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{
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{
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{
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{
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"structure_string": "Nd4 Ni24 P10\n1.0\n3.671125 0.000000 0.000000\n0.000000 10.857604 0.000000\n0.000000 4.056576 12.510656\nNd Ni P\n4 24 10\ndirect\n0.250000 0.280050 0.682954 Nd\n0.750000 0.719950 0.317046 Nd\n0.250000 0.247509 0.187028 Nd\n0.750000 0.752491 0.812972 Nd\n0.250000 0.842600 0.135668 Ni\n0.750000 0.157400 0.864332 Ni\n0.250000 0.288026 0.438143 Ni\n0.750000 0.711974 0.561857 Ni\n0.250000 0.071547 0.014730 Ni\n0.750000 0.928453 0.985270 Ni\n0.250000 0.065860 0.447775 Ni\n0.750000 0.934140 0.552225 Ni\n0.250000 0.596096 0.695605 Ni\n0.750000 0.403904 0.304395 Ni\n0.250000 0.581932 0.008198 Ni\n0.750000 0.418068 0.991802 Ni\n0.250000 0.579252 0.509605 Ni\n0.750000 0.420748 0.490395 Ni\n0.250000 0.298535 0.918399 Ni\n0.750000 0.701465 0.081601 Ni\n0.250000 0.992576 0.659693 Ni\n0.750000 0.007424 0.340307 Ni\n0.250000 0.841875 0.438105 Ni\n0.750000 0.158125 0.561895 Ni\n0.250000 0.988464 0.849264 Ni\n0.750000 0.011536 0.150736 Ni\n0.250000 0.562561 0.203561 Ni\n0.750000 0.437439 0.796439 Ni\n0.250000 0.508229 0.870929 P\n0.750000 0.491771 0.129071 P\n0.250000 0.798771 0.983445 P\n0.750000 0.201229 0.016555 P\n0.250000 0.494153 0.378365 P\n0.750000 0.505847 0.621635 P\n0.250000 0.810678 0.611987 P\n0.750000 0.189322 0.388013 P\n0.250000 0.950028 0.259867 P\n0.750000 0.049972 0.740133 P\n",
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{
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"structure_string": "Sr4 Al2 Cu6 O14\n1.0\n5.223418 -0.001618 -1.202079\n-0.279168 5.154045 -1.199840\n0.054712 0.102748 12.116649\nSr Al Cu O\n4 2 6 14\ndirect\n0.332800 0.347084 0.697986 Sr\n0.637495 0.659455 0.302852 Sr\n0.832028 0.855907 0.697599 Sr\n0.138787 0.153010 0.302233 Sr\n0.987623 0.002033 0.000094 Al\n0.484038 0.492721 0.000698 Al\n0.259398 0.695531 0.500291 Cu\n0.760413 0.307288 0.500231 Cu\n0.921833 0.441312 0.880529 Cu\n0.046607 0.562919 0.119967 Cu\n0.422521 0.937127 0.880875 Cu\n0.549176 0.060629 0.120385 Cu\n0.104931 0.355470 0.500086 O\n0.603062 0.639824 0.500209 O\n0.249607 0.265283 0.889969 O\n0.363355 0.733528 0.107666 O\n0.749095 0.124438 0.893157 O\n0.868081 0.882233 0.110567 O\n0.604256 0.621798 0.892758 O\n0.719977 0.381092 0.111527 O\n0.102377 0.769238 0.889334 O\n0.221372 0.235564 0.107737 O\n0.311315 0.832945 0.660984 O\n0.651657 0.169475 0.338880 O\n0.810521 0.329068 0.661174 O\n0.152318 0.673289 0.339500 O\n",
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{
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"structure_string": "Li8 V6 P16 O58\n1.0\n9.760354 0.000000 0.000000\n-4.875018 8.460284 0.000000\n-0.079622 -0.066106 14.324517\nLi V P O\n8 6 16 58\ndirect\n0.907989 0.673558 0.444306 Li\n0.322350 0.234701 0.445994 Li\n0.332338 0.092834 0.938034 Li\n0.902551 0.232135 0.936736 Li\n0.765433 0.096939 0.443915 Li\n0.231204 0.320150 0.055962 Li\n0.929152 0.916908 0.982693 Li\n0.995109 0.991661 0.512521 Li\n0.436378 0.998089 0.747053 V\n0.564561 0.000401 0.248800 V\n0.999939 0.565959 0.249266 V\n0.000229 0.437630 