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{
"id": "jvasp-87310",
"created_at": "2022-09-04T14:35:59.230077Z",
"updated_at": "2022-09-04T14:35:59.230097Z",
"structure_string": "Ca4 B10 H4 Cl2 O20\n1.0\n11.470728 0.000000 -0.000103\n0.003282 5.680419 3.166268\n0.003282 -5.680419 3.166268\nCa B H Cl O\n4 10 4 2 20\ndirect\n0.502188 0.756530 0.253390 Ca\n0.002187 0.253390 0.756530 Ca\n0.777006 0.370836 0.321318 Ca\n0.277006 0.321317 0.370836 Ca\n0.061599 0.803268 0.291809 B\n0.561599 0.291809 0.803268 B\n0.336950 0.251090 0.779289 B\n0.836950 0.779290 0.251090 B\n0.225500 0.639353 0.013688 B\n0.725500 0.013688 0.639353 B\n0.271901 0.922328 0.854014 B\n0.771901 0.854014 0.922329 B\n0.264457 0.852308 0.450232 B\n0.764457 0.450233 0.852309 B\n0.512538 0.715088 0.783604 H\n0.012538 0.783603 0.715087 H\n0.543083 -0.009537 -0.046901 H\n0.043083 -0.046902 -0.009537 H\n0.026911 0.393296 0.411543 Cl\n0.526911 0.411543 0.393296 Cl\n0.502587 0.856262 0.949722 O\n0.095912 0.627945 0.061091 O\n0.595912 0.061091 0.627946 O\n0.240856 0.876056 0.028311 O\n0.740856 0.028311 0.876057 O\n0.254829 0.427885 0.784190 O\n0.754829 0.784190 0.427885 O\n0.450298 0.368431 0.872204 O\n0.950298 0.872204 0.368431 O\n0.292833 0.161915 0.935813 O\n0.293239 0.654538 0.212072 O\n0.793238 0.212072 0.654538 O\n0.143723 0.941850 0.466893 O\n0.643723 0.466893 0.941850 O\n0.347709 0.051643 0.524487 O\n0.847709 0.524487 0.051644 O\n0.274592 0.752322 0.611203 O\n0.774592 0.611203 0.752322 O\n0.792833 0.935813 0.161915 O\n0.002587 0.949722 0.856262 O\n",
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{
"id": "jvasp-111712",
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"updated_at": "2022-09-04T14:38:41.084370Z",
"structure_string": "Zr12 Fe12 C4\n1.0\n7.236857 0.000000 4.178202\n2.412285 6.822975 4.178202\n0.000000 0.000000 8.356404\nZr Fe C\n12 12 4\ndirect\n0.800202 0.800202 0.199798 Zr\n0.449799 0.050201 0.050201 Zr\n0.050202 0.449799 0.449798 Zr\n0.050202 0.449799 0.050201 Zr\n0.050201 0.050201 0.449798 Zr\n0.449799 0.449799 0.050201 Zr\n0.449799 0.050201 0.449798 Zr\n0.199799 0.800202 0.800200 Zr\n0.199799 0.800202 0.199798 Zr\n0.800202 0.199799 0.800201 Zr\n0.199799 0.199799 0.800201 Zr\n0.800202 0.199799 0.199798 Zr\n0.427813 0.427813 0.427812 Fe\n0.822188 0.822188 0.822186 Fe\n0.822188 0.822188 0.533436 Fe\n0.822188 0.533438 0.822186 Fe\n0.533438 0.822188 0.822186 Fe\n0.427813 0.427813 0.716562 Fe\n0.625000 0.125000 0.624999 Fe\n0.716563 0.427813 0.427812 Fe\n0.625000 0.625000 0.624999 Fe\n0.625000 0.625000 0.124999 Fe\n0.125000 0.625000 0.624999 Fe\n0.427813 0.716563 0.427812 Fe\n0.125000 0.125000 0.625000 C\n0.625000 0.125000 0.125000 C\n0.125000 0.625000 0.124999 C\n0.125000 0.125000 0.125000 C\n",
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{
"id": "jvasp-98611",
"created_at": "2022-09-04T14:36:10.013711Z",
"updated_at": "2022-09-04T14:36:10.013731Z",
