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{
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"structure_string": "K32 Li8 I8 O48\n1.0\n12.716773 0.000000 0.000000\n0.000000 9.876071 0.000000\n0.000000 0.000000 10.678318\nI K Li O\n8 32 8 48\ndirect\n0.392335 0.046507 0.238926 I\n0.107665 0.546507 0.238926 I\n0.892334 0.046507 0.261074 I\n0.607665 0.546507 0.261074 I\n0.392335 0.453491 0.738926 I\n0.107665 0.953492 0.738926 I\n0.892334 0.453491 0.761074 I\n0.607665 0.953492 0.761074 I\n0.073904 0.157131 0.026411 K\n0.426096 0.657132 0.026411 K\n0.890400 0.441295 0.066820 K\n0.609601 0.941293 0.066820 K\n0.314578 0.370057 0.083255 K\n0.185420 0.870058 0.083255 K\n0.685044 0.206985 0.182375 K\n0.814955 0.706985 0.182375 K\n0.185044 0.206985 0.317624 K\n0.314955 0.706985 0.317624 K\n0.814579 0.370057 0.416744 K\n0.685421 0.870058 0.416744 K\n0.390400 0.441295 0.433181 K\n0.109600 0.941293 0.433181 K\n0.573904 0.157131 0.473591 K\n0.926096 0.657132 0.473591 K\n0.073904 0.342869 0.526410 K\n0.426096 0.842869 0.526410 K\n0.890400 0.058705 0.566819 K\n0.609601 0.558705 0.566819 K\n0.314578 0.129943 0.583255 K\n0.185420 0.629944 0.583255 K\n0.685044 0.293015 0.682375 K\n0.814955 0.793016 0.682375 K\n0.185044 0.293015 0.817624 K\n0.314955 0.793016 0.817624 K\n0.814579 0.129943 0.916746 K\n0.685421 0.629944 0.916746 K\n0.390400 0.058705 0.933181 K\n0.109600 0.558705 0.933181 K\n0.573904 0.342869 0.973591 K\n0.926096 0.842869 0.973591 K\n0.990162 0.301484 0.248494 Li\n0.509838 0.801485 0.248494 Li\n0.490162 0.301484 0.251507 Li\n0.009838 0.801485 0.251507 Li\n0.990162 0.198516 0.748493 Li\n0.509838 0.698516 0.748493 Li\n0.490162 0.198516 0.751506 Li\n0.009838 0.698516 0.751506 Li\n0.487087 0.149382 0.136355 O\n0.012914 0.649383 0.136355 O\n0.279962 0.108079 0.137053 O\n0.220037 0.608079 0.137053 O\n0.099809 0.384983 0.139553 O\n0.400190 0.884984 0.139553 O\n0.701628 0.464957 0.147390 O\n0.798372 0.964957 0.147390 O\n0.890260 0.202380 0.154777 O\n0.609740 0.702381 0.154777 O\n0.488453 0.472734 0.174228 O\n0.011548 0.972734 0.174228 O\n0.988453 0.472734 0.325773 O\n0.511548 0.972734 0.325773 O\n0.390260 0.202380 0.345223 O\n0.109740 0.702381 0.345223 O\n0.201628 0.464957 0.352610 O\n0.298372 0.964957 0.352610 O\n0.599809 0.384983 0.360447 O\n0.900190 0.884984 0.360447 O\n0.779962 0.108079 0.362946 O\n0.720037 0.608079 0.362946 O\n0.987087 0.149382 0.363645 O\n0.512914 0.649383 0.363645 O\n0.487087 0.350617 0.636355 O\n0.012914 0.850617 0.636355 O\n0.279962 0.391921 0.637054 O\n0.220037 0.891921 0.637054 O\n0.099809 0.115017 0.639553 O\n0.400190 0.615017 0.639553 O\n0.701628 0.035043 0.647390 O\n0.798372 0.535044 0.647390 O\n0.890260 0.297620 0.654777 O\n0.609740 0.797621 0.654777 O\n0.488453 0.027266 0.674227 O\n0.011548 0.527266 0.674227 O\n0.988453 0.027266 0.825772 O\n0.511548 0.527266 0.825772 O\n0.390260 0.297620 0.845222 O\n0.109740 0.797621 0.845222 O\n0.201628 0.035043 0.852609 O\n0.298372 0.535044 0.852609 O\n0.599809 0.115017 0.860447 O\n0.900190 0.615017 0.860447 O\n0.779962 0.391921 0.862946 O\n0.720037 0.891921 0.862946 O\n0.987087 0.350617 0.863645 O\n0.512914 0.850617 0.863645 O\n",
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{
"id": "oqmd-684928",
