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{
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"structure_string": "Li3 Co3 Si3 O12\n1.0\n2.740829 -4.747255 -0.000000\n2.740829 4.747255 -0.000000\n-0.000000 -0.000000 11.283955\nLi Co Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.333333 Li\n0.000000 0.000000 0.666667 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.333333 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.666667 Co\n0.500000 0.500000 0.833333 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.166667 Si\n0.391763 0.221637 0.918771 O\n0.391763 0.170126 0.414561 O\n0.829874 0.221638 0.081228 O\n0.778363 0.170126 0.585438 O\n0.170126 0.778363 0.081228 O\n0.221637 0.391763 0.747894 O\n0.608237 0.778363 0.918771 O\n0.608237 0.829874 0.414561 O\n0.829874 0.608237 0.252106 O\n0.170126 0.391763 0.252106 O\n0.221638 0.829874 0.585438 O\n0.778363 0.608237 0.747894 O\n",
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{
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"structure_string": "Ca4 Mg3 H14\n1.0\n3.112170 -5.390437 0.000000\n3.112170 5.390437 0.000000\n0.000000 0.000000 6.842828\nCa Mg H\n4 3 14\ndirect\n0.000000 0.000000 0.266422 Ca\n0.000000 0.000000 0.733578 Ca\n0.666667 0.333333 0.500000 Ca\n0.333333 0.666667 0.500000 Ca\n0.557060 0.557060 0.000000 Mg\n-0.000000 0.442940 0.000000 Mg\n0.442940 -0.000000 0.000000 Mg\n0.769441 -0.000000 0.000000 H\n-0.000000 0.769441 0.000000 H\n0.230560 0.230560 0.000000 H\n0.736431 -0.000000 0.500000 H\n-0.000000 0.736431 0.500000 H\n0.263569 0.263569 0.500000 H\n0.611972 0.611972 0.723981 H\n-0.000000 0.388028 0.723981 H\n0.666667 0.333333 0.000000 H\n0.388028 -0.000000 0.276019 H\n-0.000000 0.388028 0.276019 H\n0.611972 0.611972 0.276019 H\n0.388028 -0.000000 0.723981 H\n0.333333 0.666667 0.000000 H\n",
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"structure_string": "Ni1 Pb2 N6 O12\n1.0\n6.226771 0.000000 3.595028\n2.075590 5.870656 3.595028\n-0.000000 -0.000000 7.190056\nNi Pb N O\n1 2 6 12\ndirect\n0.000000 0.000000 0.000000 Ni\n0.249999 0.250001 0.250000 Pb\n0.750000 0.750002 0.750001 Pb\n0.187627 0.187626 0.812374 N\n0.187626 0.812374 0.812374 N\n0.812374 0.187626 0.187627 N\n0.812374 0.187626 0.812374 N\n0.187626 0.812374 0.187627 N\n0.812372 0.812374 0.187627 N\n0.658603 -0.000000 0.000000 O\n0.999999 0.000000 0.658603 O\n0.658602 0.000000 0.341397 O\n0.341398 -0.000000 0.000000 O\n0.341397 0.658603 0.000001 O\n0.000001 0.341398 0.658604 O\n0.000001 0.658603 0.341397 O\n0.000001 0.341398 1.000000 O\n0.341397 0.000000 0.658604 O\n0.658603 0.341398 0.000000 O\n0.000000 0.000000 0.341397 O\n0.000001 0.658603 0.000001 O\n",
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{
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"structure_string": "Sr4 Zn3 F14\n1.0\n6.834331 -0.000000 0.000933\n3.417166 5.918015 0.000467\n-0.001520 -0.000000 7.147279\nSr Zn F\n4 3 14\ndirect\n0.005581 0.000000 0.469486 Sr\n0.338895 0.333333 0.231749 Sr\n0.672229 0.666666 0.231749 Sr\n0.005561 0.000000 0.994016 Sr\n0.464210 0.541350 0.731754 Zn\n0.005560 0.458649 0.731754 Zn\n0.546930 0.000000 0.731748 Zn\n0.765262 0.240249 0.731749 F\n0.005514 0.390268 0.001398 F\n0.395782 0.609732 0.001398 F\n0.245849 0.000000 0.731760 F\n0.738801 0.266744 0.231763 F\n0.005545 0.733255 0.231764 F\n0.005511 0.759750 0.731750 F\n0.615292 0.000000 0.462103 F\n0.672225 0.666644 0.731758 F\n0.338869 0.333355 0.731758 F\n0.005569 0.390222 0.462110 F\n0.395792 0.609777 0.462110 F\n0.272316 0.000000 0.231722 F\n0.615313 0.000000 0.001396 F\n",