"structure_string": "Ga8 Fe8 O24\n1.0\n5.052611 0.000000 0.000000\n0.000000 8.735889 0.000000\n0.000000 0.000000 9.347316\nGa Fe O\n8 8 24\ndirect\n0.829706 0.849584 0.503213 Ga\n0.173372 0.846117 0.806847 Ga\n0.329706 0.650416 0.503213 Ga\n0.326628 0.346117 0.306847 Ga\n0.826628 0.153883 0.306847 Ga\n0.670294 0.349584 0.003213 Ga\n0.170294 0.150416 0.003213 Ga\n0.673372 0.653883 0.806847 Ga\n0.315730 0.664186 0.072481 Fe\n0.667656 0.043837 0.789236 Fe\n0.832344 0.543837 0.289236 Fe\n0.167656 0.456163 0.789236 Fe\n0.684270 0.335814 0.572481 Fe\n0.184270 0.164186 0.572481 Fe\n0.332344 0.956163 0.289236 Fe\n0.815730 0.835814 0.072481 Fe\n0.639394 0.676636 0.168827 O\n0.988147 0.670050 0.440759 O\n0.028665 0.013885 0.438088 O\n0.008372 0.311043 0.439342 O\n0.669880 -0.011194 0.197307 O\n0.829290 0.837062 0.703663 O\n0.508372 0.188957 0.439342 O\n0.488147 0.829950 0.440759 O\n0.860606 0.176636 0.668827 O\n0.971334 0.986115 0.938088 O\n0.329290 0.662938 0.703663 O\n0.471335 0.513885 0.938088 O\n0.169880 0.511194 0.197307 O\n0.330120 0.011194 0.697307 O\n0.830120 0.488806 0.697307 O\n0.139394 0.823364 0.168827 O\n0.670710 0.337062 0.203663 O\n0.528665 0.486115 0.438088 O\n0.011853 0.329950 0.940759 O\n0.491628 0.811043 0.939342 O\n0.170710 0.162938 0.203663 O\n0.511853 0.170050 0.940759 O\n0.360606 0.323364 0.668827 O\n-0.008372 0.688957 0.939342 O\n",
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},
{
"id": "jvasp-97004",
"created_at": "2022-09-04T14:36:11.091524Z",
"updated_at": "2022-09-04T14:36:11.091546Z",
"structure_string": "Rb6 Mn6 O12\n1.0\n6.541532 -0.000873 0.141080\n1.439716 7.394833 1.675665\n-0.017304 -0.003255 8.527656\nRb Mn O\n6 6 12\ndirect\n0.158407 0.113138 0.118500 Rb\n0.841594 0.886862 0.881501 Rb\n0.822737 0.873892 0.469489 Rb\n0.017450 0.456525 0.764726 Rb\n0.177264 0.126108 0.530512 Rb\n0.982551 0.543475 0.235275 Rb\n0.582860 0.319073 0.784851 Mn\n0.597617 0.320862 0.117515 Mn\n0.402384 0.679138 0.882487 Mn\n0.400211 0.674860 0.550143 Mn\n0.417141 0.680927 0.215150 Mn\n0.599790 0.325140 0.449859 Mn\n0.388918 0.384351 0.605041 O\n0.228000 0.779472 0.362784 O\n0.790492 0.236937 0.298398 O\n0.226687 0.770870 0.037246 O\n0.611083 0.615648 0.394960 O\n0.388106 0.381853 0.944818 O\n0.603218 0.628846 0.722180 O\n0.772001 0.220528 0.637217 O\n0.773314 0.229129 0.962755 O\n0.396783 0.371154 0.277821 O\n0.209509 0.763063 0.701604 O\n0.611895 0.618146 0.055183 O\n",
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"formula_full": "Rb6 Mn6 O12",
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},
{
"id": "jvasp-52226",
"created_at": "2022-09-04T14:36:56.593056Z",
"updated_at": "2022-09-04T14:36:56.593077Z",
