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{
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"structure_string": "H4 C10 S3 O1\n1.0\n3.699276 0.311070 0.000472\n1.149677 6.081614 0.003662\n-0.002259 -0.002155 10.002498\nH C S O\n4 10 3 1\ndirect\n0.121813 0.139887 0.181832 H\n-0.048757 0.164882 0.684379 H\n-0.050951 0.165179 0.435068 H\n0.124167 0.139547 0.937624 H\n0.829040 0.626130 0.559726 C\n0.180602 0.586815 0.059752 C\n0.938078 0.521591 0.689151 C\n0.106514 0.497879 0.189688 C\n0.106706 0.497864 0.929818 C\n0.938000 0.521572 0.430339 C\n-0.008628 0.305927 0.741482 C\n0.076153 0.293472 0.240202 C\n0.077480 0.293286 0.879282 C\n-0.009852 0.306071 0.377997 C\n0.011199 0.705317 0.309488 S\n0.010288 0.705469 0.810026 S\n0.599265 0.898884 0.559644 S\n0.270700 0.768578 0.059732 O\n",
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{
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"structure_string": "Li1 N2\n1.0\n3.795936 0.000000 0.074570\n0.000000 2.887942 0.000000\n0.141923 0.000000 2.991681\nLi N\n1 2\ndirect\n0.466922 0.000000 0.132917 Li\n-0.153074 0.000000 -0.480141 N\n0.086152 0.000000 0.747224 N\n",
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{
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"structure_string": "H4 C2 O6\n1.0\n2.864599 0.000000 3.066093\n2.864599 0.000000 -3.066093\n0.000000 6.625351 0.000000\nH C O\n4 2 6\ndirect\n0.431756 0.568244 0.207704 H\n0.431756 0.568244 0.792296 H\n0.068245 0.931756 0.707704 H\n0.068245 0.931756 0.292296 H\n0.407030 0.592971 0.500000 C\n0.092971 0.907029 0.000000 C\n0.201127 0.798874 0.500000 O\n0.298874 0.701126 0.000000 O\n0.524889 0.475112 0.335437 O\n0.524889 0.475112 0.664563 O\n0.975111 0.024889 0.835437 O\n0.975111 0.024889 0.164563 O\n",
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{
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"structure_string": "Ca2 Mg4\n1.0\n5.347818 -0.000000 3.087564\n1.782606 5.041971 3.087564\n-0.000000 -0.000000 6.175128\nCa Mg\n2 4\ndirect\n0.750001 0.750000 0.749999 Ca\n0.500001 0.500000 0.499999 Ca\n0.125001 0.625000 0.124999 Mg\n0.125000 0.125000 0.125000 Mg\n0.625000 0.125000 0.124999 Mg\n0.125000 0.125000 0.625000 Mg\n",
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"structure_string": "Mg1 Ta1 O1\n1.0\n6.604132 0.000000 0.000000\n0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nMg Ta O\n1 1 1\ndirect\n0.334025 0.000270 0.000000 Mg\n-0.007434 -0.082740 0.000000 Ta\n0.000717 0.299680 0.000000 O\n",
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{
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}