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{
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{
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{
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{
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"structure_string": "Ga8 Ag8 P16 Se48\n1.0\n7.722309 0.000000 0.000000\n0.000000 12.338110 0.000000\n0.000000 0.000000 23.046631\nGa Ag P Se\n8 8 16 48\ndirect\n0.729417 0.864393 0.342190 Ga\n0.770583 0.135607 0.842190 Ga\n0.270583 0.135607 0.657810 Ga\n0.229417 0.864393 0.157810 Ga\n0.229417 0.635607 0.657810 Ga\n0.270583 0.364393 0.157810 Ga\n0.729417 0.635607 0.842190 Ga\n0.770583 0.364393 0.342190 Ga\n0.842532 0.899563 0.516452 Ag\n0.657468 0.399563 0.516452 Ag\n0.842532 0.600437 0.016452 Ag\n0.342532 0.600437 0.483548 Ag\n0.157468 0.399563 0.983548 Ag\n0.657468 0.100437 0.016452 Ag\n0.342532 0.899563 0.983548 Ag\n0.157468 0.100437 0.483548 Ag\n0.545034 0.901226 0.843347 P\n0.758254 0.870107 0.912488 P\n0.758254 0.629893 0.412488 P\n0.241746 0.370107 0.587512 P\n0.045034 0.901226 0.656653 P\n0.454966 0.401226 0.656653 P\n0.954966 0.401226 0.843347 P\n0.741746 0.370107 0.912488 P\n0.045034 0.598774 0.156653 P\n0.258254 0.629893 0.087512 P\n0.258254 0.870107 0.587512 P\n0.954966 0.098774 0.343347 P\n0.545034 0.598774 0.343347 P\n0.741746 0.129893 0.412488 P\n0.454966 0.098774 0.156653 P\n0.241746 0.129893 0.087512 P\n0.370667 0.036444 0.569231 Se\n0.544183 0.266818 0.867943 Se\n0.673653 0.489057 0.619995 Se\n0.813953 0.005786 0.273972 Se\n0.629333 0.536444 0.930769 Se\n0.651029 0.696102 0.492794 Se\n0.129333 0.536444 0.569231 Se\n0.025092 0.262983 0.308565 Se\n0.129333 0.963556 0.069231 Se\n0.813953 0.494214 0.773972 Se\n0.326347 0.989057 0.880005 Se\n0.651029 0.803898 0.992794 Se\n0.186047 0.994214 0.726028 Se\n0.870667 0.463556 0.430769 Se\n0.525092 0.237017 0.691435 Se\n0.025092 0.237017 0.808565 Se\n0.313953 0.494214 0.726028 Se\n0.348971 0.303898 0.507206 Se\n0.455817 0.733182 0.132057 Se\n0.870667 0.036444 0.930769 Se\n0.848971 0.303898 0.992794 Se\n0.955817 0.733182 0.367943 Se\n0.370667 0.463556 0.069231 Se\n0.044183 0.266818 0.632057 Se\n0.525092 0.262983 0.191435 Se\n0.686047 0.505786 0.273972 Se\n0.629333 0.963556 0.430769 Se\n0.544183 0.233182 0.367943 Se\n0.313953 0.005786 0.226028 Se\n0.151029 0.803898 0.507206 Se\n0.173653 0.010943 0.380005 Se\n0.974908 0.737017 0.691435 Se\n0.348971 0.196102 0.007206 Se\n0.826347 0.989057 0.619995 Se\n0.848971 0.196102 0.492794 Se\n0.673653 0.010943 0.119995 Se\n0.955817 0.766818 0.867943 Se\n0.474908 0.737017 0.808565 Se\n0.186047 0.505786 0.226028 Se\n0.974908 0.762983 0.191435 Se\n0.044183 0.233182 0.132057 Se\n0.326347 0.510943 0.380005 Se\n0.151029 0.696102 0.007206 Se\n0.455817 0.766818 0.632057 Se\n0.686047 0.994214 0.773972 Se\n0.173653 0.489057 0.880005 Se\n0.474908 0.762983 0.308565 Se\n0.826347 0.510943 0.119995 Se\n",
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{
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"structure_string": "Mg2 H4 Se2 O10\n1.0\n4.120673 3.519529 0.000000\n-4.120673 3.519529 0.000000\n0.000000 3.431789 6.985282\nMg H Se O\n2 4 2 10\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.967773 0.867019 0.204122 H\n0.132981 0.032227 0.295878 H\n0.032227 0.132981 0.795878 H\n0.867019 0.967773 0.704122 H\n0.415425 0.584575 0.750000 Se\n0.584575 0.415425 0.250000 Se\n0.281684 0.679906 0.583253 O\n0.320094 0.718316 0.916747 O\n0.718316 0.320094 0.416747 O\n0.679906 0.281684 0.083253 O\n0.315545 0.249946 0.849121 O\n0.750054 0.684455 0.650879 O\n0.684455 0.750054 0.150879 O\n0.249946 0.315545 0.349121 O\n0.877233 0.122767 0.750000 O\n0.122767 0.877233 0.250000 O\n",
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{
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{
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"structure_string": "Li2 Cr4 P6 O26\n1.0\n7.020462 5.195859 0.000000\n-7.020462 5.195859 0.000000\n0.000000 4.890248 6.862537\nLi Cr P O\n2 4 6 26\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.162548 0.328946 0.827169 Cr\n0.671054 0.837452 0.672831 Cr\n0.328946 0.162548 0.327169 Cr\n0.837452 0.671054 0.172831 Cr\n0.990552 0.009448 0.750000 P\n0.241346 0.648798 0.943865 P\n0.648798 0.241346 0.443865 P\n0.351202 0.758654 0.556135 P\n0.758654 0.351202 0.056135 P\n0.009448 0.990552 0.250000 P\n0.897648 0.355465 0.885834 O\n0.998809 0.889563 0.926874 O\n0.201092 0.457168 0.964711 O\n0.786961 0.938226 0.795043 O\n0.344825 0.306515 0.769614 O\n0.439637 0.754327 0.905077 O\n0.644535 0.102352 0.614166 O\n0.693485 0.655175 0.730386 O\n0.754327 0.439637 0.405077 O\n0.061774 0.213039 0.704957 O\n0.236717 0.763283 0.750000 O\n0.889563 0.998809 0.426874 O\n0.457168 0.201092 0.464711 O\n0.542832 0.798908 0.535289 O\n0.110437 0.001191 0.573126 O\n0.763283 0.236717 0.250000 O\n0.938226 0.786961 0.295043 O\n0.245673 0.560363 0.594923 O\n0.306515 0.344825 0.269614 O\n0.355465 0.897648 0.385834 O\n0.560363 0.245673 0.094923 O\n0.655175 0.693485 0.230386 O\n0.213039 0.061774 0.204957 O\n0.798908 0.542832 0.035289 O\n0.001191 0.110437 0.073126 O\n0.102352 0.644535 0.114166 O\n",
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{
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