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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": "Lu2 Al6\n1.0\n3.064684 -5.308188 0.000000\n3.064684 5.308188 0.000000\n0.000000 0.000000 4.647464\nLu Al\n2 6\ndirect\n0.333333 0.666667 0.750000 Lu\n0.666667 0.333333 0.250000 Lu\n0.150736 0.301472 0.250000 Al\n0.698528 0.849264 0.250000 Al\n0.150736 0.849264 0.250000 Al\n0.849264 0.698528 0.750000 Al\n0.301472 0.150736 0.750000 Al\n0.849264 0.150736 0.750000 Al\n",
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{
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"structure_string": "Ca22 C4 N20\n1.0\n14.570162 0.000000 0.000000\n0.000000 14.570162 0.000000\n0.000000 0.000000 3.613799\nCa C N\n22 4 20\ndirect\n0.606339 0.881725 0.000000 Ca\n0.393661 0.118275 0.000000 Ca\n0.618275 0.106339 0.500000 Ca\n0.381725 0.893661 0.500000 Ca\n0.881725 0.606339 0.000000 Ca\n0.106339 0.618275 0.500000 Ca\n0.893661 0.381725 0.500000 Ca\n0.118275 0.393661 0.000000 Ca\n0.167252 0.832748 0.000000 Ca\n0.332748 0.332748 0.500000 Ca\n0.667252 0.667252 0.500000 Ca\n0.832748 0.167252 0.000000 Ca\n0.704788 0.480428 0.000000 Ca\n0.295212 0.519572 0.000000 Ca\n0.019572 0.204788 0.500000 Ca\n0.980428 0.795212 0.500000 Ca\n0.480428 0.704788 0.000000 Ca\n0.204788 0.019572 0.500000 Ca\n0.795212 0.980428 0.500000 Ca\n0.519572 0.295212 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.815798 0.815798 0.000000 C\n0.315798 0.684202 0.500000 C\n0.684202 0.315798 0.500000 C\n0.184202 0.184202 0.000000 C\n0.876265 0.876265 0.000000 N\n0.376265 0.623735 0.500000 N\n0.623735 0.376265 0.500000 N\n0.123735 0.123735 0.000000 N\n0.755841 0.755841 0.000000 N\n0.255841 0.744159 0.500000 N\n0.744159 0.255841 0.500000 N\n0.244159 0.244159 0.000000 N\n0.311230 0.972011 0.000000 N\n0.688770 0.027989 0.000000 N\n0.527989 0.811230 0.500000 N\n0.472011 0.188770 0.500000 N\n0.972011 0.311230 0.000000 N\n0.811230 0.527989 0.500000 N\n0.188770 0.472011 0.500000 N\n0.027989 0.688770 0.000000 N\n0.589769 0.589769 0.000000 N\n0.089769 0.910231 0.500000 N\n0.410231 0.410231 0.000000 N\n0.910231 0.089769 0.500000 N\n",
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{
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{
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