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{
"id": "mp-21957",
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{
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"structure_string": "Co2 H28 C4 N20 Cl4 O12\n1.0\n7.935601 0.000000 0.000000\n0.000000 13.272622 0.000000\n-3.964981 0.000000 7.085011\nCo H C N Cl O\n2 28 4 20 4 12\ndirect\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.395210 0.816124 0.537705 H\n0.395210 0.683876 0.037705 H\n0.604790 0.183876 0.462295 H\n0.604790 0.316124 0.962295 H\n0.215982 0.867911 0.349437 H\n0.215982 0.632089 0.849437 H\n0.784018 0.132089 0.650563 H\n0.784018 0.367911 0.150563 H\n0.242671 0.056329 0.906277 H\n0.242671 0.443671 0.406277 H\n0.757329 0.943671 0.093723 H\n0.757329 0.556329 0.593723 H\n0.136176 0.845614 0.601968 H\n0.136176 0.654386 0.101968 H\n0.863824 0.154386 0.398032 H\n0.863824 0.345614 0.898032 H\n0.081892 0.953330 0.805464 H\n0.081892 0.546670 0.305464 H\n0.918108 0.046670 0.194536 H\n0.918108 0.453330 0.694536 H\n0.078626 0.209822 0.986036 H\n0.078626 0.290178 0.486036 H\n0.921374 0.790178 0.013964 H\n0.921374 0.709822 0.513964 H\n0.103145 0.287256 0.851220 H\n0.103145 0.212744 0.351220 H\n0.896855 0.712744 0.148780 H\n0.896855 0.787256 0.648780 H\n0.276100 0.981896 0.708954 C\n0.276100 0.518104 0.208954 C\n0.723900 0.018104 0.291046 C\n0.723900 0.481896 0.791046 C\n0.317219 0.881827 0.487120 N\n0.317219 0.618173 0.987120 N\n0.682781 0.118173 0.512880 N\n0.682781 0.381827 0.012880 N\n0.221644 0.902440 0.591302 N\n0.221644 0.597560 0.091302 N\n0.778356 0.097560 0.408698 N\n0.778356 0.402440 0.908698 N\n0.197162 0.995311 0.818812 N\n0.197162 0.504689 0.318812 N\n0.802838 0.004689 0.181188 N\n0.802838 0.495311 0.681188 N\n0.410773 0.043056 0.699805 N\n0.410773 0.456944 0.199805 N\n0.589227 0.956944 0.300195 N\n0.589227 0.543056 0.800195 N\n0.474537 0.127225 0.807318 N\n0.474537 0.372775 0.307318 N\n0.525463 0.872775 0.192682 N\n0.525463 0.627225 0.692682 N\n0.210628 0.095604 0.240547 Cl\n0.210628 0.404396 0.740547 Cl\n0.789372 0.904396 0.759453 Cl\n0.789372 0.595604 0.259453 Cl\n0.591312 0.179743 0.783157 O\n0.591312 0.320257 0.283157 O\n0.408688 0.820257 0.216843 O\n0.408688 0.679743 0.716843 O\n0.422333 0.151415 0.925492 O\n0.422333 0.348585 0.425492 O\n0.577667 0.848585 0.074508 O\n0.577667 0.651415 0.574508 O\n0.006038 0.252076 0.873562 O\n0.006038 0.247924 0.373562 O\n0.993962 0.747924 0.126438 O\n0.993962 0.752076 0.626438 O\n",
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{
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"structure_string": "Mo4 S12 N8 Cl32\n1.0\n16.692566 0.000000 0.000000\n0.000000 7.676201 0.000000\n0.000000 5.150839 11.924671\nMo S N Cl\n4 12 8 32\ndirect\n0.822636 0.062324 0.789979 Mo\n0.322636 0.937676 0.710021 Mo\n0.677364 0.062324 0.289979 Mo\n0.177364 0.937676 0.210021 Mo\n0.344380 0.863080 0.473954 S\n0.126354 0.467816 0.771965 S\n0.626354 0.532184 0.728035 S\n0.464876 0.348835 0.798562 S\n0.155620 0.863080 0.973954 S\n0.373646 0.467816 0.271965 S\n0.655620 0.136920 0.526046 S\n0.844380 0.136920 0.026046 S\n0.964876 0.651165 0.701438 S\n0.035124 0.348835 0.298562 S\n0.873646 0.532184 0.228035 S\n0.535124 0.651165 0.201438 S\n0.166348 0.882545 0.088423 N\n0.333652 0.882545 0.588423 N\n0.040484 0.546297 0.764444 N\n0.959516 0.453703 0.235556 N\n0.833652 0.117455 0.911577 N\n0.666348 0.117455 0.411577 N\n0.540484 0.453703 0.735556 N\n0.459516 0.546297 0.264444 N\n0.187439 0.042236 0.369176 Cl\n0.958333 0.123286 0.737472 Cl\n0.683928 0.019924 0.808217 Cl\n0.816072 0.019924 0.308217 Cl\n0.541667 0.123286 0.237472 Cl\n0.830693 0.488368 0.381688 Cl\n0.980873 0.736868 0.533813 Cl\n0.649983 0.738707 0.401363 Cl\n0.959901 0.250185 0.016890 Cl\n0.797663 0.386434 0.660433 Cl\n0.519127 0.736868 0.033813 Cl\n0.041667 0.876714 0.262528 Cl\n0.297663 0.613566 0.839567 Cl\n0.702337 0.386434 0.160433 Cl\n0.459901 0.749815 0.483110 Cl\n0.480873 0.263132 0.966187 Cl\n0.202337 0.613566 0.339567 Cl\n0.149983 0.261293 0.098637 Cl\n0.312561 0.042236 0.869176 Cl\n0.669307 0.488368 0.881688 Cl\n0.458333 0.876714 0.762528 Cl\n0.350017 0.261293 0.598637 Cl\n0.183928 0.980076 0.691783 Cl\n0.850017 0.738707 0.901363 Cl\n0.812561 0.957764 0.630824 Cl\n0.019127 0.263132 0.466187 Cl\n0.540099 0.250185 0.516890 Cl\n0.040099 0.749815 0.983110 Cl\n0.687439 0.957764 0.130824 Cl\n0.169307 0.511632 0.618312 Cl\n0.316072 0.980076 0.191783 Cl\n0.330693 0.511632 0.118312 Cl\n",
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{
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{
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