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{
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{
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"structure_string": "In18 Cu8 Se32\n1.0\n11.850994 0.000000 0.000000\n0.000000 11.850994 0.000000\n0.000000 0.000000 11.850994\nIn Cu Se\n18 8 32\ndirect\n0.239507 0.500000 0.500000 In\n0.230806 0.000000 0.500000 In\n0.769194 0.500000 0.000000 In\n0.500000 0.000000 0.769194 In\n0.000000 0.769194 0.500000 In\n0.500000 0.000000 0.230806 In\n0.000000 0.230806 0.500000 In\n0.500000 0.230806 0.000000 In\n0.500000 0.769194 0.000000 In\n0.000000 0.500000 0.769194 In\n0.000000 0.500000 0.230806 In\n0.769194 0.000000 0.500000 In\n0.230806 0.500000 0.000000 In\n0.500000 0.239507 0.500000 In\n0.500000 0.760493 0.500000 In\n0.500000 0.500000 0.760493 In\n0.500000 0.500000 0.239507 In\n0.760493 0.500000 0.500000 In\n0.229486 0.229486 0.229486 Cu\n0.770514 0.229486 0.770514 Cu\n0.770514 0.770514 0.229486 Cu\n0.229486 0.770514 0.770514 Cu\n0.757493 0.757493 0.757493 Cu\n0.242507 0.757493 0.242507 Cu\n0.242507 0.242507 0.757493 Cu\n0.757493 0.242507 0.242507 Cu\n0.881503 0.649168 0.881503 Se\n0.881503 0.881503 0.649168 Se\n0.118497 0.350832 0.881503 Se\n0.350832 0.118497 0.881503 Se\n0.118497 0.649168 0.118497 Se\n0.649168 0.118497 0.118497 Se\n0.881503 0.118497 0.350832 Se\n0.118497 0.881503 0.350832 Se\n0.649168 0.881503 0.881503 Se\n0.350832 0.881503 0.118497 Se\n0.881503 0.350832 0.118497 Se\n0.120140 0.879860 0.879860 Se\n0.118497 0.118497 0.649168 Se\n0.638639 0.638639 0.130955 Se\n0.361361 0.869045 0.638639 Se\n0.869045 0.361361 0.638639 Se\n0.361361 0.130955 0.361361 Se\n0.130955 0.361361 0.361361 Se\n0.120140 0.120140 0.120140 Se\n0.879860 0.120140 0.879860 Se\n0.879860 0.879860 0.120140 Se\n0.635217 0.364783 0.364783 Se\n0.635217 0.635217 0.635217 Se\n0.364783 0.635217 0.364783 Se\n0.364783 0.364783 0.635217 Se\n0.361361 0.638639 0.869045 Se\n0.361361 0.361361 0.130955 Se\n0.638639 0.130955 0.638639 Se\n0.638639 0.869045 0.361361 Se\n0.869045 0.638639 0.361361 Se\n0.130955 0.638639 0.638639 Se\n0.638639 0.361361 0.869045 Se\n",
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"spacegroup": 215
},
{
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"created_at": "2022-09-04T14:48:05.339011Z",
"structure_string": "K8 Fe4 H32 S8 O48\n1.0\n9.649043 0.000000 0.000000\n0.000000 10.111800 0.000000\n0.000000 1.061753 11.851923\nK Fe H S O\n8 4 32 8 48\ndirect\n0.270786 0.759852 0.168535 K\n0.770786 0.240148 0.331465 K\n0.729214 0.240148 0.831465 K\n0.229214 0.759852 0.668535 K\n0.741293 0.739455 0.167937 K\n0.241293 0.260545 0.332063 K\n0.258707 0.260545 0.832063 K\n0.758707 0.739455 0.667937 K\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.260097 0.603651 0.919423 H\n0.760097 0.396349 0.580577 H\n0.739903 0.396349 0.080577 H\n0.239903 0.603651 0.419423 H\n0.360459 0.727162 0.920969 H\n0.860459 0.272838 0.579031 H\n0.639541 0.272838 0.079031 H\n0.139541 0.727162 0.420969 H\n0.251679 0.387720 0.081903 H\n0.751679 0.612280 0.418097 H\n0.748321 0.612280 0.918097 H\n0.248321 0.387720 0.581903 H\n0.362635 0.270736 0.090769 H\n0.862635 0.729264 0.409231 H\n0.637365 0.729264 0.909231 H\n0.137365 0.270736 0.590769 H\n0.279334 0.970716 0.941404 H\n0.779334 0.029284 0.558596 H\n0.720666 0.029284 0.058596 H\n0.220666 0.970716 0.441404 H\n0.278099 0.051563 0.053431 H\n0.778099 0.948437 0.446569 H\n0.721901 0.948437 0.946569 H\n0.221901 0.051563 0.553431 H\n0.013398 0.266036 0.076596 H\n0.513398 0.733964 0.423404 H\n0.986602 0.733964 0.923404 H\n0.486602 0.266036 0.576596 H\n0.981796 0.272767 0.946902 H\n0.481796 0.727233 0.553098 H\n0.018204 0.727233 0.053098 H\n0.518204 0.272767 0.446902 H\n0.506293 0.049252 0.202629 S\n0.006293 0.950748 0.297371 S\n0.493707 0.950748 0.797371 S\n0.993707 0.049252 0.702629 S\n0.993458 0.478872 0.208950 S\n0.493458 0.521128 0.291050 S\n0.006542 0.521128 0.791050 S\n0.506542 0.478872 0.708950 S\n0.372566 0.882874 0.858503 O\n0.872566 0.117126 0.641497 O\n0.627434 0.117126 0.141497 O\n0.127434 0.882874 0.358503 O\n0.373955 