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"structure_string": "Sr2 Ti6 N2 O11\n1.0\n-3.847129 -0.000569 0.000840\n1.922661 7.548528 -0.005274\n-0.001983 -1.440141 -9.184029\nSr Ti N O\n2 6 2 11\ndirect\n0.553896 0.111131 0.754208 Sr\n0.455087 0.913520 0.221582 Sr\n0.120279 0.243891 0.085002 Ti\n0.164483 0.332331 0.439723 Ti\n0.241023 0.485383 0.755439 Ti\n0.766506 0.536331 0.234267 Ti\n0.833280 0.669888 0.565646 Ti\n0.886006 0.775352 0.892447 Ti\n0.293953 0.591237 0.580533 N\n0.932151 0.867636 0.716414 N\n0.833902 0.671136 0.096063 O\n0.357413 0.718154 0.893970 O\n0.237543 0.478413 0.241290 O\n0.753654 0.510639 0.767961 O\n0.065214 0.133777 0.299081 O\n0.636357 0.276048 0.116161 O\n0.151498 0.306334 0.903479 O\n0.122152 0.247669 0.616552 O\n0.872465 0.748208 0.382137 O\n0.696847 0.397040 0.427168 O\n0.996543 -0.003593 0.019527 O\n",
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"structure_string": "In2 Ag2 P4 S12\n1.0\n3.116642 -5.398182 0.000000\n3.116642 5.398182 0.000000\n-0.000000 0.000000 12.973197\nIn Ag P S\n2 2 4 12\ndirect\n0.000000 0.000000 0.250000 In\n0.000000 0.000000 0.750000 In\n0.666667 0.333333 0.250000 Ag\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.662364 P\n0.666667 0.333333 0.837637 P\n0.333333 0.666667 0.337637 P\n0.333333 0.666667 0.162363 P\n0.319373 0.974665 0.381698 S\n0.025334 0.344706 0.381698 S\n0.655293 0.680626 0.381698 S\n0.025334 0.680626 0.118303 S\n0.655293 0.974665 0.118303 S\n0.344706 0.319373 0.618303 S\n0.680626 0.025334 0.618303 S\n0.974665 0.655293 0.618303 S\n0.680626 0.655293 0.881698 S\n0.974665 0.319373 0.881698 S\n0.319373 0.344706 0.118303 S\n0.344706 0.025334 0.881698 S\n",
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"structure_string": "Bi8 O12\n1.0\n7.871271 0.000000 0.000000\n0.000000 7.871271 0.000000\n0.000000 -0.000000 5.617330\nBi O\n8 12\ndirect\n0.757687 0.478612 0.767936 Bi\n0.242312 0.521388 0.767936 Bi\n0.478612 0.242312 0.232064 Bi\n0.521388 0.757687 0.232064 Bi\n0.978612 0.257687 0.267936 Bi\n0.742312 0.978612 0.732064 Bi\n0.257687 0.021388 0.732064 Bi\n0.021388 0.742312 0.267936 Bi\n0.210892 0.187818 0.035512 O\n0.187818 0.789108 0.964488 O\n0.687818 0.710892 0.535512 O\n0.312182 0.289108 0.535512 O\n0.289108 0.687818 0.464488 O\n0.500000 0.000000 0.408096 O\n0.000000 0.500000 0.091904 O\n0.500000 0.000000 0.908096 O\n0.789108 0.812182 0.035512 O\n0.000000 0.500000 0.591904 O\n0.710892 0.312182 0.464488 O\n0.812182 0.210892 0.964488 O\n",
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"structure_string": "Zn2 Si4 Sn2 O12\n1.0\n5.336013 0.162113 1.274346\n1.500823 7.085619 0.766569\n0.157827 0.080981 7.281115\nZn Si Sn O\n2 4 2 12\ndirect\n0.750000 0.299147 0.700854 Zn\n0.250001 0.700853 0.299149 Zn\n0.219849 0.171027 0.360228 Si\n0.280150 0.639772 0.828974 Si\n0.719848 0.360227 0.171028 Si\n0.780151 0.828973 0.639773 Si\n0.249999 0.154927 0.845075 Sn\n0.749998 0.845075 0.154927 Sn\n0.667791 0.056900 0.656961 O\n0.832209 0.343038 0.943101 O\n0.617840 0.580286 0.237391 O\n0.882158 0.762611 0.419715 O\n0.382158 0.419713 0.762611 O\n0.037318 0.751017 0.731125 O\n0.962680 0.248983 0.268877 O\n0.537319 0.731124 0.751019 O\n0.332207 0.943100 0.343040 O\n0.462682 0.268877 0.248983 O\n0.117842 0.237389 0.580286 O\n0.167792 0.656961 0.056901 O\n",
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"formula_anonymous": "ABC3",
"energy_above_hull": 3.19413535,
"spacegroup": 19
}
]
}