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{
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"structure_string": "Ti12 C240 Cl48\n1.0\n-13.393756 0.000000 0.872800\n0.020160 0.000000 -18.322818\n0.000000 -19.434273 0.000000\nTi C Cl\n12 240 48\ndirect\n0.159375 0.896274 0.243660 Ti\n0.659375 0.396274 0.256340 Ti\n0.840625 0.103726 0.756340 Ti\n0.340625 0.603726 0.743660 Ti\n0.870859 0.141011 0.410271 Ti\n0.370859 0.641011 0.089729 Ti\n0.129141 0.858989 0.589729 Ti\n0.629141 0.358989 0.910271 Ti\n0.596883 0.048185 0.144907 Ti\n0.096883 0.548185 0.355093 Ti\n0.403117 0.951815 0.855093 Ti\n0.903117 0.451815 0.644907 Ti\n0.948233 0.565870 0.887465 C\n0.448233 0.065870 0.612535 C\n0.051767 0.434130 0.112535 C\n0.551767 0.934130 0.387465 C\n0.891133 0.582403 0.826477 C\n0.391133 0.082403 0.673523 C\n0.108867 0.417597 0.173523 C\n0.608867 0.917597 0.326477 C\n0.785724 0.575471 0.844608 C\n0.285724 0.075471 0.655392 C\n0.214276 0.424529 0.155392 C\n0.714276 0.924529 0.344608 C\n0.777876 0.554784 0.916663 C\n0.277876 0.054784 0.583337 C\n0.222124 0.445216 0.083337 C\n0.722124 0.945216 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C\n0.193798 0.154721 0.924558 C\n0.693798 0.654721 0.575442 C\n0.693908 0.877660 0.955790 C\n0.193908 0.377660 0.544210 C\n0.306092 0.122340 0.044210 C\n0.806092 0.622340 0.455790 C\n0.854849 0.933768 0.913608 C\n0.354849 0.433768 0.586392 C\n0.145151 0.066232 0.086392 C\n0.645151 0.566232 0.413608 C\n0.955342 0.927811 0.940084 C\n0.455342 0.427811 0.559916 C\n0.044658 0.072189 0.059916 C\n0.544658 0.572189 0.440084 C\n0.947362 0.907148 0.012146 C\n0.447362 0.407148 0.487854 C\n0.052638 0.092852 0.987854 C\n0.552638 0.592852 0.512146 C\n0.842006 0.900358 0.030341 C\n0.342006 0.400358 0.469659 C\n0.157994 0.099642 0.969659 C\n0.657994 0.599642 0.530341 C\n0.784871 0.917056 0.969352 C\n0.284871 0.417056 0.530648 C\n0.215129 0.082944 0.030648 C\n0.715129 0.582944 0.469352 C\n0.008861 0.929721 0.223451 Cl\n0.508861 0.429721 0.276549 Cl\n0.991139 0.070279 0.776549 Cl\n0.491139 0.570279 0.723451 Cl\n0.237206 0.976227 0.311866 Cl\n0.737206 0.476227 0.188134 Cl\n0.762794 0.023773 0.688134 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"volume": 4769.049283066014,
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"formula_full": "Ti12 C240 Cl48",
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{
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{
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{
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{
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{
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