0.752718 V\n0.569986 0.568510 0.750569 V\n0.438582 0.437610 0.254403 V\n0.773683 0.689824 0.158380 P\n0.914551 0.690508 0.656679 P\n0.309834 0.223061 0.660170 P\n0.660990 0.329362 0.869579 P\n0.669708 0.332687 0.368729 P\n0.315070 0.089288 0.155130 P\n0.221603 0.917781 0.336067 P\n0.912944 0.227121 0.158156 P\n0.087721 0.782395 0.837447 P\n0.777496 0.089131 0.657105 P\n0.697264 0.914642 0.835942 P\n0.333703 0.661960 0.635303 P\n0.330102 0.664626 0.135097 P\n0.695380 0.780901 0.340275 P\n0.084947 0.306985 0.339347 P\n0.228280 0.315334 0.840512 P\n0.797015 0.793715 0.421664 O\n0.743031 0.659591 0.672366 O\n0.004731 0.801204 0.918128 O\n0.913768 0.655758 0.174278 O\n0.618208 0.533650 0.172473 O\n0.662467 0.475048 0.821148 O\n0.464758 0.381697 0.671317 O\n0.233744 0.230721 0.927621 O\n0.338268 0.257681 0.166927 O\n0.815148 0.486869 0.328770 O\n0.915160 0.535659 0.668628 O\n0.514166 0.323434 0.330766 O\n0.641307 0.322063 0.972955 O\n0.674888 0.328745 0.472694 O\n0.511950 0.181456 0.824071 O\n0.907442 0.381706 0.175735 O\n0.812198 0.326688 0.837365 O\n0.343032 0.083099 0.670498 O\n0.197570 0.984752 0.237388 O\n0.210209 0.011031 0.414885 O\n0.245590 0.020277 0.062681 O\n0.474882 0.093942 0.176655 O\n0.675960 0.186425 0.325244 O\n0.264670 0.917857 0.836713 O\n0.618400 0.086305 0.672104 O\n0.913238 0.259083 0.674562 O\n0.017270 0.808023 0.740387 O\n0.976550 0.775758 0.566141 O\n0.989684 0.201885 0.417151 O\n0.084400 0.743154 0.339344 O\n0.383070 0.922844 0.326418 O\n0.743896 0.084388 0.168017 O\n0.339348 0.814790 0.681643 O\n0.544930 0.924880 0.828221 O\n0.804991 0.004608 0.915984 O\n0.790815 0.024252 0.565308 O\n0.791781 0.985181 0.739267 O\n0.659231 0.919919 0.338330 O\n0.183985 0.665879 0.183550 O\n0.080616 0.621006 0.828424 O\n0.477386 0.814879 0.181355 O\n0.323304 0.669605 0.032141 O\n0.339652 0.672167 0.532290 O\n0.484689 0.666658 0.680092 O\n0.079648 0.462106 0.327597 O\n0.191607 0.519705 0.680997 O\n0.658086 0.740526 0.836071 O\n0.793074 0.802877 0.246162 O\n0.792191 0.778876 0.072205 O\n0.537414 0.622445 0.329946 O\n0.326632 0.514476 0.173999 O\n0.382931 0.471642 0.825062 O\n0.084018 0.340033 0.843486 O\n0.990665 0.230865 0.067072 O\n0.015874 0.212217 0.240581 O\n0.258473 0.342436 0.342482 O\n0.221146 0.202847 0.570734 O\n0.201107 0.205325 0.749438 O\n",
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{
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{
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{
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{
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{
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"structure_string": "Mg3 Ti1 H8\n1.0\n4.624149 0.000000 0.000000\n0.000000 4.624149 0.000000\n0.000000 0.000000 4.624149\nMg Ti H\n3 1 8\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ti\n0.243175 0.243175 0.756825 H\n0.243175 0.756825 0.243175 H\n0.756825 0.243175 0.243175 H\n0.756825 0.756825 0.756825 H\n0.756825 0.756825 0.243175 H\n0.756825 0.243175 0.756825 H\n0.243175 0.756825 0.756825 H\n0.243175 0.243175 0.243175 H\n",
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"volume": 98.87704040704759,
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"formula_full": "Mg3 Ti1 H8",
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}