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"structure_string": "Ti8 C5\n1.0\n5.294448 -0.009775 3.012301\n1.747304 4.997820 3.012301\n-0.013800 -0.009775 6.091383\nTi C\n8 5\ndirect\n0.249732 0.762820 0.249732 Ti\n0.249733 0.249731 0.762820 Ti\n0.762821 0.249731 0.249732 Ti\n0.237180 0.750267 0.750268 Ti\n0.750268 0.237178 0.750267 Ti\n0.750268 0.750267 0.237180 Ti\n0.244982 0.244981 0.244982 Ti\n0.755018 0.755017 0.755018 Ti\n0.000000 -0.000000 0.500000 C\n0.500000 -0.000000 -0.000000 C\n-0.000000 0.500000 0.000000 C\n0.500000 0.499999 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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"structure_string": "Sm1 Al8 Cu4\n1.0\n4.801395 0.000000 1.992405\n2.400698 6.259715 0.996203\n0.001506 0.000000 6.777890\nSm Al Cu\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.347811 0.652190 0.652189 Al\n0.000001 0.347810 0.652189 Al\n0.000000 0.652190 0.347810 Al\n0.652191 0.347810 0.347810 Al\n0.720138 0.779864 0.779863 Al\n0.500001 0.220137 0.779863 Al\n0.500001 0.779864 0.220136 Al\n0.279864 0.220137 0.220136 Al\n0.500001 -0.000000 0.500000 Cu\n0.000000 0.500000 -0.000000 Cu\n0.500001 0.500000 -0.000000 Cu\n0.000000 -0.000000 0.500000 Cu\n",
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{
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"created_at": "2022-09-04T14:37:19.605089Z",
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"structure_string": "Pr5 Co2 B6\n1.0\n5.220463 0.007138 7.195583\n2.340463 4.666425 7.195583\n0.011548 0.007138 8.889855\nPr Co B\n5 2 6\ndirect\n0.583856 0.583856 0.583856 Pr\n0.416143 0.416143 0.416143 Pr\n0.748549 0.748550 0.748550 Pr\n0.251450 0.251450 0.251450 Pr\n0.000000 0.000000 0.000000 Pr\n0.877194 0.877194 0.877194 Co\n0.122805 0.122805 0.122805 Co\n0.832733 0.500000 0.167266 B\n0.500000 0.167266 0.832733 B\n0.167266 0.832733 0.500000 B\n0.167266 0.500000 0.832734 B\n0.500000 0.832733 0.167266 B\n0.832733 0.167266 0.500000 B\n",
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"structure_string": "Ba1 Ni4 O8\n1.0\n2.676148 -4.635225 -0.000000\n2.676148 4.635225 -0.000000\n-0.000000 0.000000 7.143555\nBa Ni O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.256507 Ni\n0.666667 0.333333 0.256507 Ni\n0.333333 0.666667 0.743492 Ni\n0.666667 0.333333 0.743492 Ni\n0.645714 0.645714 0.310596 O\n0.000000 0.354286 0.310596 O\n0.354286 0.000000 0.310596 O\n0.354287 0.354287 0.689403 O\n0.645713 0.000001 0.689403 O\n0.000001 0.645713 0.689403 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:12.045299Z",
"updated_at": "2022-09-04T14:37:12.045320Z",
"structure_string": "Ca1 Mn4 S8\n1.0\n6.915091 0.071254 0.050383\n3.519253 6.095524 0.000000\n3.519253 2.031841 5.746916\nCa Mn S\n1 4 8\ndirect\n0.500000 -0.000000 -0.000000 Ca\n-0.000000 0.499999 0.500000 Mn\n0.500000 0.499999 -0.000000 Mn\n0.500000 0.499999 0.500000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.251228 0.267195 0.267195 S\n0.251228 0.267195 0.714383 S\n0.251228 0.714382 0.267195 S\n0.723731 0.258755 0.258756 S\n0.276269 0.741243 0.741244 S\n0.748772 0.732804 0.285617 S\n0.748772 0.285617 0.732805 S\n0.748772 0.732804 0.732805 S\n",
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{
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"created_at": "2022-09-04T14:37:18.964241Z",
"updated_at": "2022-09-04T14:37:18.964265Z",
"structure_string": "Li2 V3 F8\n1.0\n6.224746 -0.000000 -0.000000\n-3.112373 1.796930 4.927516\n3.112373 -5.390788 0.000000\nLi V F\n2 3 8\ndirect\n0.120229 0.360686 0.120228 Li\n0.879772 0.639315 0.879772 Li\n-0.000000 -0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.500000 -0.000000 0.500000 V\n0.095336 0.776420 0.095336 F\n0.095336 0.776420 0.585748 F\n0.585749 0.776420 0.095336 F\n0.596666 0.789996 0.596666 F\n0.403335 0.210004 0.403335 F\n0.414252 0.223581 0.904665 F\n0.904665 0.223581 0.414252 F\n0.904665 0.223581 0.904665 F\n",
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{
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"created_at": "2022-09-04T14:37:11.682323Z",
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"structure_string": "Ca2 Sn3 O8\n1.0\n5.144685 0.000203 -1.606487\n-0.940352 5.588858 -3.010718\n-0.077657 -0.170713 6.546924\nCa Sn O\n2 3 8\ndirect\n0.654541 0.719700 0.439397 Ca\n0.345457 0.280302 0.560601 Ca\n0.500000 0.999999 -0.000001 Sn\n0.999998 0.737694 -0.000001 Sn\n0.999998 0.262305 -0.000001 Sn\n0.058401 0.390733 0.781465 O\n0.941598 0.609266 0.218533 O\n0.084843 0.897357 0.794712 O\n0.915156 0.102643 0.205285 O\n0.398675 0.330946 0.220234 O\n0.398675 0.889288 0.220233 O\n0.601325 0.110711 0.779765 O\n0.601325 0.669054 0.779765 O\n",
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"structure_string": "Ca1 Cr4 O8\n1.0\n5.151608 -0.020324 3.915965\n1.930797 4.776138 3.915965\n-0.030266 -0.020324 6.470930\nCa Cr O\n1 4 8\ndirect\n0.500000 0.500002 0.499999 Ca\n0.500001 1.000000 0.500001 Cr\n0.999999 0.500002 0.500001 Cr\n0.500000 0.500001 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.767626 0.276606 0.767627 O\n0.232371 0.232374 0.723395 O\n0.232372 0.723397 0.232372 O\n0.723394 0.232374 0.232373 O\n0.275142 0.275143 0.275142 O\n0.724858 0.724860 0.724859 O\n0.276605 0.767629 0.767627 O\n0.767628 0.767629 0.276605 O\n",
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"structure_string": "Mg1 Sn4 O8\n1.0\n5.318788 -0.422818 3.288678\n1.621509 5.083207 3.288678\n-0.629664 -0.422818 6.221611\nMg Sn O\n1 4 8\ndirect\n0.500001 0.500001 0.499999 Mg\n0.500002 0.999999 0.500001 Sn\n1.000000 0.500000 0.500001 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.734286 0.304317 0.734284 O\n0.265715 0.265715 0.695683 O\n0.265715 0.695684 0.265714 O\n0.695683 0.265715 0.265715 O\n0.262196 0.262197 0.262196 O\n0.737805 0.737804 0.737804 O\n0.304319 0.734286 0.734284 O\n0.734286 0.734286 0.304317 O\n",
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}