"structure_string": "K4 I4 O8 F8\n1.0\n5.705548 0.000000 0.000000\n0.000000 8.639188 0.000000\n0.000000 0.000000 8.369901\nK I O F\n4 4 8 8\ndirect\n0.470355 0.265023 0.191517 K\n0.470355 0.765024 0.308483 K\n0.529645 0.265023 0.691517 K\n0.529645 0.765024 0.808483 K\n0.008687 0.020794 0.014162 I\n0.991314 0.520794 0.985838 I\n0.008687 0.520794 0.485838 I\n0.991314 0.020794 0.514162 I\n-0.109142 0.214635 0.024632 O\n0.850733 0.507698 0.792153 O\n0.850733 0.007698 0.707847 O\n-0.109142 0.714636 0.475368 O\n0.109142 0.214635 0.524632 O\n0.149268 0.507698 0.292153 O\n0.149268 0.007698 0.207847 O\n0.109142 0.714636 0.975368 O\n0.676355 0.594291 0.082211 F\n0.693797 0.934159 0.093052 F\n0.693797 0.434159 0.406948 F\n0.676355 0.094291 0.417790 F\n0.323645 0.594291 0.582210 F\n0.306203 0.934159 0.593052 F\n0.306203 0.434159 0.906948 F\n0.323645 0.094291 0.917790 F\n",
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{
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"created_at": "2022-09-04T14:37:27.202337Z",
"updated_at": "2022-09-04T14:37:27.202357Z",
"structure_string": "Na12 Co4 O12\n1.0\n0.000000 6.077555 -0.007087\n7.630060 0.000000 0.000000\n0.000000 -5.990251 -8.889366\nNa Co O\n12 4 12\ndirect\n0.609852 0.730962 0.727037 Na\n0.966759 0.842822 0.071681 Na\n0.201757 0.967047 0.456650 Na\n0.798244 0.467047 0.043350 Na\n0.390150 0.230962 0.772964 Na\n0.033242 0.342822 0.428320 Na\n0.966760 0.657178 0.571681 Na\n0.609852 0.769038 0.227036 Na\n0.201757 0.532953 0.956650 Na\n0.798245 0.032953 0.543351 Na\n0.033242 0.157178 0.928320 Na\n0.390149 0.269038 0.272964 Na\n0.711794 0.350701 0.644405 Co\n0.288208 0.850701 0.855596 Co\n0.711794 0.149299 0.144404 Co\n0.288207 0.649299 0.355596 Co\n0.750574 0.422188 0.814214 O\n0.437354 0.221977 0.509193 O\n0.981663 0.138077 0.123394 O\n0.018338 0.638077 0.376606 O\n0.562648 0.721977 0.990807 O\n0.249428 0.922188 0.685787 O\n0.750574 0.077812 0.314213 O\n0.437354 0.278023 0.009193 O\n0.981664 0.361923 0.623394 O\n0.018338 0.861923 0.876607 O\n0.562648 0.778023 0.490807 O\n0.249427 0.577812 0.185787 O\n",
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{
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"updated_at": "2022-09-04T14:38:06.974315Z",
"structure_string": "Ba8 Zr2 O12\n1.0\n5.237327 3.023772 4.340025\n-5.237327 3.023772 4.340025\n0.000000 -6.047543 4.340025\nBa Zr O\n8 2 12\ndirect\n0.111254 0.750000 0.388745 Ba\n0.249999 0.611254 0.888745 Ba\n0.611254 0.888745 0.250000 Ba\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.388745 0.111254 0.749999 Ba\n0.750000 0.388745 0.111254 Ba\n0.888745 0.249999 0.611254 Ba\n0.499999 0.499999 0.499999 Zr\n0.000000 0.000000 0.000000 Zr\n0.558225 0.226452 0.426133 O\n0.926133 0.726452 0.058225 O\n0.773547 0.573866 0.441774 O\n0.573866 0.441774 0.773547 O\n0.426133 0.558225 0.226452 O\n0.058225 0.926133 0.726452 O\n0.073866 0.273547 0.941774 O\n0.441774 0.773547 0.573866 O\n0.273547 0.941774 0.073866 O\n0.726452 0.058225 0.926133 O\n0.226452 0.426133 0.558225 O\n0.941774 0.073866 0.273547 O\n",
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{
