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{
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{
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"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.410149 0.000000 0.000000\n-1.705075 2.953234 -0.000003\n0.000000 -0.000036 38.552667\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333358 0.666716 0.330661 Te\n0.333353 0.666705 0.705945 Te\n0.333355 0.666708 0.232848 Te\n0.333352 0.666703 0.608958 Te\n0.333323 0.666642 0.093970 Mo\n0.666683 0.333364 0.657524 Mo\n0.333318 0.666634 0.469634 W\n0.666686 0.333370 0.281773 W\n0.666646 0.333290 0.426769 Se\n0.666648 0.333292 0.512598 Se\n0.666640 0.333279 0.055156 S\n0.666642 0.333281 0.132914 S\n",
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{
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"created_at": "2022-09-04T14:37:11.236615Z",
"updated_at": "2022-09-04T14:37:11.236637Z",
"structure_string": "Ba1 Al1 Co1 Cu1 O5\n1.0\n3.719208 0.000000 0.000000\n-0.000000 3.719208 0.000000\n-0.000000 0.000000 7.392953\nBa Al Co Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.972103 Ba\n0.000000 0.000000 0.462754 Al\n0.500000 0.500000 0.687054 Co\n0.500000 0.500000 0.255414 Cu\n0.000000 0.500000 0.632671 O\n0.500000 0.000000 0.632671 O\n0.000000 0.500000 0.302589 O\n0.500000 0.000000 0.302589 O\n0.500000 0.500000 0.940073 O\n",
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{
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"created_at": "2022-09-04T14:37:17.326586Z",
"updated_at": "2022-09-04T14:37:17.326605Z",
"structure_string": "Na2 Er2 P2 O8 F2\n1.0\n5.495460 0.003129 1.245911\n1.160302 5.371572 1.245911\n0.002741 0.002214 6.460225\nNa Er P O F\n2 2 2 8 2\ndirect\n0.705374 0.294626 0.500000 Na\n0.294626 0.705373 0.500000 Na\n0.283181 0.283181 0.116763 Er\n0.716819 0.716818 0.883238 Er\n0.846945 0.846945 0.276127 P\n0.153054 0.153054 0.723874 P\n0.983300 0.628966 0.153289 O\n0.371034 0.016699 0.846712 O\n0.020359 0.020359 0.271913 O\n0.979641 0.979640 0.728087 O\n0.741957 0.741956 0.510425 O\n0.258043 0.258043 0.489575 O\n0.016699 0.371034 0.846712 O\n0.628965 0.983300 0.153289 O\n0.519316 0.519315 0.189275 F\n0.480684 0.480684 0.810726 F\n",
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{
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"updated_at": "2022-09-04T14:37:05.774186Z",
"structure_string": "Sr2 Fe2 Se2 O1 F2\n1.0\n3.979795 0.000000 -0.835621\n-0.175456 3.975920 -0.835638\n-0.016158 -0.017006 9.818088\nSr Fe Se O F\n2 2 2 1 2\ndirect\n0.673661 0.673654 0.347322 Sr\n0.326339 0.326346 0.652677 Sr\n0.500002 0.000002 0.000003 Fe\n0.999999 0.499999 0.999998 Fe\n0.903567 0.903573 0.807133 Se\n0.096433 0.096426 0.192867 Se\n0.500000 0.500000 -0.000000 O\n0.750000 0.249998 0.500000 F\n0.249999 0.750001 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:37:05.844149Z",
"updated_at": "2022-09-04T14:37:05.844173Z",
"structure_string": "Al2 H4 Pb2 O4 F6\n1.0\n6.030958 -0.019018 -1.932715\n-1.849636 6.645838 -0.074849\n-0.028829 -0.002904 5.038718\nAl H Pb O F\n2 4 2 4 6\ndirect\n0.189398 0.672751 0.160066 Al\n0.810602 0.327249 0.839935 Al\n0.182748 0.468853 0.727372 H\n0.817252 0.531147 0.272629 H\n0.145196 0.858280 0.723652 H\n0.854803 0.141721 0.276349 H\n0.688089 0.806866 0.795987 Pb\n0.311911 0.193134 0.204014 Pb\n0.895407 0.142367 0.101460 O\n0.104593 0.857633 0.898541 O\n0.134350 0.447622 0.896871 O\n0.865650 0.552378 0.103130 O\n0.492710 0.766375 0.189878 F\n0.215636 0.864965 0.432093 F\n0.784364 0.135036 0.567909 F\n0.264858 0.511134 0.445821 F\n0.735141 0.488866 0.554180 F\n0.507289 0.233625 0.810123 F\n",
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{