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"structure_string": "Sr18 Mg76\n1.0\n10.488955 0.000000 0.000000\n-5.244477 9.083701 0.000000\n0.000000 0.000000 27.903063\nMg Sr\n76 18\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.333333 0.666667 0.043244 Mg\n0.467571 0.233786 0.054496 Mg\n0.766214 0.233786 0.054496 Mg\n0.766214 0.532429 0.054496 Mg\n0.011882 0.505941 0.118292 Mg\n0.494059 0.505941 0.118292 Mg\n0.494059 0.988118 0.118292 Mg\n0.666667 0.333333 0.149090 Mg\n0.335182 0.167591 0.153454 Mg\n0.832409 0.167591 0.153454 Mg\n0.832409 0.664818 0.153454 Mg\n0.000000 0.000000 0.157333 Mg\n0.333333 0.666667 0.158929 Mg\n0.169730 0.339460 0.189537 Mg\n0.169730 0.830270 0.189537 Mg\n0.660540 0.830270 0.189537 Mg\n0.196984 0.098492 0.250000 Mg\n0.901508 0.098492 0.250000 Mg\n0.901508 0.803016 0.250000 Mg\n0.169730 0.339460 0.310463 Mg\n0.169730 0.830270 0.310463 Mg\n0.660540 0.830270 0.310463 Mg\n0.333333 0.666667 0.341071 Mg\n0.000000 0.000000 0.342667 Mg\n0.335182 0.167591 0.346546 Mg\n0.832409 0.167591 0.346546 Mg\n0.832409 0.664818 0.346546 Mg\n0.666667 0.333333 0.350910 Mg\n0.011882 0.505941 0.381708 Mg\n0.494059 0.505941 0.381708 Mg\n0.494059 0.988118 0.381708 Mg\n0.467571 0.233786 0.445504 Mg\n0.766214 0.233786 0.445504 Mg\n0.766214 0.532429 0.445504 Mg\n0.333333 0.666667 0.456756 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.666667 0.333333 0.543244 Mg\n0.233786 0.467571 0.554496 Mg\n0.233786 0.766214 0.554496 Mg\n0.532429 0.766214 0.554496 Mg\n0.505941 0.011882 0.618292 Mg\n0.505941 0.494059 0.618292 Mg\n0.988118 0.494059 0.618292 Mg\n0.333333 0.666667 0.649090 Mg\n0.167591 0.335182 0.653454 Mg\n0.167591 0.832409 0.653454 Mg\n0.664818 0.832409 0.653454 Mg\n0.000000 0.000000 0.657333 Mg\n0.666667 0.333333 0.658929 Mg\n0.339460 0.169730 0.689537 Mg\n0.830270 0.169730 0.689537 Mg\n0.830270 0.660540 0.689537 Mg\n0.098492 0.196984 0.750000 Mg\n0.098492 0.901508 0.750000 Mg\n0.803016 0.901508 0.750000 Mg\n0.339460 0.169730 0.810463 Mg\n0.830270 0.169730 0.810463 Mg\n0.830270 0.660540 0.810463 Mg\n0.666667 0.333333 0.841071 Mg\n0.000000 0.000000 0.842667 Mg\n0.167591 0.335182 0.846546 Mg\n0.167591 0.832409 0.846546 Mg\n0.664818 0.832409 0.846546 Mg\n0.333333 0.666667 0.850910 Mg\n0.505941 0.011882 0.881708 Mg\n0.505941 0.494059 0.881708 Mg\n0.988118 0.494059 0.881708 Mg\n0.233786 0.467571 0.945504 Mg\n0.233786 0.766214 0.945504 Mg\n0.532429 0.766214 0.945504 Mg\n0.666667 0.333333 0.956756 Mg\n0.137678 0.275357 0.062309 Sr\n0.137678 0.862322 0.062309 Sr\n0.724643 0.862322 0.062309 Sr\n0.523737 0.047473 0.250000 Sr\n0.523737 0.476263 0.250000 Sr\n0.952527 0.476263 0.250000 Sr\n0.137678 0.275357 0.437691 Sr\n0.137678 0.862322 0.437691 Sr\n0.724643 0.862322 0.437691 Sr\n0.275357 0.137678 0.562309 Sr\n0.862322 0.137678 0.562309 Sr\n0.862322 0.724643 0.562309 Sr\n0.047473 0.523737 0.750000 Sr\n0.476263 0.523737 0.750000 Sr\n0.476263 0.952527 0.750000 Sr\n0.275357 0.137678 0.937691 Sr\n0.862322 0.137678 0.937691 Sr\n0.862322 0.724643 0.937691 Sr\n",
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{
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"created_at": "2022-09-04T15:45:51.973742Z",