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"structure_string": "Sc8 Cu8 O20\n1.0\n3.231736 0.000000 0.000000\n0.000000 10.542983 0.000000\n0.000000 0.000000 12.103181\nSc Cu O\n8 8 20\ndirect\n0.718001 0.460503 0.669325 Sc\n0.781779 0.789357 0.999576 Sc\n0.218223 0.210643 0.499576 Sc\n0.718223 0.289357 0.999576 Sc\n0.281778 0.710643 0.499576 Sc\n0.782001 0.960503 0.669325 Sc\n0.218000 0.039497 0.169325 Sc\n0.282000 0.539496 0.169325 Sc\n0.851794 0.760358 0.278597 Cu\n0.344919 0.009661 0.890742 Cu\n0.655082 0.990339 0.390742 Cu\n0.155082 0.509661 0.890742 Cu\n0.844919 0.490339 0.390742 Cu\n0.351794 0.739641 0.778597 Cu\n0.648208 0.260359 0.278597 Cu\n0.148207 0.239641 0.778597 Cu\n0.784073 0.669024 0.135815 O\n0.215928 0.330976 0.635815 O\n0.272707 0.918835 0.033612 O\n0.287341 0.681923 0.934842 O\n0.727294 0.081164 0.533612 O\n0.227293 0.418835 0.033612 O\n0.772708 0.581164 0.533612 O\n0.717376 0.932464 0.234860 O\n0.282625 0.067536 0.734860 O\n0.782626 0.432464 0.234860 O\n0.284072 0.830975 0.635815 O\n0.217376 0.567536 0.734860 O\n0.790673 0.375257 0.834630 O\n0.290672 0.124743 0.334630 O\n0.709329 0.875257 0.834630 O\n0.787341 0.818076 0.434842 O\n0.212660 0.181923 0.934842 O\n0.712660 0.318077 0.434842 O\n0.209329 0.624743 0.334630 O\n0.715929 0.169024 0.135815 O\n",
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{
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"created_at": "2022-09-04T14:37:34.355309Z",
"updated_at": "2022-09-04T14:37:34.355340Z",
"structure_string": "Pr4 B4 S12\n1.0\n6.024419 0.000000 0.000000\n0.000000 7.619293 0.000000\n0.000000 0.000000 8.982753\nPr B S\n4 4 12\ndirect\n0.928965 0.113554 0.433287 Pr\n0.071035 0.886446 0.933287 Pr\n0.428965 0.386446 0.933287 Pr\n0.571035 0.613553 0.433287 Pr\n0.403972 0.145943 0.604637 B\n0.596028 0.854057 0.104637 B\n0.903972 0.354057 0.104637 B\n0.096028 0.645942 0.604637 B\n0.595066 0.999147 0.945496 S\n0.404934 0.000852 0.445496 S\n0.635010 0.296200 0.636410 S\n0.364990 0.703800 0.136410 S\n0.135010 0.203800 0.136410 S\n0.836223 0.826013 0.225989 S\n0.336223 0.673986 0.725988 S\n0.663777 0.326014 0.225989 S\n0.904934 0.499147 0.945496 S\n0.163777 0.173986 0.725988 S\n0.864990 0.796200 0.636410 S\n0.095066 0.500852 0.445496 S\n",
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{
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"created_at": "2022-09-04T14:38:45.890427Z",
"updated_at": "2022-09-04T14:38:45.890449Z",
"structure_string": "Zr8 In4 Au8\n1.0\n7.618524 -0.000000 0.000000\n0.000000 7.618524 0.000000\n-0.000000 -0.000000 7.101968\nZr In Au\n8 4 8\ndirect\n0.145941 0.145941 -0.000000 Zr\n0.854059 0.854059 -0.000000 Zr\n0.645940 0.354059 0.500000 Zr\n0.354059 0.645940 0.500000 Zr\n0.695527 0.304472 -0.000000 Zr\n0.304472 0.695527 -0.000000 Zr\n0.804472 0.804472 0.500000 Zr\n0.195528 0.195528 0.500000 Zr\n-0.000000 0.500000 0.750000 In\n-0.000000 0.500000 0.250000 In\n0.500000 0.000000 0.750000 In\n0.500000 0.000000 0.250000 In\n0.370059 0.370059 0.205393 Au\n0.629941 0.629941 0.794608 Au\n0.629941 0.629941 0.205393 Au\n0.870058 0.129941 0.705393 Au\n0.870058 0.129941 0.294607 Au\n0.370059 0.370059 0.794608 Au\n0.129941 0.870058 0.294607 Au\n0.129941 0.870058 0.705393 Au\n",
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