\n0.380008 0.859973 0.380009 Fe\n0.173525 0.479424 0.173525 Fe\n0.479424 0.173525 0.173525 Fe\n0.619992 0.619991 0.619992 Fe\n0.520576 0.826474 0.826476 Fe\n0.380009 0.380008 0.859974 Fe\n0.173525 0.173525 0.173525 Fe\n0.826475 0.520575 0.826475 Fe\n0.500000 0.000000 0.500000 Si\n-0.000000 0.500000 0.000000 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 -0.000000 Si\n0.500000 0.500000 0.500000 Si\n",
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"created_at": "2022-09-04T14:35:41.365769Z",
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"structure_string": "Ta6 Fe16 Si7\n1.0\n6.861847 -0.000000 3.961689\n2.287282 6.469410 3.961689\n-0.000000 -0.000000 7.923377\nTa Fe Si\n6 16 7\ndirect\n0.796826 0.796826 0.203174 Ta\n0.203174 0.796826 0.796826 Ta\n0.203174 0.796826 0.203174 Ta\n0.796826 0.203174 0.796826 Ta\n0.203174 0.203174 0.796826 Ta\n0.796826 0.203174 0.203174 Ta\n0.172923 0.172923 0.481232 Fe\n0.827077 0.827077 0.827077 Fe\n0.827077 0.827077 0.518768 Fe\n0.380257 0.380257 0.380257 Fe\n0.619743 0.619743 0.140772 Fe\n0.140772 0.619743 0.619743 Fe\n0.619743 0.140772 0.619743 Fe\n0.859228 0.380257 0.380257 Fe\n0.380257 0.859228 0.380257 Fe\n0.172923 0.481232 0.172923 Fe\n0.481232 0.172923 0.172923 Fe\n0.619743 0.619743 0.619743 Fe\n0.518768 0.827077 0.827077 Fe\n0.380257 0.380257 0.859228 Fe\n0.172923 0.172923 0.172923 Fe\n0.827077 0.518768 0.827077 Fe\n0.500000 0.000000 0.500000 Si\n-0.000000 0.500000 0.000000 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 -0.000000 Si\n0.500000 0.500000 0.500000 Si\n",
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{
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"structure_string": "Ca2 Mg2 As2 O8 F2\n1.0\n5.474204 -0.007128 -1.337167\n-1.966747 5.108705 -1.337167\n-0.012221 -0.017776 7.113759\nCa Mg As O F\n2 2 2 8 2\ndirect\n0.835911 0.671225 0.750974 Ca\n0.171225 0.335912 0.250974 Ca\n0.503551 0.003569 0.000969 Mg\n0.503569 0.003551 0.500969 Mg\n0.824702 0.682427 0.250975 As\n0.182426 0.324703 0.750976 As\n0.243849 0.622178 0.927104 O\n0.603304 0.674702 0.382149 O\n0.832423 0.903837 0.119811 O\n0.763250 0.384948 0.074840 O\n0.174702 0.103304 0.882150 O\n0.403836 0.332423 0.619811 O\n0.122178 0.743849 0.427105 O\n0.884947 0.263250 0.574840 O\n0.421499 0.085621 0.250972 F\n0.585620 0.921499 0.750972 F\n",
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"structure_string": "I8 Cl8\n1.0\n4.328950 0.000000 0.000000\n0.000000 10.597691 -5.365035\n0.000000 -0.043134 11.816599\nI Cl\n8 8\ndirect\n0.868921 0.633539 0.703896 I\n0.631079 0.133539 0.703896 I\n0.876081 0.109480 0.186959 I\n0.368921 0.866462 0.296105 I\n0.123919 0.890520 0.813042 I\n0.131079 0.366462 0.296105 I\n0.623919 0.609480 0.186959 I\n0.376081 0.390520 0.813042 I\n0.862292 0.151997 0.525883 Cl\n0.637707 0.651997 0.525884 Cl\n0.137707 0.848004 0.474117 Cl\n0.144506 0.616698 0.909098 Cl\n0.855494 0.383302 0.090902 Cl\n0.644506 0.883302 0.090903 Cl\n0.362292 0.348004 0.474117 Cl\n0.355494 0.116698 0.909098 Cl\n",
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"structure_string": "Ca2 Sb4 O8\n1.0\n6.725809 -0.624638 0.026753\n-0.712306 6.717121 0.035910\n-3.030450 -3.076242 5.194411\nCa Sb O\n2 4 8\ndirect\n0.125235 0.875227 0.750001 Ca\n0.875012 0.125000 0.249995 Ca\n0.509392 0.000645 0.451094 Sb\n0.441675 0.490547 0.491260 Sb\n-0.000724 0.450388 0.008706 Sb\n0.549583 0.558358 0.048948 Sb\n0.702603 0.320881 0.009275 O\n0.311597 0.193337 0.490746 O\n0.806568 0.297311 0.618229 O\n0.057825 0.174642 0.003330 O\n0.171321 0.554495 0.496664 O\n0.825358 0.828685 0.383192 O\n0.679064 0.688344 -0.118274 O\n0.445484 0.942135 0.116827 O\n",
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"structure_string": "Ba4 Zn8 As8\n1.0\n4.288795 0.000000 0.000000\n-0.000000 10.085852 0.000000\n0.000000 0.000000 11.010424\nBa Zn As\n4 8 8\ndirect\n0.750001 0.753203 0.174493 Ba\n0.750001 0.253203 0.325507 Ba\n0.250000 0.746797 0.674493 Ba\n0.250000 0.246797 0.825507 Ba\n0.250000 0.550693 0.381538 Zn\n0.750001 0.449307 0.618462 Zn\n0.750001 0.401011 0.050220 Zn\n0.750001 0.949307 0.881537 Zn\n0.750001 0.901011 0.449780 Zn\n0.250000 0.098989 0.550220 Zn\n0.250000 0.598989 0.949780 Zn\n0.250000 0.050693 0.118462 Zn\n0.750001 0.649520 0.461334 As\n0.250000 0.850480 0.961334 As\n0.750001 0.149520 0.038666 As\n0.750001 0.522011 0.839610 As\n0.250000 0.477989 0.160389 As\n0.750001 0.022011 0.660389 As\n0.250000 0.977989 0.339610 As\n0.250000 0.350480 0.538665 As\n",
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