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{
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{
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{
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"structure_string": "Mg2 Co2 Si2 O10\n1.0\n4.997891 -0.281086 0.146753\n-1.507835 5.174268 -0.047670\n-1.410011 -2.242407 6.058182\nMg Co Si O\n2 2 2 10\ndirect\n0.370271 0.215189 0.772055 Mg\n0.638228 0.774648 0.257045 Mg\n0.004248 0.494919 0.514554 Co\n0.004251 0.494923 0.014554 Co\n0.703536 0.819021 0.760867 Si\n0.304959 0.170819 0.268244 Si\n0.702634 0.632462 0.923986 O\n0.994928 0.851807 0.669019 O\n0.305866 0.357384 0.105122 O\n0.013570 0.138033 0.360088 O\n0.592786 0.289360 0.487845 O\n0.304416 0.865225 0.132074 O\n0.415708 0.700489 0.541266 O\n0.704086 0.124619 0.897036 O\n0.899975 0.555234 0.266335 O\n0.108524 0.434607 0.762773 O\n",
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{
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"created_at": "2022-09-04T14:37:06.566811Z",
"updated_at": "2022-09-04T14:37:06.566832Z",
"structure_string": "Li4 Fe3 Cu1 O8\n1.0\n5.737081 -0.001054 -0.001668\n-2.867706 4.968949 0.001575\n-2.867153 -1.656265 4.699649\nLi Fe Cu O\n4 3 1 8\ndirect\n0.500105 0.000014 0.500020 Li\n0.499959 0.500000 0.500001 Li\n0.000029 0.500001 0.500002 Li\n0.000071 0.999987 0.499981 Li\n0.500044 0.000001 0.000000 Fe\n0.500048 0.500000 0.000004 Fe\n0.000046 0.500002 -0.000002 Fe\n0.000049 0.000000 0.000000 Cu\n0.482649 0.741302 0.223913 O\n0.498071 0.749007 0.774461 O\n0.974587 0.250987 0.225531 O\n0.974582 0.723581 0.225512 O\n0.025510 0.276420 0.774489 O\n0.025518 0.749023 0.774475 O\n0.502021 0.250986 0.225536 O\n0.517448 0.258699 0.776088 O\n",
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{
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"structure_string": "Ba4 Cd4 O8\n1.0\n3.697014 0.000000 0.000000\n-0.000000 6.222203 0.000000\n0.000000 0.000000 12.109988\nBa Cd O\n4 4 8\ndirect\n0.250000 0.394806 0.642532 Ba\n0.749999 0.605194 0.357468 Ba\n0.250000 0.894806 0.857468 Ba\n0.749999 0.105194 0.142532 Ba\n0.749999 0.904388 0.606783 Cd\n0.749999 0.404389 0.893218 Cd\n0.250000 0.095611 0.393218 Cd\n0.250000 0.595611 0.106783 Cd\n0.250000 0.276855 0.982214 O\n0.749999 0.723144 0.017787 O\n0.250000 0.776855 0.517787 O\n0.749999 0.223144 0.482213 O\n0.250000 0.858918 0.251753 O\n0.749999 0.641082 0.751753 O\n0.250000 0.358918 0.248247 O\n0.749999 0.141082 0.748247 O\n",
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{
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"created_at": "2022-09-04T14:37:06.316300Z",
"updated_at": "2022-09-04T14:37:06.316319Z",
"structure_string": "Rb2 V2 Cu4 S8\n1.0\n5.195113 -0.000000 -1.546222\n0.000000 7.371460 0.000000\n-0.005198 0.000000 9.483111\nRb V Cu S\n2 2 4 8\ndirect\n0.537933 0.750000 0.364084 Rb\n0.173848 0.250000 0.635916 Rb\n0.494029 0.750000 0.781890 V\n0.712139 0.250000 0.218110 V\n0.623461 0.500000 0.000000 Cu\n0.209461 0.250000 0.214010 Cu\n0.995451 0.750000 0.785990 Cu\n0.623461 0.000000 0.000000 Cu\n0.946569 0.005810 0.218288 S\n0.360263 0.750000 0.984538 S\n0.375726 0.250000 0.015462 S\n0.728281 0.505810 0.781712 S\n0.162659 0.750000 0.588996 S\n0.728281 0.994190 0.781712 S\n0.573663 0.250000 0.411004 S\n0.946569 0.494190 0.218288 S\n",
