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{
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{
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"structure_string": "Te1 C16 I4 N2\n1.0\n9.224453 0.000000 0.000000\n-4.612226 4.612226 6.605115\n0.000000 -9.224453 0.000000\nTe C I N\n1 16 4 2\ndirect\n0.000000 0.000000 0.000000 Te\n0.316829 0.633658 0.693897 C\n0.316829 0.633658 0.939761 C\n0.693897 0.633658 0.316829 C\n0.939761 0.633658 0.316829 C\n0.683171 0.366342 0.306103 C\n0.683171 0.366342 0.060239 C\n0.306103 0.366342 0.683171 C\n0.060239 0.366342 0.683171 C\n0.393132 0.786264 0.692097 C\n0.393132 0.786264 0.094166 C\n0.692097 0.786264 0.393132 C\n0.094166 0.786264 0.393132 C\n0.606868 0.213736 0.307903 C\n0.606868 0.213736 0.905834 C\n0.307903 0.213736 0.606868 C\n0.905834 0.213736 0.606868 C\n0.312612 0.000000 0.687388 I\n0.687388 0.000000 0.312612 I\n0.687388 0.000000 0.687388 I\n0.312612 0.000000 0.312612 I\n0.250000 0.500000 0.750000 N\n0.750000 0.500000 0.250000 N\n",
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{
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{
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],
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{
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{
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"structure_string": "Li12 Al12\n1.0\n6.142173 -6.396066 0.000000\n6.142173 6.396066 0.000000\n0.000000 0.000000 5.900775\nLi Al\n12 12\ndirect\n0.513516 0.013516 0.750000 Li\n0.986484 0.486484 0.250000 Li\n0.486484 0.986484 0.250000 Li\n0.013516 0.513516 0.750000 Li\n0.305776 0.694224 0.500000 Li\n0.805776 0.194224 0.000000 Li\n0.694224 0.305776 0.500000 Li\n0.194224 0.805776 0.000000 Li\n0.289332 0.289332 0.390564 Li\n0.710668 0.710668 0.609436 Li\n0.210668 0.210668 0.890564 Li\n0.789332 0.789332 0.109436 Li\n0.225227 0.996864 0.537456 Al\n0.003136 0.774773 0.462544 Al\n0.503136 0.274773 0.037456 Al\n0.725227 0.496864 0.962544 Al\n0.774773 0.003136 0.462544 Al\n0.996864 0.225227 0.537456 Al\n0.496864 0.725227 0.962544 Al\n0.274773 0.503136 0.037456 Al\n0.972505 0.972505 0.791472 Al\n0.027495 0.027495 0.208528 Al\n0.527495 0.527495 0.291472 Al\n0.472505 0.472505 0.708528 Al\n",
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"volume": 463.6326708217641,
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"formula_full": "Li12 Al12",
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]
}