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"structure_string": "Ba4 Y2 B4 Cl2 O12\n1.0\n0.000000 6.467086 0.040412\n5.345205 0.000000 0.000000\n0.000000 -1.222380 -11.251748\nBa Y B Cl O\n4 2 4 2 12\ndirect\n0.092246 0.750001 0.705861 Ba\n0.907755 0.250000 0.294139 Ba\n0.340720 0.750001 0.073961 Ba\n0.659280 0.250000 0.926040 Ba\n0.346771 0.750001 0.413422 Y\n0.653230 0.250000 0.586578 Y\n0.376646 0.250000 0.225984 B\n0.623355 0.750001 0.774016 B\n0.789386 0.750001 0.427032 B\n0.210614 0.250000 0.572969 B\n0.149324 0.250000 0.913206 Cl\n0.850676 0.750001 0.086794 Cl\n0.524449 0.250000 0.146945 O\n0.291631 0.471748 0.262726 O\n0.708369 0.971748 0.737274 O\n0.708369 0.528253 0.737274 O\n0.291631 0.028253 0.262726 O\n0.675045 0.530824 0.434626 O\n0.324955 0.030824 0.565374 O\n0.324955 0.469177 0.565374 O\n0.675045 0.969177 0.434626 O\n0.992221 0.750001 0.406118 O\n0.007780 0.250000 0.593882 O\n0.475552 0.750001 0.853055 O\n",
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"structure_string": "K3 Sb2 N2 O6 F7\n1.0\n5.211260 0.000000 -1.974173\n-0.098486 7.141436 -0.259974\n0.057708 0.010679 8.017548\nK Sb N O F\n3 2 2 6 7\ndirect\n0.782853 0.258348 0.565707 K\n0.217146 0.741653 0.434294 K\n0.500000 0.500000 0.000000 K\n0.098043 0.249375 0.196087 Sb\n0.901956 0.750626 0.803914 Sb\n0.410923 0.075311 0.821848 N\n0.589076 0.924690 0.178153 N\n0.608085 0.100444 0.216170 O\n0.381687 0.839200 0.157879 O\n0.618313 0.160801 0.842123 O\n0.223810 0.160801 0.842122 O\n0.776190 0.839200 0.157879 O\n0.391914 0.899557 0.783831 O\n0.088772 0.575474 0.696590 F\n0.392182 0.424526 0.303411 F\n0.607818 0.575474 0.696590 F\n0.781530 0.868085 0.563061 F\n0.911228 0.424526 0.303411 F\n0.218470 0.131916 0.436940 F\n-0.000000 0.500000 0.000000 F\n",
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{
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"structure_string": "Fe1 Cu1 As2 Pb1 O10\n1.0\n5.152600 -0.024901 -0.405313\n-2.257641 4.897731 -1.836764\n0.218500 -0.069695 7.788304\nFe Cu As Pb O\n1 1 2 1 10\ndirect\n-0.000000 -0.000001 0.500000 Fe\n0.500000 0.500000 0.500000 Cu\n0.597045 0.236055 0.775985 As\n0.402954 0.763944 0.224015 As\n0.000000 0.000000 0.000000 Pb\n0.852648 0.645398 0.435633 O\n0.147352 0.354601 0.564367 O\n0.700531 -0.009955 0.629463 O\n0.299469 0.009954 0.370537 O\n0.773300 0.952333 0.276016 O\n0.226700 0.047666 0.723984 O\n0.307794 0.469517 0.271893 O\n0.692205 0.530482 0.728107 O\n0.711879 0.295735 -0.001019 O\n0.288121 0.704265 0.001020 O\n",
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{
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"structure_string": "Ba1 Ca2 Mg1 Si2 O8\n1.0\n5.448987 0.000000 0.000000\n-2.724495 4.718961 0.000000\n-0.000000 -0.000000 6.838021\nBa Ca Mg Si O\n1 2 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.333334 0.666667 0.841093 Ca\n0.666667 0.333333 0.158907 Ca\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666667 0.272792 Si\n0.666667 0.333333 0.727208 Si\n0.333334 0.666667 0.509306 O\n0.666667 0.333333 0.490693 O\n0.646131 0.886572 0.174615 O\n0.113428 0.759557 0.174615 O\n0.240443 0.353870 0.174615 O\n0.353871 0.113427 0.825384 O\n0.886573 0.240443 0.825384 O\n0.759558 0.646130 0.825384 O\n",
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{
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"created_at": "2022-09-04T14:38:50.788261Z",
"updated_at": "2022-09-04T14:38:50.788297Z",
"structure_string": "Li1 Mn1 P3 H1 O10\n1.0\n5.883186 0.173034 1.906492\n0.068207 5.885335 1.906492\n0.069843 0.071099 6.439344\nLi Mn P H O\n1 1 3 1 10\ndirect\n0.104693 -0.104694 0.500000 Li\n0.321287 0.678712 -0.000000 Mn\n0.798207 0.559586 0.087641 P\n0.417676 0.582324 0.499999 P\n0.440413 0.201793 0.912357 P\n0.770735 0.229265 -0.000000 H\n0.644694 0.672398 0.933819 O\n0.299924 0.990024 0.000676 O\n0.380667 0.757772 0.627296 O\n0.674006 0.596893 0.338636 O\n0.696898 0.165035 0.876490 O\n0.834965 0.303101 0.123509 O\n0.403106 0.325994 0.661363 O\n0.242228 0.619333 0.372703 O\n0.009975 0.700076 -0.000677 O\n0.327601 0.355305 0.066180 O\n",
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]
}