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{
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{
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{
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{
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"structure_string": "Co2 H64 C16 S8 N4 O20\n1.0\n12.556520 0.000000 0.000000\n0.000000 9.892531 0.000000\n0.000000 6.871205 11.153841\nCo H C S N O\n2 64 16 8 4 20\ndirect\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.005969 0.180673 0.470201 H\n0.424322 0.643440 0.342889 H\n0.769417 0.778524 0.465908 H\n0.902214 0.386959 0.465615 H\n0.402214 0.613041 0.034385 H\n0.019989 0.170672 0.337385 H\n0.137948 0.880525 0.918259 H\n0.500650 0.594395 0.714240 H\n0.894272 0.121035 0.416233 H\n0.999350 0.594395 0.214240 H\n0.835551 0.531651 0.330053 H\n0.335551 0.468349 0.169947 H\n0.921339 0.565021 0.772850 H\n0.644376 0.847029 0.356422 H\n0.565564 0.544003 0.145077 H\n0.711341 0.328344 0.914969 H\n0.730583 0.778524 0.965908 H\n0.789374 0.984559 0.987839 H\n0.105728 0.878965 0.583767 H\n0.394272 0.878965 0.083767 H\n0.648498 0.517022 0.650570 H\n0.924322 0.356560 0.157111 H\n0.480011 0.170672 0.837385 H\n0.499350 0.405605 0.285760 H\n0.505969 0.819327 0.029799 H\n0.788659 0.328344 0.414969 H\n0.494031 0.180673 0.970201 H\n0.637948 0.119475 0.581741 H\n0.097786 0.613041 0.534385 H\n0.075678 0.643440 0.842889 H\n0.994031 0.819327 0.529799 H\n0.980011 0.829328 0.662615 H\n0.078661 0.434979 0.227150 H\n0.300704 0.686174 0.263104 H\n0.934436 0.544003 0.645077 H\n0.800704 0.313826 0.236896 H\n0.664449 0.531651 0.830053 H\n0.351502 0.482978 0.349430 H\n0.148498 0.482978 0.849430 H\n0.855624 0.847029 0.856422 H\n0.851502 0.517022 0.150570 H\n0.862052 0.119475 0.081741 H\n0.575678 0.356560 0.657111 H\n0.288659 0.671656 0.085031 H\n0.269417 0.221476 0.034092 H\n0.710626 0.984559 0.487839 H\n0.144376 0.152971 0.143578 H\n0.434436 0.455997 0.854923 H\n0.519989 0.829328 0.162615 H\n0.699296 0.313826 0.736896 H\n0.578661 0.565021 0.272850 H\n0.605728 0.121035 0.916233 H\n0.210626 0.015441 0.012161 H\n0.597786 0.386959 0.965615 H\n0.362052 0.880525 0.418259 H\n0.199296 0.686174 0.763104 H\n0.230583 0.221476 0.534092 H\n0.065564 0.455997 0.354923 H\n0.211341 0.671656 0.585031 H\n0.164449 0.468349 0.669947 H\n0.355624 0.152971 0.643578 H\n0.289374 0.015441 0.512161 H\n0.421339 0.434979 0.727150 H\n0.000650 0.405605 0.785760 H\n0.858317 0.406834 0.386562 C\n0.034484 0.804317 0.609286 C\n0.371342 0.609640 0.293400 C\n0.965516 0.195683 0.390714 C\n0.641683 0.406834 0.886562 C\n0.628658 0.390360 0.706600 C\n0.534484 0.195683 0.890714 C\n0.128658 0.609640 0.793400 C\n0.465516 0.804317 0.109286 C\n0.141683 0.593166 0.613438 C\n0.358317 0.593166 0.113438 C\n0.025806 0.471712 0.274853 C\n0.871342 0.390360 0.206600 C\n0.974194 0.528288 0.725147 C\n0.525806 0.528288 0.225147 C\n0.474194 0.471712 0.774853 C\n0.190633 0.139561 0.721422 S\n0.890507 0.821801 0.995489 S\n0.390507 0.178199 0.504511 S\n0.609493 0.821801 0.495489 S\n0.690633 0.860439 0.778578 S\n0.809367 0.860439 0.278578 S\n0.109493 0.178199 0.004511 S\n0.309367 0.139561 0.221422 S\n0.430046 0.634632 0.184833 N\n0.069954 0.634632 0.684833 N\n0.930046 0.365368 0.315167 N\n0.569954 0.365368 0.815167 N\n0.815693 0.841005 0.781506 O\n0.261416 0.918703 0.511017 O\n0.315693 0.158995 0.718494 O\n0.663554 0.030867 0.728024 O\n0.664238 0.772202 0.924210 O\n0.184307 0.158995 0.218494 O\n0.864787 0.148530 0.995059 O\n0.635213 0.148530 0.495059 O\n0.336446 0.969133 0.271976 O\n0.335762 0.227798 0.075790 O\n0.836446 0.030867 0.228024 O\n0.163554 0.969133 0.771976 O\n0.164238 0.227798 0.575790 O\n0.761416 0.081297 0.988983 O\n0.135213 0.851470 0.004941 O\n0.238584 0.918703 0.011017 O\n0.738584 0.081297 0.488983 O\n0.364787 0.851470 0.504941 O\n0.835762 0.772202 0.424210 O\n0.684307 0.841005 0.281506 O\n",
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{
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"structure_string": "Li4 Nb2 Cr3 Cu3 O16\n1.0\n5.993537 0.085583 0.177986\n-2.922538 5.063479 0.000897\n0.287504 0.167795 9.766854\nLi Nb Cr Cu O\n4 2 3 3 16\ndirect\n0.322918 0.661691 0.898843 Li\n0.998433 0.999094 0.993181 Li\n0.008713 0.004940 0.488426 Li\n0.680140 0.340092 0.403714 Li\n0.369222 0.685260 0.496036 Nb\n0.668259 0.333068 0.989200 Nb\n0.659791 0.829051 0.218026 Cr\n0.827209 0.660225 0.715616 Cr\n0.827876 0.167823 0.715161 Cr\n0.175175 0.836394 0.212966 Cu\n0.175451 0.339012 0.213608 Cu\n0.336027 0.168559 0.714084 Cu\n0.157999 0.826105 0.588493 O\n0.056638 0.529613 0.332102 O\n0.336587 0.668603 0.119933 O\n0.999882 0.999123 0.298638 O\n0.992386 0.996362 0.806742 O\n0.158019 0.332071 0.588127 O\n0.518344 0.977796 0.355887 O\n0.514148 0.537513 0.355495 O\n0.307631 0.153332 0.095339 O\n0.672375 0.836444 0.603812 O\n0.511322 0.478176 0.841328 O\n0.511906 0.033525 0.841122 O\n0.673122 0.337062 0.611702 O\n0.790059 0.649550 0.085181 O\n0.958017 0.478874 0.839251 O\n0.792348 0.140942 0.085831 O\n",
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{
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{
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