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{
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{
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{
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{
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"formula_full": "K8 Be12 Ni8 F48",
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{
"id": "mp-690733",
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"structure_string": "H4 S2 O8\n1.0\n2.422617 4.124800 0.000000\n-2.422617 4.124800 0.000000\n0.000000 3.123186 8.326585\nH S O\n4 2 8\ndirect\n0.474849 0.800388 0.357836 H\n0.199612 0.525151 0.142164 H\n0.525151 0.199612 0.642164 H\n0.800388 0.474849 0.857836 H\n0.070332 0.929668 0.250000 S\n0.929668 0.070332 0.750000 S\n0.282327 0.749609 0.383816 O\n0.250391 0.717673 0.116184 O\n0.717673 0.250391 0.616184 O\n0.749609 0.282327 0.883816 O\n0.759294 0.926974 0.323293 O\n0.073026 0.240706 0.176707 O\n0.240706 0.073026 0.676707 O\n0.926974 0.759294 0.823293 O\n",
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{
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"structure_string": "B2 H12 N2\n1.0\n3.032301 -3.671198 0.000000\n3.032301 3.671198 0.000000\n0.000000 0.000000 6.370138\nB H N\n2 12 2\ndirect\n0.166645 0.833355 0.691347 B\n0.833355 0.166645 0.191347 B\n0.444961 0.828692 0.969293 H\n0.171308 0.555039 0.969293 H\n0.555039 0.171308 0.469293 H\n0.828692 0.444961 0.469293 H\n0.122143 0.877857 0.030282 H\n0.877857 0.122143 0.530282 H\n0.299012 0.700988 0.575778 H\n0.700988 0.299012 0.075778 H\n0.237628 0.092363 0.665123 H\n0.907637 0.762372 0.665123 H\n0.762372 0.907637 0.165123 H\n0.092363 0.237628 0.165123 H\n0.232661 0.767339 0.929761 N\n0.767339 0.232661 0.429761 N\n",
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{
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{
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"structure_string": "Li20 B4 S16 O64\n1.0\n10.297763 0.000000 0.000000\n0.000000 8.140163 0.000000\n0.000000 4.353653 14.822958\nLi B S O\n20 4 16 64\ndirect\n0.666763 0.999825 0.906304 Li\n0.166763 0.000175 0.593696 Li\n0.333237 0.000175 0.093696 Li\n0.833237 0.999825 0.406304 Li\n0.316030 0.896800 0.796637 Li\n0.816030 0.103200 0.703363 Li\n0.683970 0.103200 0.203363 Li\n0.183970 0.896800 0.296637 Li\n0.619589 0.895220 0.684333 Li\n0.119589 0.104780 0.815667 Li\n0.380411 0.104780 0.315667 Li\n0.880411 0.895220 0.184333 Li\n0.633427 0.693848 0.519843 Li\n0.133427 0.306152 0.980157 Li\n0.366573 0.306152 0.480157 Li\n0.866573 0.693848 0.019843 Li\n0.795055 0.374979 0.515114 Li\n0.295055 0.625021 0.984886 Li\n0.204945 0.625021 0.484886 Li\n0.704945 0.374979 0.015114 Li\n0.959778 0.516502 0.743531 B\n0.459778 0.483498 0.756469 B\n0.040222 0.483498 0.256469 B\n0.540222 0.516502 0.243531 B\n0.880648 0.801743 0.612569 S\n0.380648 0.198257 0.887431 S\n0.119352 0.198257 0.387431 S\n0.619352 0.801743 0.112569 S\n0.121168 0.762775 0.122895 S\n0.621168 0.237225 0.377105 S\n0.878832 0.237225 0.877105 S\n0.378832 0.762775 0.622895 S\n0.551361 0.683342 0.862214 S\n0.051361 0.316658 0.637786 S\n0.448639 0.316658 0.137786 S\n0.948639 0.683342 0.362214 S\n0.558129 0.310716 0.637706 S\n0.058129 0.689284 0.862294 S\n0.441871 0.689284 0.362294 S\n0.941871 0.310716 0.137706 S\n0.814010 0.885770 0.673375 O\n0.314010 0.114230 0.826625 O\n0.185990 0.114230 0.326625 O\n0.685990 0.885770 0.173375 O\n0.800832 0.813482 0.531509 O\n0.300832 0.186518 0.968491 O\n0.199168 0.186518 0.468491 O\n0.699168 0.813482 0.031509 O\n0.012385 0.861429 0.590353 O\n0.512385 0.138571 0.909647 O\n0.987615 0.138571 0.409647 O\n0.487615 0.861429 0.090353 O\n0.335600 0.881824 0.673887 O\n0.835600 0.118176 0.826113 O\n0.664400 0.118176 0.326113 O\n0.164400 0.881824 0.173887 O\n0.516282 0.796228 0.595673 O\n0.016282 0.203772 0.904327 O\n0.483718 0.203772 0.404327 O\n0.983718 0.796228 0.095673 O\n0.291199 0.773930 0.547519 O\n0.791199 0.226070 0.952481 O\n0.708801 0.226070 0.452481 O\n0.208801 0.773930 0.047519 O\n0.616032 0.561499 0.935527 O\n0.116032 0.438501 0.564473 O\n0.383968 0.438501 0.064473 O\n0.883968 0.561499 0.435527 O\n0.622268 0.845809 0.825966 O\n0.122268 0.154191 0.674034 O\n0.377732 0.154191 0.174034 O\n0.877732 0.845809 0.325966 O\n0.915754 0.281853 0.616656 O\n0.415754 0.718147 0.883344 O\n0.084246 0.718147 0.383344 O\n0.584246 0.281853 0.116656 O\n0.132404 0.850455 0.834150 O\n0.632404 0.149545 0.665850 O\n0.867596 0.149545 0.165850 O\n0.367596 0.850455 0.334150 O\n0.931215 0.711197 0.898712 O\n0.431215 0.288803 0.601288 O\n0.068785 0.288803 0.101288 O\n0.568785 0.711197 0.398712 O\n0.637362 0.445779 0.576592 O\n0.137362 0.554221 0.923408 O\n0.362638 0.554221 0.423408 O\n0.862638 0.445779 0.076592 O\n0.882752 0.605299 0.662984 O\n0.382752 0.394701 0.837016 O\n0.117248 0.394701 0.337016 O\n0.617248 0.605299 0.162984 O\n0.867084 0.424678 0.814980 O\n0.367084 0.575322 0.685020 O\n0.132916 0.575322 0.185020 O\n0.632916 0.424678 0.314980 O\n0.549291 0.611166 0.777808 O\n0.049291 0.388834 0.722192 O\n0.450709 0.388834 0.222192 O\n0.950709 0.611166 0.277808 O\n0.541501 0.360734 0.727317 O\n0.041501 0.639266 0.772683 O\n0.458499 0.639266 0.272683 O\n0.958499 0.360734 0.227317 O\n",
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