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{
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"structure_string": "Ba4 Zr1 Sb1\n1.0\n0.000000 4.986411 4.986411\n4.986411 0.000000 4.986411\n4.986411 4.986411 -0.000000\nBa Zr Sb\n4 1 1\ndirect\n0.127157 0.624280 0.624280 Ba\n0.624280 0.624280 0.624280 Ba\n0.624280 0.127157 0.624280 Ba\n0.624280 0.624280 0.127157 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Sb\n",
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{
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{
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"structure_string": "Y4 Sc4 O12\n1.0\n5.441531 0.000000 0.000000\n0.000000 5.743063 0.000000\n0.000000 0.000000 7.935603\nY Sc O\n4 4 12\ndirect\n0.980357 0.935903 0.009029 Y\n0.480357 0.564096 0.509029 Y\n0.519643 0.435903 0.009029 Y\n0.019643 0.064096 0.509029 Y\n0.500001 0.999979 0.759012 Sc\n0.000001 0.500020 0.259012 Sc\n-0.000001 0.499980 0.759012 Sc\n0.499998 0.000020 0.259012 Sc\n0.809750 0.193562 0.191237 O\n0.309751 0.306438 0.691236 O\n0.309806 0.306552 0.326723 O\n0.870087 0.443167 0.508999 O\n0.129913 0.556833 0.008999 O\n0.190194 0.806551 0.326723 O\n0.690249 0.693562 0.191237 O\n0.190249 0.806437 0.691236 O\n0.809806 0.193448 0.826722 O\n0.629913 0.943167 0.508999 O\n0.690194 0.693448 0.826722 O\n0.370087 0.056833 0.008999 O\n",
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{
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"structure_string": "K2 Fe1 Cu1 C6 N6\n1.0\n6.188275 0.093253 -3.180936\n-1.783955 5.718297 -3.298190\n0.076883 -0.043608 6.969543\nK Fe Cu C N\n2 1 1 6 6\ndirect\n0.211010 0.743700 0.488301 K\n0.788987 0.256300 0.511697 K\n0.500000 0.500001 0.000000 Fe\n0.000002 0.999999 0.000001 Cu\n0.719759 0.721548 0.067181 C\n0.280241 0.278451 0.932817 C\n0.409381 0.323778 0.646497 C\n0.719434 0.345245 0.066295 C\n0.590620 0.676223 0.353504 C\n0.280566 0.654755 0.933703 C\n0.645899 0.785041 0.571895 N\n0.129302 0.144226 0.878364 N\n0.129767 0.734710 0.879693 N\n0.870233 0.265287 0.120304 N\n0.870697 0.855773 0.121633 N\n0.354098 0.214960 0.428105 N\n",
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"structure_string": "Ba4 Cu1 Pd1\n1.0\n-0.000000 4.986817 4.986817\n4.986817 -0.000000 4.986817\n4.986817 4.986817 0.000000\nBa Cu Pd\n4 1 1\ndirect\n0.123477 0.625508 0.625508 Ba\n0.625508 0.625508 0.625508 Ba\n0.625508 0.123477 0.625508 Ba\n0.625508 0.625508 0.123477 Ba\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Pd\n",
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{
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"structure_string": "Li16 H8 N8\n1.0\n-3.529383 4.993738 3.518188\n3.529383 -4.993738 3.518188\n3.529383 4.993738 -3.518188\nLi H N\n16 8 8\ndirect\n0.987740 0.120266 0.367474 Li\n0.717957 0.595280 0.108195 Li\n0.487085 0.095279 0.377323 Li\n0.717957 0.109761 0.622677 Li\n0.253463 0.645288 0.622691 Li\n0.022597 0.630772 0.377308 Li\n0.253463 0.130772 0.108175 Li\n0.022597 0.145288 0.891825 Li\n0.487085 0.609761 0.891805 Li\n0.870312 0.870287 0.500025 Li\n0.476340 0.620289 0.356051 Li\n0.264238 0.120288 0.643949 Li\n0.247184 0.620282 0.126902 Li\n0.493380 0.120281 0.873098 Li\n0.752792 0.620265 0.632526 Li\n0.370262 0.370286 0.499975 Li\n0.064017 0.453675 0.777152 H\n0.676523 0.286864 0.222848 H\n0.064017 0.786864 0.110341 H\n0.676523 0.953675 0.889658 H\n0.959411 0.260898 0.198514 H\n0.781159 0.479646 0.801512 H\n0.678134 0.979646 0.198488 H\n0.062384 0.760897 0.801486 H\n0.129686 0.900803 0.289950 N\n0.600838 0.359749 0.741088 N\n0.618662 0.859750 0.258911 N\n0.121878 0.880804 0.741073 N\n0.139731 0.380804 0.258926 N\n0.129686 0.339735 0.728882 N\n0.610853 0.400804 0.271118 N\n0.610853 0.839735 0.710050 N\n",
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{
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"structure_string": "Mn2 P2 H12 N2 O10\n1.0\n4.848584 0.000000 0.000000\n0.000000 5.746654 0.000000\n0.000000 0.000000 8.901829\nMn P H N O\n2 2 12 2 10\ndirect\n0.530861 0.500000 0.025838 Mn\n0.030861 0.000000 0.974162 Mn\n0.092914 0.500000 0.800716 P\n0.592913 0.000000 0.199285 P\n0.580535 0.137195 0.803483 H\n0.580535 0.862804 0.803483 H\n0.080536 0.637195 0.196517 H\n0.137629 0.149145 0.591914 H\n0.137629 0.850854 0.591914 H\n0.080536 0.362805 0.196517 H\n0.637629 0.649145 0.408086 H\n0.964975 0.000000 0.456590 H\n0.464975 0.500000 0.543410 H\n0.324407 0.000000 0.461458 H\n0.824406 0.500000 0.538542 H\n0.637629 0.350854 0.408086 H\n0.641670 0.500000 0.473817 N\n0.141670 0.000000 0.526183 N\n0.738584 0.216357 0.126118 O\n0.738584 0.783643 0.126118 O\n0.238585 0.283643 0.873882 O\n0.238585 0.716356 0.873882 O\n0.783288 0.500000 0.833953 O\n0.141706 0.500000 0.628662 O\n0.283289 0.000000 0.166047 O\n0.202177 0.500000 0.209135 O\n0.641706 0.000000 0.371338 O\n0.702177 0.000000 0.790865 O\n",
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"structure_string": "K2 Fe1 Cu1 C6 N6\n1.0\n6.188417 0.092622 -3.181383\n-1.783586 5.720126 -3.294822\n0.078233 -0.046180 6.968815\nK Fe Cu C N\n2 1 1 6 6\ndirect\n0.211045 0.743690 0.488297 K\n0.788954 0.256310 0.511703 K\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Cu\n0.719742 0.721715 0.067344 C\n0.280257 0.278285 0.932656 C\n0.409340 0.324002 0.646484 C\n0.719408 0.345219 0.066070 C\n0.590660 0.675998 0.353516 C\n0.280591 0.654781 0.933930 C\n0.645964 0.784719 0.571916 N\n0.129304 0.143951 0.878059 N\n0.129817 0.734762 0.880059 N\n0.870181 0.265238 0.119940 N\n0.870696 0.856049 0.121940 N\n0.354035 0.215282 0.428084 N\n",
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}