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"structure_string": "Ca18 Al76\n1.0\n9.357393 0.000000 0.000000\n-4.678697 8.103740 0.000000\n0.000000 0.000000 24.737313\nAl Ca\n76 18\ndirect\n0.566146 0.132292 0.000000 Al\n0.566146 0.433854 0.000000 Al\n0.867709 0.433854 0.000000 Al\n0.328171 0.164086 0.059920 Al\n0.835915 0.164086 0.059920 Al\n0.835915 0.671829 0.059920 Al\n0.000000 0.000000 0.060434 Al\n0.666667 0.333334 0.094398 Al\n0.003789 0.501894 0.098114 Al\n0.498106 0.501894 0.098114 Al\n0.498105 0.996210 0.098114 Al\n0.333333 0.666666 0.099517 Al\n0.148024 0.296048 0.127771 Al\n0.148024 0.851976 0.127771 Al\n0.703952 0.851976 0.127771 Al\n0.000000 0.000000 0.190213 Al\n0.131739 0.565870 0.197415 Al\n0.434131 0.565870 0.197415 Al\n0.434131 0.868262 0.197415 Al\n0.166665 0.333330 0.250001 Al\n0.166665 0.833335 0.250001 Al\n0.666670 0.833335 0.250001 Al\n0.201595 0.100798 0.302602 Al\n0.899203 0.100798 0.302602 Al\n0.899202 0.798404 0.302602 Al\n0.333333 0.666666 0.309837 Al\n0.185309 0.370619 0.372240 Al\n0.185310 0.814690 0.372240 Al\n0.629380 0.814690 0.372240 Al\n0.000000 0.000000 0.400499 Al\n0.329516 0.164758 0.401887 Al\n0.835242 0.164758 0.401887 Al\n0.835242 0.670484 0.401887 Al\n0.666667 0.333334 0.405599 Al\n0.333333 0.666666 0.439573 Al\n0.005179 0.502589 0.440084 Al\n0.497410 0.502589 0.440084 Al\n0.497410 0.994821 0.440084 Al\n0.465632 0.232816 0.500000 Al\n0.767183 0.232816 0.500000 Al\n0.767184 0.534367 0.500000 Al\n0.005179 0.502589 0.559916 Al\n0.497410 0.502589 0.559916 Al\n0.497410 0.994821 0.559916 Al\n0.333333 0.666666 0.560427 Al\n0.666667 0.333334 0.594401 Al\n0.329516 0.164758 0.598113 Al\n0.835242 0.164758 0.598113 Al\n0.835242 0.670484 0.598113 Al\n0.000000 0.000000 0.599501 Al\n0.185309 0.370619 0.627760 Al\n0.185310 0.814690 0.627760 Al\n0.629380 0.814690 0.627760 Al\n0.333333 0.666666 0.690163 Al\n0.201595 0.100798 0.697399 Al\n0.899203 0.100798 0.697399 Al\n0.899202 0.798404 0.697399 Al\n0.166665 0.333330 0.749999 Al\n0.166665 0.833335 0.749999 Al\n0.666670 0.833335 0.749999 Al\n0.131739 0.565870 0.802586 Al\n0.434131 0.565870 0.802586 Al\n0.434131 0.868262 0.802586 Al\n0.000000 0.000000 0.809787 Al\n0.148024 0.296048 0.872229 Al\n0.148024 0.851976 0.872229 Al\n0.703952 0.851976 0.872229 Al\n0.333333 0.666666 0.900483 Al\n0.003789 0.501894 0.901887 Al\n0.498106 0.501894 0.901887 Al\n0.498105 0.996210 0.901887 Al\n0.666667 0.333334 0.905602 Al\n0.000000 0.000000 0.939566 Al\n0.328171 0.164086 0.940080 Al\n0.835915 0.164086 0.940080 Al\n0.835915 0.671829 0.940080 Al\n0.195347 0.390695 0.000000 Ca\n0.195347 0.804652 0.000000 Ca\n0.609305 0.804652 0.000000 Ca\n0.396806 0.198403 0.188326 Ca\n0.801597 0.198403 0.188326 Ca\n0.801598 0.603194 0.188326 Ca\n0.531741 0.063481 0.311689 Ca\n0.531740 0.468260 0.311689 Ca\n0.936520 0.468260 0.311689 Ca\n0.137976 0.275952 0.500000 Ca\n0.137975 0.862024 0.500000 Ca\n0.724049 0.862024 0.500000 Ca\n0.531741 0.063481 0.688310 Ca\n0.531740 0.468260 0.688310 Ca\n0.936520 0.468260 0.688310 Ca\n0.396806 0.198403 0.811674 Ca\n0.801597 0.198403 0.811674 Ca\n0.801598 0.603194 0.811674 Ca\n",
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{
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{
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