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{
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"created_at": "2022-09-04T14:37:12.219570Z",
"updated_at": "2022-09-04T14:37:12.219591Z",
"structure_string": "Mg2 Co4 S10\n1.0\n3.562566 0.000037 0.000000\n0.000067 6.392597 -0.000962\n0.000006 -0.000976 13.221327\nMg Co S\n2 4 10\ndirect\n0.749994 0.908886 0.249909 Mg\n0.250009 0.091114 0.750099 Mg\n0.250000 0.471414 0.101607 Co\n0.750002 0.528587 0.898393 Co\n0.750002 0.528558 0.601612 Co\n0.249999 0.471441 0.398387 Co\n0.750000 0.361455 0.749990 S\n0.250002 0.638547 0.250010 S\n0.749994 0.655389 0.053410 S\n0.250008 0.344613 0.946589 S\n0.749993 0.655385 0.446631 S\n0.250007 0.344615 0.553369 S\n0.249984 0.163784 0.331853 S\n0.750018 0.836218 0.668145 S\n0.750018 0.836228 0.831893 S\n0.249986 0.163772 0.168105 S\n",
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{
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"created_at": "2022-09-04T14:37:33.929428Z",
"updated_at": "2022-09-04T14:37:33.929454Z",
"structure_string": "Mo4 O12\n1.0\n3.711852 0.000000 0.000000\n0.000000 3.922015 0.000000\n0.000000 0.000000 14.075054\nMo O\n4 12\ndirect\n0.250001 0.426195 0.603651 Mo\n0.750000 0.573804 0.396348 Mo\n0.750000 0.926194 0.896348 Mo\n0.250001 0.073805 0.103651 Mo\n0.250001 0.466381 0.722375 O\n0.750000 0.533617 0.277626 O\n0.750000 0.966380 0.777625 O\n0.250001 0.033619 0.222375 O\n0.250001 0.499957 0.434098 O\n0.750000 0.500042 0.565903 O\n0.750000 -0.000042 0.065903 O\n0.250001 0.000042 0.934096 O\n0.250001 0.981493 0.587932 O\n0.750000 0.481494 0.912067 O\n0.750000 0.018506 0.412067 O\n0.250001 0.518505 0.087932 O\n",
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{
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"structure_string": "P2 I2 Cl12\n1.0\n9.317981 0.000000 0.000000\n0.000000 9.317981 -0.000000\n0.000000 -0.000000 5.573194\nP I Cl\n2 2 12\ndirect\n0.000000 0.000000 0.500000 P\n0.500000 0.500000 0.500000 P\n0.000000 0.500000 0.167896 I\n0.500000 0.000000 0.832104 I\n0.303383 0.803383 0.836153 Cl\n0.085939 0.145240 0.713560 Cl\n0.196617 0.303383 0.163846 Cl\n0.696617 0.196617 0.836153 Cl\n0.354760 0.414061 0.713560 Cl\n0.803383 0.696617 0.163846 Cl\n0.585939 0.354760 0.286440 Cl\n0.145240 0.914061 0.286440 Cl\n0.414061 0.645240 0.286440 Cl\n0.645240 0.585939 0.713560 Cl\n0.854760 0.085939 0.286440 Cl\n0.914061 0.854760 0.713560 Cl\n",
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"structure_string": "Ba4 Hg4 S8\n1.0\n4.251001 0.000000 0.000000\n0.000000 7.396571 0.000000\n0.000000 0.000000 14.514128\nBa Hg S\n4 4 8\ndirect\n0.000000 0.005991 0.898348 Ba\n0.000000 0.681071 0.609009 Ba\n0.000000 0.505990 0.101653 Ba\n0.000000 0.181071 0.390991 Ba\n0.500000 0.662704 0.353116 Hg\n0.500000 0.162704 0.646884 Hg\n0.500000 0.003634 0.143234 Hg\n0.500000 0.503634 0.856766 Hg\n0.500000 0.389507 0.530331 S\n0.500000 0.889507 0.469669 S\n0.000000 0.886882 0.224774 S\n0.000000 0.386882 0.775226 S\n0.500000 0.395395 0.261673 S\n0.500000 0.731217 0.983860 S\n0.500000 0.231217 0.016140 S\n0.500000 0.895395 0.738327 S\n",
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]
}