0.114260 0.158411 O\n0.873955 0.885740 0.341589 O\n0.626045 0.885740 0.841589 O\n0.126045 0.114260 0.658411 O\n0.087475 0.393788 0.145347 O\n0.587475 0.606212 0.354653 O\n0.912525 0.606212 0.854653 O\n0.412525 0.393788 0.645347 O\n0.846365 0.454428 0.179652 O\n0.346365 0.545572 0.320348 O\n0.153635 0.545572 0.820348 O\n0.653635 0.454428 0.679652 O\n0.019786 0.928187 0.175853 O\n0.519786 0.071813 0.324147 O\n0.980214 0.071813 0.824147 O\n0.480214 0.928187 0.675853 O\n0.505623 0.907225 0.184582 O\n0.005623 0.092775 0.315418 O\n0.494377 0.092775 0.815418 O\n0.994377 0.907225 0.684582 O\n0.513703 0.562890 0.167631 O\n0.013703 0.437110 0.332369 O\n0.486297 0.437110 0.832369 O\n0.986297 0.562890 0.667631 O\n0.026724 0.621649 0.183801 O\n0.526724 0.378351 0.316199 O\n0.973276 0.378351 0.816199 O\n0.473276 0.621649 0.683801 O\n0.335815 0.641038 0.963895 O\n0.835815 0.358962 0.536105 O\n0.664185 0.358962 0.036105 O\n0.164185 0.641038 0.463895 O\n0.338273 0.356670 0.047557 O\n0.838273 0.643330 0.452443 O\n0.661727 0.643330 0.952443 O\n0.161727 0.356670 0.547557 O\n0.220004 0.023592 0.990337 O\n0.720004 0.976408 0.509663 O\n0.779996 0.976408 0.009663 O\n0.279996 0.023592 0.490337 O\n0.980922 0.211157 0.016451 O\n0.480922 0.788843 0.483549 O\n0.019078 0.788843 0.983549 O\n0.519078 0.211157 0.516451 O\n",
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{
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"structure_string": "Co2 H40 Se4 N4 O28\n1.0\n12.760448 0.000000 0.000000\n0.000000 6.506837 0.000000\n0.000000 2.722900 8.982803\nCo H Se N O\n2 40 4 4 28\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.820551 0.456539 0.427115 H\n0.404019 0.052700 0.237821 H\n0.904019 0.947300 0.262179 H\n0.595981 0.947300 0.762179 H\n0.670710 0.199854 0.930776 H\n0.170710 0.800146 0.569224 H\n0.329290 0.800146 0.069224 H\n0.829290 0.199854 0.430776 H\n0.580401 0.375951 0.831537 H\n0.080401 0.624049 0.668463 H\n0.419599 0.624049 0.168463 H\n0.919599 0.375951 0.331537 H\n0.705794 0.390622 0.769186 H\n0.205794 0.609378 0.730814 H\n0.294206 0.609378 0.230814 H\n0.794206 0.390622 0.269186 H\n0.679449 0.456539 0.927115 H\n0.179449 0.543461 0.572885 H\n0.320551 0.543461 0.072885 H\n0.120045 0.895539 0.249780 H\n0.315732 0.994164 0.362958 H\n0.815732 0.005836 0.137042 H\n0.684268 0.005836 0.637042 H\n0.184268 0.994164 0.862958 H\n0.414382 0.679671 0.712363 H\n0.914382 0.320329 0.787637 H\n0.585618 0.320329 0.287637 H\n0.085618 0.679671 0.212363 H\n0.379955 0.895539 0.749780 H\n0.879955 0.104461 0.750220 H\n0.142601 0.320548 0.978779 H\n0.642601 0.679452 0.521221 H\n0.857399 0.679452 0.021221 H\n0.357399 0.320548 0.478779 H\n0.055632 0.332053 0.096765 H\n0.555632 0.667947 0.403235 H\n0.944368 0.667947 0.903235 H\n0.444368 0.332053 0.596765 H\n0.620045 0.104461 0.250220 H\n0.095981 0.052700 0.737821 H\n0.132200 0.259413 0.413213 Se\n0.632200 0.740587 0.086787 Se\n0.367800 0.259413 0.913213 Se\n0.867800 0.740587 0.586787 Se\n0.659174 0.355678 0.863393 N\n0.840826 0.355678 0.363393 N\n0.159174 0.644322 0.636607 N\n0.340826 0.644322 0.136607 N\n0.393009 0.831616 0.667901 O\n0.932606 0.708978 0.995890 O\n0.567394 0.708978 0.495890 O\n0.067394 0.291022 0.004110 O\n0.820364 0.967590 0.614596 O\n0.320364 0.032410 0.885404 O\n0.110852 0.962160 0.841674 O\n0.610852 0.037840 0.658326 O\n0.889148 0.037840 0.158326 O\n0.389148 0.962160 0.341674 O\n0.179636 0.032410 0.385404 O\n0.679636 0.967590 0.114596 O\n0.944057 0.606640 0.730635 O\n0.444057 0.393360 0.769365 O\n0.893009 0.168384 0.832099 O\n0.432606 0.291022 0.504110 O\n0.106991 0.831616 0.167901 O\n0.055943 0.393360 0.269365 O\n0.561854 0.793271 0.931621 O\n0.061854 0.206729 0.568379 O\n0.438146 0.206729 0.068379 O\n0.938146 0.793271 0.431621 O\n0.732661 0.576515 0.076486 O\n0.232661 0.423485 0.423514 O\n0.267339 0.423485 0.923514 O\n0.767339 0.576515 0.576486 O\n0.555943 0.606640 0.230635 O\n0.606991 0.168384 0.332099 O\n",
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{
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{
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