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{
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{
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"structure_string": "K4 Ge12 As12\n1.0\n3.890139 0.000000 0.000000\n0.000000 9.954508 0.000000\n-0.000000 -0.000000 18.758821\nK Ge As\n4 12 12\ndirect\n0.250000 0.227786 0.543018 K\n0.250000 0.727786 0.956982 K\n0.750000 0.772214 0.456982 K\n0.750000 0.272214 0.043018 K\n0.750000 0.984878 0.869477 Ge\n0.750000 0.484878 0.630523 Ge\n0.250000 0.515122 0.369477 Ge\n0.750000 0.100475 0.744323 Ge\n0.750000 0.600475 0.755677 Ge\n0.250000 0.015122 0.130523 Ge\n0.250000 0.399525 0.244323 Ge\n0.750000 0.177039 0.347010 Ge\n0.750000 0.677039 0.152990 Ge\n0.250000 0.822961 0.652990 Ge\n0.250000 0.322961 0.847010 Ge\n0.250000 0.899525 0.255677 Ge\n0.250000 0.757063 0.779607 As\n0.250000 0.257063 0.720393 As\n0.750000 0.378731 0.422888 As\n0.750000 0.878731 0.077112 As\n0.250000 0.621269 0.577112 As\n0.750000 0.974474 0.627308 As\n0.750000 0.474473 0.872692 As\n0.250000 0.525527 0.127308 As\n0.250000 0.025527 0.372692 As\n0.750000 0.742938 0.279607 As\n0.250000 0.121269 0.922888 As\n0.750000 0.242937 0.220393 As\n",
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"structure_string": "Ti1 H14 C8 O4\n1.0\n4.890404 -0.010637 0.419030\n0.836991 6.284288 -0.026966\n-0.111589 -0.209306 7.873858\nTi H C O\n1 14 8 4\ndirect\n0.256981 0.725943 0.208938 Ti\n0.967458 0.278209 0.821344 H\n0.283155 0.321262 0.296717 H\n0.453682 0.259476 0.890495 H\n0.378729 0.490932 0.777602 H\n-0.084038 0.010716 0.031692 H\n0.626634 0.303522 0.511754 H\n0.879132 0.514829 0.716535 H\n0.241792 0.927817 0.912577 H\n0.599521 0.895650 0.709235 H\n0.915290 -0.007150 0.642215 H\n0.221092 0.114839 0.092587 H\n0.921705 0.420856 0.315253 H\n0.144067 0.501681 0.471115 H\n0.326887 0.199387 0.586602 H\n0.807023 0.415961 0.819040 C\n0.529925 0.348117 0.783389 C\n0.538220 0.216503 0.616521 C\n0.699539 -0.009363 0.614484 C\n0.816264 0.541926 0.984929 C\n0.128485 0.458715 0.335988 C\n0.139316 0.975151 0.039307 C\n0.693379 0.888464 0.438904 C\n0.907779 0.866694 0.339141 O\n0.047550 0.580810 0.023784 O\n0.590334 0.604944 0.079130 O\n0.460026 0.838651 0.396167 O\n",
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{
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"structure_string": "Ba1 B2 As2\n1.0\n-2.094467 2.094467 5.335268\n2.094467 -2.094467 5.335268\n2.094467 2.094467 -5.335268\nBa B As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750002 0.250000 0.500002 B\n0.250000 0.750002 0.500002 B\n0.325757 0.325757 0.000000 As\n0.674242 0.674242 0.000000 As\n",
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"structure_string": "Sr6 Sb6 N10\n1.0\n6.060395 -0.030765 -0.897955\n-0.842122 7.304043 -1.374948\n-0.423389 -0.110699 10.314583\nSr Sb N\n6 6 10\ndirect\n0.726914 0.374519 0.537661 Sr\n0.273087 0.625480 0.462339 Sr\n0.734297 0.891317 0.947292 Sr\n0.265704 0.108682 0.052708 Sr\n0.730227 0.811783 0.266651 Sr\n0.269774 0.188215 0.733349 Sr\n0.799910 0.282402 0.226426 Sb\n0.266213 0.081119 0.376016 Sb\n0.200091 0.717596 0.773574 Sb\n0.220456 0.601752 0.083276 Sb\n0.779545 0.398246 0.916724 Sb\n0.733788 0.918880 0.623984 Sb\n0.351968 0.776455 0.977826 N\n-0.000236 0.925074 0.788817 N\n0.000236 0.074926 0.211182 N\n0.709861 0.685250 0.481298 N\n0.290140 0.314749 0.518702 N\n0.882148 0.638247 0.062931 N\n0.117853 0.361752 0.937069 N\n0.444363 0.875986 0.705565 N\n0.555638 0.124013 0.294435 N\n0.648033 0.223543 0.022174 N\n",
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